diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 186e73dc5..77d535f41 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -79,6 +79,7 @@ variables: Abaqus: "$Abaqus2017" MSC: "$MSC2018_1" IntelMarc: "$IntelCompiler17_0" + IntelAbaqus: "$IntelCompiler16_4" # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++ Doxygen1_8_13: "Documentation/Doxygen/1.8.13" # ------------ Defaults ---------------------------------------------- @@ -150,6 +151,13 @@ Spectral_geometryPacking: - release ################################################################################################### +Post_AverageDown: + stage: postprocessing + script: averageDown/test.py + except: + - master + - release + Post_General: stage: postprocessing script: PostProcessing/test.py @@ -192,6 +200,13 @@ Post_ParaviewRelated: - master - release +Post_OrientationConversion: + stage: postprocessing + script: OrientationConversion/test.py + except: + - master + - release + ################################################################################################### Compile_Spectral_Intel: stage: compilePETScIntel @@ -242,6 +257,13 @@ Compile_Intel_Prepare: - release ################################################################################################### +Thermal: + stage: spectral + script: Thermal/test.py + except: + - master + - release + Spectral_PackedGeometry: stage: spectral script: Spectral_PackedGeometry/test.py @@ -351,13 +373,6 @@ Phenopowerlaw_singleSlip: - master - release -HybridIA: - stage: spectral - script: HybridIA/test.py - except: - - master - - release - TextureComponents: stage: spectral script: TextureComponents/test.py @@ -431,14 +446,6 @@ SpectralExample: only: - development -AbaqusExample: - stage: example - script: - - module load $IntelCompiler16_4 $Abaqus - - Abaqus_example/test.py - only: - - development - ################################################################################################### SpectralRuntime: stage: performance diff --git a/CMakeLists.txt b/CMakeLists.txt index ee376ef02..3aa49cd7a 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -47,7 +47,7 @@ linker: # CMake will execute each target in the ${petsc_config_makefile} # to acquire corresponding PETSc Variables. -find_program (MAKE_EXECUTABLE NAMES make gmake) +find_program (MAKE_EXECUTABLE NAMES gmake make) # Find the PETSc includes directory settings execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "includes" RESULT_VARIABLE PETSC_INCLUDES_RETURN @@ -280,7 +280,7 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") # ... for uninitialized variables. set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv") # ... initializes stack local variables to an unusual value to aid error detection - set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all0") + set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0") # ... capture all floating-point exceptions, sets -ftz automatically set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn") diff --git a/CONFIG b/CONFIG index e2d81a9a7..13b75a768 100644 --- a/CONFIG +++ b/CONFIG @@ -8,6 +8,6 @@ set DAMASK_NUM_THREADS = 4 set MSC_ROOT = /opt/msc set MARC_VERSION = 2018.1 -set ABAQUS_VERSION = 2018.1 +set ABAQUS_VERSION = 2017 set DAMASK_HDF5 = OFF diff --git a/PRIVATE b/PRIVATE index d3bc62220..e9f93abae 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit d3bc62220544da0a3198c521e0f73fa07898d357 +Subproject commit e9f93abaecafbfbf11072ae70bca213a7201ed38 diff --git a/VERSION b/VERSION index fe1629f5b..85ef1a02a 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-889-g47650e94 +v2.0.2-1107-g17716b4f diff --git a/env/DAMASK.csh b/env/DAMASK.csh index 07b4b6817..2e1dc979c 100644 --- a/env/DAMASK.csh +++ b/env/DAMASK.csh @@ -44,7 +44,6 @@ if ( $?prompt ) then echo "DAMASK $DAMASK_ROOT" echo "Spectral Solver $SOLVER" echo "Post Processing $PROCESSING" - echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" if ( $?PETSC_DIR) then echo "PETSc location $PETSC_DIR" endif @@ -52,8 +51,10 @@ if ( $?prompt ) then echo "MSC.Marc/Mentat $MSC_ROOT" endif echo + echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo `limit datasize` echo `limit stacksize` + echo endif setenv DAMASK_NUM_THREADS $DAMASK_NUM_THREADS diff --git a/env/DAMASK.sh b/env/DAMASK.sh index 663e9a4b3..e790ae3cc 100644 --- a/env/DAMASK.sh +++ b/env/DAMASK.sh @@ -88,6 +88,7 @@ if [ ! -z "$PS1" ]; then size=$(( 1024*$(ulimit -s) )); \ print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \ ['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))") + echo fi export DAMASK_NUM_THREADS diff --git a/env/DAMASK.zsh b/env/DAMASK.zsh index 43f682865..dbfde767d 100644 --- a/env/DAMASK.zsh +++ b/env/DAMASK.zsh @@ -81,6 +81,7 @@ if [ ! -z "$PS1" ]; then size=$(( 1024*$(ulimit -s) )); \ print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \ ['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))") + echo fi export DAMASK_NUM_THREADS diff --git a/examples/AbaqusStandard/Job_sx-px.inp b/examples/AbaqusStandard/Job_sx-px.inp deleted file mode 100644 index 12890dfdc..000000000 --- a/examples/AbaqusStandard/Job_sx-px.inp +++ /dev/null @@ -1,2832 +0,0 @@ -*Heading - stauchen -** Job name: Job_sx-px Model name: Model-1 -** Generated by: Abaqus/CAE 6.9-1 -*Preprint, echo=NO, model=NO, history=NO, contact=NO -** ---------------------------------------------------------------- -** -** PART INSTANCE: Part-sx -** -*Node - 1, 4.79746485, 1.4086628, 0. - 2, 4.20626783, 2.70320415, 0. - 3, 3.27430367, 3.7787478, 0. - 4, 2.077075, 4.54816008, 0. - 5, 0.711574197, 4.94910717, 0. - 6, -0.711574197, 4.94910717, 0. - 7, -2.077075, 4.54816008, 0. - 8, -3.27430367, 3.7787478, 0. - 9, -4.20626783, 2.70320415, 0. - 10, -4.79746485, 1.4086628, 0. - 11, -5., 0., 0. - 12, -4.79746485, -1.4086628, 0. - 13, 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937, 1276, 1275, 1257, 1256, 1211, 1210, 1192, 1191 - 938, 1259, 1260, 1299, 1280, 1194, 1195, 1234, 1215 - 939, 1278, 1279, 1262, 1263, 1213, 1214, 1197, 1198 - 940, 1299, 1260, 1279, 1288, 1234, 1195, 1214, 1223 - 941, 1280, 1284, 1258, 1295, 1215, 1219, 1193, 1230 - 942, 1282, 1269, 1272, 1285, 1217, 1204, 1207, 1220 - 943, 1285, 1272, 1273, 1286, 1220, 1207, 1208, 1221 - 944, 1273, 1274, 1297, 1286, 1208, 1209, 1232, 1221 - 945, 1270, 1283, 1275, 1276, 1205, 1218, 1210, 1211 - 946, 1284, 1280, 1299, 1290, 1219, 1215, 1234, 1225 - 947, 1275, 1283, 1297, 1274, 1210, 1218, 1232, 1209 - 948, 1289, 1290, 1299, 1288, 1224, 1225, 1234, 1223 - 949, 1285, 1286, 1290, 1289, 1220, 1221, 1225, 1224 - 950, 1292, 1291, 1267, 1277, 1227, 1226, 1202, 1212 - 951, 1242, 1241, 1291, 1292, 1177, 1176, 1226, 1227 - 952, 1293, 1294, 1250, 1249, 1228, 1229, 1185, 1184 - 953, 1295, 1252, 1251, 1296, 1230, 1187, 1186, 1231 - 954, 1300, 1287, 1281, 1282, 1235, 1222, 1216, 1217 - 955, 1317, 1360, 1323, 1318, 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974, 1359, 1358, 1324, 1361, 1294, 1293, 1259, 1296 - 975, 1313, 1312, 1327, 1326, 1248, 1247, 1262, 1261 - 976, 1312, 1311, 1328, 1327, 1247, 1246, 1263, 1262 - 977, 1311, 1310, 1329, 1328, 1246, 1245, 1264, 1263 - 978, 1310, 1309, 1330, 1329, 1245, 1244, 1265, 1264 - 979, 1309, 1308, 1331, 1330, 1244, 1243, 1266, 1265 - 980, 1308, 1307, 1357, 1331, 1243, 1242, 1292, 1266 - 981, 1334, 1333, 1305, 1304, 1269, 1268, 1240, 1239 - 982, 1304, 1303, 1337, 1334, 1239, 1238, 1272, 1269 - 983, 1303, 1302, 1338, 1337, 1238, 1237, 1273, 1272 - 984, 1341, 1321, 1320, 1335, 1276, 1256, 1255, 1270 - 985, 1335, 1349, 1355, 1348, 1270, 1284, 1290, 1283 - 986, 1353, 1344, 1343, 1352, 1288, 1279, 1278, 1287 - 987, 1302, 1301, 1339, 1338, 1237, 1236, 1274, 1273 - 988, 1351, 1362, 1348, 1355, 1286, 1297, 1283, 1290 - 989, 1352, 1365, 1354, 1353, 1287, 1300, 1289, 1288 - 990, 1341, 1340, 1322, 1321, 1276, 1275, 1257, 1256 - 991, 1324, 1325, 1364, 1345, 1259, 1260, 1299, 1280 - 992, 1343, 1344, 1327, 1328, 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1392, 1312, 1311, 1328, 1327 -1030, 1376, 1375, 1394, 1393, 1311, 1310, 1329, 1328 -1031, 1375, 1374, 1395, 1394, 1310, 1309, 1330, 1329 -1032, 1374, 1373, 1396, 1395, 1309, 1308, 1331, 1330 -1033, 1373, 1372, 1422, 1396, 1308, 1307, 1357, 1331 -1034, 1399, 1398, 1370, 1369, 1334, 1333, 1305, 1304 -1035, 1369, 1368, 1402, 1399, 1304, 1303, 1337, 1334 -1036, 1368, 1367, 1403, 1402, 1303, 1302, 1338, 1337 -1037, 1406, 1386, 1385, 1400, 1341, 1321, 1320, 1335 -1038, 1400, 1414, 1420, 1413, 1335, 1349, 1355, 1348 -1039, 1418, 1409, 1408, 1417, 1353, 1344, 1343, 1352 -1040, 1367, 1366, 1404, 1403, 1302, 1301, 1339, 1338 -1041, 1416, 1427, 1413, 1420, 1351, 1362, 1348, 1355 -1042, 1417, 1430, 1419, 1418, 1352, 1365, 1354, 1353 -1043, 1406, 1405, 1387, 1386, 1341, 1340, 1322, 1321 -1044, 1389, 1390, 1429, 1410, 1324, 1325, 1364, 1345 -1045, 1408, 1409, 1392, 1393, 1343, 1344, 1327, 1328 -1046, 1429, 1390, 1409, 1418, 1364, 1325, 1344, 1353 -1047, 1410, 1414, 1388, 1425, 1345, 1349, 1323, 1360 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1472, 1397, 1411, 1428, 1407 -1067, 1472, 1460, 1461, 1487, 1407, 1395, 1396, 1422 -1068, 1493, 1473, 1458, 1459, 1428, 1408, 1393, 1394 -1069, 1484, 1495, 1477, 1480, 1419, 1430, 1412, 1415 -1070, 1493, 1476, 1482, 1473, 1428, 1411, 1417, 1408 -1071, 1456, 1457, 1474, 1455, 1391, 1392, 1409, 1390 -1072, 1453, 1466, 1449, 1448, 1388, 1401, 1384, 1383 -1073, 1459, 1460, 1472, 1493, 1394, 1395, 1407, 1428 -1074, 1463, 1476, 1462, 1486, 1398, 1411, 1397, 1421 -1075, 1463, 1464, 1477, 1476, 1398, 1399, 1412, 1411 -1076, 1453, 1479, 1465, 1466, 1388, 1414, 1400, 1401 -1077, 1454, 1475, 1490, 1491, 1389, 1410, 1425, 1426 -1078, 1436, 1435, 1463, 1486, 1371, 1370, 1398, 1421 -1079, 1444, 1443, 1456, 1488, 1379, 1378, 1391, 1423 -1080, 1489, 1488, 1454, 1491, 1424, 1423, 1389, 1426 -1081, 1443, 1442, 1457, 1456, 1378, 1377, 1392, 1391 -1082, 1442, 1441, 1458, 1457, 1377, 1376, 1393, 1392 -1083, 1441, 1440, 1459, 1458, 1376, 1375, 1394, 1393 -1084, 1440, 1439, 1460, 1459, 1375, 1374, 1395, 1394 -1085, 1439, 1438, 1461, 1460, 1374, 1373, 1396, 1395 -1086, 1438, 1437, 1487, 1461, 1373, 1372, 1422, 1396 -1087, 1464, 1463, 1435, 1434, 1399, 1398, 1370, 1369 -1088, 1434, 1433, 1467, 1464, 1369, 1368, 1402, 1399 -1089, 1433, 1432, 1468, 1467, 1368, 1367, 1403, 1402 -1090, 1471, 1451, 1450, 1465, 1406, 1386, 1385, 1400 -1091, 1465, 1479, 1485, 1478, 1400, 1414, 1420, 1413 -1092, 1483, 1474, 1473, 1482, 1418, 1409, 1408, 1417 -1093, 1432, 1431, 1469, 1468, 1367, 1366, 1404, 1403 -1094, 1481, 1492, 1478, 1485, 1416, 1427, 1413, 1420 -1095, 1482, 1495, 1484, 1483, 1417, 1430, 1419, 1418 -1096, 1471, 1470, 1452, 1451, 1406, 1405, 1387, 1386 -1097, 1454, 1455, 1494, 1475, 1389, 1390, 1429, 1410 -1098, 1473, 1474, 1457, 1458, 1408, 1409, 1392, 1393 -1099, 1494, 1455, 1474, 1483, 1429, 1390, 1409, 1418 -1100, 1475, 1479, 1453, 1490, 1410, 1414, 1388, 1425 -1101, 1477, 1464, 1467, 1480, 1412, 1399, 1402, 1415 -1102, 1480, 1467, 1468, 1481, 1415, 1402, 1403, 1416 -1103, 1468, 1469, 1492, 1481, 1403, 1404, 1427, 1416 -1104, 1465, 1478, 1470, 1471, 1400, 1413, 1405, 1406 -1105, 1479, 1475, 1494, 1485, 1414, 1410, 1429, 1420 -1106, 1470, 1478, 1492, 1469, 1405, 1413, 1427, 1404 -1107, 1484, 1485, 1494, 1483, 1419, 1420, 1429, 1418 -1108, 1480, 1481, 1485, 1484, 1415, 1416, 1420, 1419 -1109, 1487, 1486, 1462, 1472, 1422, 1421, 1397, 1407 -1110, 1437, 1436, 1486, 1487, 1372, 1371, 1421, 1422 -1111, 1488, 1489, 1445, 1444, 1423, 1424, 1380, 1379 -1112, 1490, 1447, 1446, 1491, 1425, 1382, 1381, 1426 -1113, 1495, 1482, 1476, 1477, 1430, 1417, 1411, 1412 -1114, 1512, 1555, 1518, 1513, 1447, 1490, 1453, 1448 -1115, 1510, 1554, 1556, 1511, 1445, 1489, 1491, 1446 -1116, 1520, 1519, 1553, 1521, 1455, 1454, 1488, 1456 -1117, 1531, 1530, 1515, 1514, 1466, 1465, 1450, 1449 -1118, 1535, 1534, 1496, 1517, 1470, 1469, 1431, 1452 -1119, 1527, 1541, 1558, 1537, 1462, 1476, 1493, 1472 -1120, 1537, 1525, 1526, 1552, 1472, 1460, 1461, 1487 -1121, 1558, 1538, 1523, 1524, 1493, 1473, 1458, 1459 -1122, 1549, 1560, 1542, 1545, 1484, 1495, 1477, 1480 -1123, 1558, 1541, 1547, 1538, 1493, 1476, 1482, 1473 -1124, 1521, 1522, 1539, 1520, 1456, 1457, 1474, 1455 -1125, 1518, 1531, 1514, 1513, 1453, 1466, 1449, 1448 -1126, 1524, 1525, 1537, 1558, 1459, 1460, 1472, 1493 -1127, 1528, 1541, 1527, 1551, 1463, 1476, 1462, 1486 -1128, 1528, 1529, 1542, 1541, 1463, 1464, 1477, 1476 -1129, 1518, 1544, 1530, 1531, 1453, 1479, 1465, 1466 -1130, 1519, 1540, 1555, 1556, 1454, 1475, 1490, 1491 -1131, 1501, 1500, 1528, 1551, 1436, 1435, 1463, 1486 -1132, 1509, 1508, 1521, 1553, 1444, 1443, 1456, 1488 -1133, 1554, 1553, 1519, 1556, 1489, 1488, 1454, 1491 -1134, 1508, 1507, 1522, 1521, 1443, 1442, 1457, 1456 -1135, 1507, 1506, 1523, 1522, 1442, 1441, 1458, 1457 -1136, 1506, 1505, 1524, 1523, 1441, 1440, 1459, 1458 -1137, 1505, 1504, 1525, 1524, 1440, 1439, 1460, 1459 -1138, 1504, 1503, 1526, 1525, 1439, 1438, 1461, 1460 -1139, 1503, 1502, 1552, 1526, 1438, 1437, 1487, 1461 -1140, 1529, 1528, 1500, 1499, 1464, 1463, 1435, 1434 -1141, 1499, 1498, 1532, 1529, 1434, 1433, 1467, 1464 -1142, 1498, 1497, 1533, 1532, 1433, 1432, 1468, 1467 -1143, 1536, 1516, 1515, 1530, 1471, 1451, 1450, 1465 -1144, 1530, 1544, 1550, 1543, 1465, 1479, 1485, 1478 -1145, 1548, 1539, 1538, 1547, 1483, 1474, 1473, 1482 -1146, 1497, 1496, 1534, 1533, 1432, 1431, 1469, 1468 -1147, 1546, 1557, 1543, 1550, 1481, 1492, 1478, 1485 -1148, 1547, 1560, 1549, 1548, 1482, 1495, 1484, 1483 -1149, 1536, 1535, 1517, 1516, 1471, 1470, 1452, 1451 -1150, 1519, 1520, 1559, 1540, 1454, 1455, 1494, 1475 -1151, 1538, 1539, 1522, 1523, 1473, 1474, 1457, 1458 -1152, 1559, 1520, 1539, 1548, 1494, 1455, 1474, 1483 -1153, 1540, 1544, 1518, 1555, 1475, 1479, 1453, 1490 -1154, 1542, 1529, 1532, 1545, 1477, 1464, 1467, 1480 -1155, 1545, 1532, 1533, 1546, 1480, 1467, 1468, 1481 -1156, 1533, 1534, 1557, 1546, 1468, 1469, 1492, 1481 -1157, 1530, 1543, 1535, 1536, 1465, 1478, 1470, 1471 -1158, 1544, 1540, 1559, 1550, 1479, 1475, 1494, 1485 -1159, 1535, 1543, 1557, 1534, 1470, 1478, 1492, 1469 -1160, 1549, 1550, 1559, 1548, 1484, 1485, 1494, 1483 -1161, 1545, 1546, 1550, 1549, 1480, 1481, 1485, 1484 -1162, 1552, 1551, 1527, 1537, 1487, 1486, 1462, 1472 -1163, 1502, 1501, 1551, 1552, 1437, 1436, 1486, 1487 -1164, 1553, 1554, 1510, 1509, 1488, 1489, 1445, 1444 -1165, 1555, 1512, 1511, 1556, 1490, 1447, 1446, 1491 -1166, 1560, 1547, 1541, 1542, 1495, 1482, 1476, 1477 -*Nset, nset=Part-px__PickedSet4, generate - 781, 1560, 1 -*Elset, elset=Part-px__PickedSet4, generate - 584, 1166, 1 -** Section: Section-px -*Solid Section, elset=Part-px__PickedSet4, material=Material-px -, -*System -*Nset, nset=_PickedSet12, generate - 716, 780, 1 -*Nset, nset=_PickedSet12, generate -1496, 1560, 1 -*Elset, elset=_PickedSet12, generate - 531, 583, 1 -*Elset, elset=_PickedSet12, generate -1114, 1166, 1 -*Nset, nset=_PickedSet13, generate - 1, 65, 1 -*Nset, nset=_PickedSet13, generate -781, 845, 1 -*Elset, elset=_PickedSet13, generate - 1, 53, 1 -*Elset, elset=_PickedSet13, generate -584, 636, 1 -** -** MATERIALS -** -*Material, name=Material-px -*Depvar - 49, -*User Material, constants=2, unsymm -2.,2. -*Material, name=Material-sx -*Depvar - 49, -*User Material, constants=2, unsymm -1.,1. -** -** BOUNDARY CONDITIONS -** -** Name: unten Type: Displacement/Rotation -*Boundary -_PickedSet13, 1, 1 -_PickedSet13, 2, 2 -_PickedSet13, 3, 3 -_PickedSet13, 4, 4 -_PickedSet13, 5, 5 -_PickedSet13, 6, 6 -** ---------------------------------------------------------------- -** -** STEP: Step-1 -** -*Step, name=Step-1, nlgeom=YES, inc=10000 -drücken -*Static -0.01, 7., 0.0001, 1. -** -** BOUNDARY CONDITIONS -** -** Name: oben Type: Displacement/Rotation -*Boundary -_PickedSet12, 1, 1 -_PickedSet12, 2, 2 -_PickedSet12, 3, 3, -7.5 -_PickedSet12, 4, 4 -_PickedSet12, 5, 5 -_PickedSet12, 6, 6 -** -** OUTPUT REQUESTS -** -*Restart, write, frequency=0 -** -** FIELD OUTPUT: F-Output-1 -** -*Output, field, variable=PRESELECT -** -** HISTORY OUTPUT: H-Output-1 -** -*Output, history, variable=PRESELECT -*End Step diff --git a/examples/AbaqusStandard/SX_PX_compression.cae b/examples/AbaqusStandard/SX_PX_compression.cae deleted file mode 100644 index fed4472b3..000000000 Binary files a/examples/AbaqusStandard/SX_PX_compression.cae and /dev/null differ diff --git a/examples/AbaqusStandard/SX_PX_compression.jnl b/examples/AbaqusStandard/SX_PX_compression.jnl deleted file mode 100644 index 4e33e1fc7..000000000 --- a/examples/AbaqusStandard/SX_PX_compression.jnl +++ /dev/null @@ -1,23 +0,0 @@ -# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836 -from abaqus import * -upgradeMdb( - '/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression-6.9-1.cae' - , - '/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression.cae') -# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836 -from part import * -from material import * -from section import * -from assembly import * -from step import * -from interaction import * -from load import * -from mesh import * -from optimization import * -from job import * -from sketch import * -from visualization import * -from connectorBehavior import * -mdb.jobs['Job_sx-px'].setValues(description='compression', userSubroutine= - '$HOME/DAMASK/src/DAMASK_abaqus_std.f') -# Save by m.diehl on 2017_12_06-18.39.44; build 2017 2016_09_27-23.54.59 126836 diff --git a/examples/AbaqusStandard/material.config b/examples/AbaqusStandard/material.config deleted file mode 100644 index 52968f72a..000000000 --- a/examples/AbaqusStandard/material.config +++ /dev/null @@ -1,93 +0,0 @@ -#-------------------# - -#-------------------# - -[dummy] -mech none - -[poly] -mech isostrain -Nconstituents 10 - - - -#-------------------# - -#-------------------# - - -[Aluminum_001] -crystallite 1 -(constituent) phase 1 texture 1 fraction 1.0 - -[Aluminum_10] -crystallite 1 -(constituent) phase 1 texture 2 fraction 1.0 - -#-------------------# - -#-------------------# - -[orientation] -(output) eulerangles -(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) - -#-------------------# - -#-------------------# - - -[Aluminum_phenopowerlaw] -# slip only -elasticity hooke -plasticity phenopowerlaw - -(output) resistance_slip -(output) shearrate_slip -(output) resolvedstress_slip -(output) totalshear -(output) resistance_twin -(output) shearrate_twin -(output) resolvedstress_twin -(output) totalvolfrac - -lattice_structure fcc -Nslip 12 -Ntwin 0 - -c11 106.75e9 -c12 60.41e9 -c44 28.34e9 - -gdot0_slip 0.001 -n_slip 20 -tau0_slip 31e6 # per family -tausat_slip 63e6 # per family -a_slip 2.25 -gdot0_twin 0.001 -n_twin 20 -tau0_twin 31e6 # per family -s_pr 0 # push-up factor for slip saturation due to twinning -twin_b 0 -twin_c 0 -twin_d 0 -twin_e 0 -h0_slipslip 75e6 -h0_sliptwin 0 -h0_twinslip 0 -h0_twintwin 0 -interaction_slipslip 1 1 1.4 1.4 1.4 1.4 -interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -atol_resistance 1 - - -#-------------------# - -#-------------------# - -[001] -(gauss) phi1 0.000 Phi 45.000 phi2 0.000 scatter 0.000 fraction 1.000 - -[random] diff --git a/examples/AbaqusStandard/numerics.config b/examples/AbaqusStandard/numerics.config deleted file mode 100644 index 47091bf7f..000000000 --- a/examples/AbaqusStandard/numerics.config +++ /dev/null @@ -1 +0,0 @@ -fixed_seed 1697667030 diff --git a/lib/damask/orientation.py b/lib/damask/orientation.py index 7d97d2c81..d0e549b4b 100644 --- a/lib/damask/orientation.py +++ b/lib/damask/orientation.py @@ -27,15 +27,22 @@ class Rodrigues: # ****************************************************************************************** class Quaternion: - """ + u""" Orientation represented as unit quaternion. - All methods and naming conventions based on http://www.euclideanspace.com/maths/algebra/realNormedAlgebra/quaternions. + All methods and naming conventions based on Rowenhorst_etal2015 + Convention 1: coordinate frames are right-handed + Convention 2: a rotation angle ω is taken to be positive for a counterclockwise rotation + when viewing from the end point of the rotation axis unit vector towards the origin + Convention 3: rotations will be interpreted in the passive sense + Convention 4: Euler angle triplets are implemented using the Bunge convention, + with the angular ranges as [0, 2π],[0, π],[0, 2π] + Convention 5: the rotation angle ω is limited to the interval [0, π] w is the real part, (x, y, z) are the imaginary parts. - Representation of rotation is in ACTIVE form! - (Derived directly or through angleAxis, Euler angles, or active matrix) - Vector "a" (defined in coordinate system "A") is actively rotated to new coordinates "b". + + Vector "a" (defined in coordinate system "A") is passively rotated + resulting in new coordinates "b" when expressed in system "B". b = Q * a b = np.dot(Q.asMatrix(),a) """ @@ -309,10 +316,12 @@ class Quaternion: return np.outer([i for i in self],[i for i in self]) def asMatrix(self): - return np.array( - [[1.0-2.0*(self.y*self.y+self.z*self.z), 2.0*(self.x*self.y-self.z*self.w), 2.0*(self.x*self.z+self.y*self.w)], - [ 2.0*(self.x*self.y+self.z*self.w), 1.0-2.0*(self.x*self.x+self.z*self.z), 2.0*(self.y*self.z-self.x*self.w)], - [ 2.0*(self.x*self.z-self.y*self.w), 2.0*(self.x*self.w+self.y*self.z), 1.0-2.0*(self.x*self.x+self.y*self.y)]]) + qbarhalf = 0.5*(self.w**2 - self.x**2 - self.y**2 - self.z**2) + return 2.0*np.array( + [[ qbarhalf + self.x**2 , self.x*self.y - self.w*self.z, self.x*self.z + self.w*self.y], + [ self.x*self.y + self.w*self.z, qbarhalf + self.y**2 , self.y*self.z - self.w*self.x], + [ self.x*self.z - self.w*self.y, self.y*self.z + self.w*self.x, qbarhalf + self.z**2 ], + ]) def asAngleAxis(self, degrees = False): @@ -335,52 +344,23 @@ class Quaternion: return np.inf*np.ones(3) if self.w == 0.0 else np.array([self.x, self.y, self.z])/self.w def asEulers(self, - type = "bunge", - degrees = False, - standardRange = False): - """ - Orientation as Bunge-Euler angles. + degrees = False): + """Orientation as Bunge-Euler angles.""" + q03 = self.w**2+self.z**2 + q12 = self.x**2+self.y**2 + chi = np.sqrt(q03*q12) + + if abs(chi) < 1e-10 and abs(q12) < 1e-10: + eulers = np.array([math.atan2(-2*self.w*self.z,self.w**2-self.z**2),0,0]) + elif abs(chi) < 1e-10 and abs(q03) < 1e-10: + eulers = np.array([math.atan2( 2*self.x*self.y,self.x**2-self.y**2),np.pi,0]) + else: + eulers = np.array([math.atan2((self.x*self.z-self.w*self.y)/chi,(-self.w*self.x-self.y*self.z)/chi), + math.atan2(2*chi,q03-q12), + math.atan2((self.w*self.y+self.x*self.z)/chi,( self.y*self.z-self.w*self.x)/chi), + ]) - Conversion of ACTIVE rotation to Euler angles taken from: - Melcher, A.; Unser, A.; Reichhardt, M.; Nestler, B.; Poetschke, M.; Selzer, M. - Conversion of EBSD data by a quaternion based algorithm to be used for grain structure simulations - Technische Mechanik 30 (2010) pp 401--413. - """ - angles = [0.0,0.0,0.0] - - if type.lower() == 'bunge' or type.lower() == 'zxz': - if abs(self.x) < 1e-4 and abs(self.y) < 1e-4: - x = self.w**2 - self.z**2 - y = 2.*self.w*self.z - angles[0] = math.atan2(y,x) - elif abs(self.w) < 1e-4 and abs(self.z) < 1e-4: - x = self.x**2 - self.y**2 - y = 2.*self.x*self.y - angles[0] = math.atan2(y,x) - angles[1] = math.pi - else: - chi = math.sqrt((self.w**2 + self.z**2)*(self.x**2 + self.y**2)) - - x = (self.w * self.x - self.y * self.z)/2./chi - y = (self.w * self.y + self.x * self.z)/2./chi - angles[0] = math.atan2(y,x) - - x = self.w**2 + self.z**2 - (self.x**2 + self.y**2) - y = 2.*chi - angles[1] = math.atan2(y,x) - - x = (self.w * self.x + self.y * self.z)/2./chi - y = (self.z * self.x - self.y * self.w)/2./chi - angles[2] = math.atan2(y,x) - - if standardRange: - angles[0] %= 2*math.pi - if angles[1] < 0.0: - angles[1] += math.pi - angles[2] *= -1.0 - angles[2] %= 2*math.pi - - return np.degrees(angles) if degrees else angles + return np.degrees(eulers) if degrees else eulers # # Static constructors @@ -408,7 +388,7 @@ class Quaternion: halfangle = math.atan(np.linalg.norm(rodrigues)) c = math.cos(halfangle) w = c - x,y,z = c*rodrigues + x,y,z = rodrigues/c return cls([w,x,y,z]) @@ -431,24 +411,19 @@ class Quaternion: @classmethod def fromEulers(cls, eulers, - type = 'Bunge', degrees = False): if not isinstance(eulers, np.ndarray): eulers = np.array(eulers,dtype='d') eulers = np.radians(eulers) if degrees else eulers - c = np.cos(0.5 * eulers) - s = np.sin(0.5 * eulers) + sigma = 0.5*(eulers[0]+eulers[2]) + delta = 0.5*(eulers[0]-eulers[2]) + c = np.cos(0.5*eulers[1]) + s = np.sin(0.5*eulers[1]) - if type.lower() == 'bunge' or type.lower() == 'zxz': - w = c[0] * c[1] * c[2] - s[0] * c[1] * s[2] - x = c[0] * s[1] * c[2] + s[0] * s[1] * s[2] - y = - c[0] * s[1] * s[2] + s[0] * s[1] * c[2] - z = c[0] * c[1] * s[2] + s[0] * c[1] * c[2] - else: - w = c[0] * c[1] * c[2] - s[0] * s[1] * s[2] - x = s[0] * s[1] * c[2] + c[0] * c[1] * s[2] - y = s[0] * c[1] * c[2] + c[0] * s[1] * s[2] - z = c[0] * s[1] * c[2] - s[0] * c[1] * s[2] + w = c * np.cos(sigma) + x = -s * np.cos(delta) + y = -s * np.sin(delta) + z = -c * np.sin(sigma) return cls([w,x,y,z]) @@ -460,49 +435,16 @@ class Quaternion: if m.shape != (3,3) and np.prod(m.shape) == 9: m = m.reshape(3,3) - tr = np.trace(m) - if tr > 1e-8: - s = math.sqrt(tr + 1.0)*2.0 + w = 0.5*math.sqrt(1.+m[0,0]+m[1,1]+m[2,2]) + x = 0.5*math.sqrt(1.+m[0,0]-m[1,1]-m[2,2]) + y = 0.5*math.sqrt(1.-m[0,0]+m[1,1]-m[2,2]) + z = 0.5*math.sqrt(1.-m[0,0]-m[1,1]+m[2,2]) - return cls( - [ s*0.25, - (m[2,1] - m[1,2])/s, - (m[0,2] - m[2,0])/s, - (m[1,0] - m[0,1])/s, - ]) + x *= -1 if m[2,1] < m[1,2] else 1 + y *= -1 if m[0,2] < m[2,0] else 1 + z *= -1 if m[1,0] < m[0,1] else 1 - elif m[0,0] > m[1,1] and m[0,0] > m[2,2]: - t = m[0,0] - m[1,1] - m[2,2] + 1.0 - s = 2.0*math.sqrt(t) - - return cls( - [ (m[2,1] - m[1,2])/s, - s*0.25, - (m[0,1] + m[1,0])/s, - (m[2,0] + m[0,2])/s, - ]) - - elif m[1,1] > m[2,2]: - t = -m[0,0] + m[1,1] - m[2,2] + 1.0 - s = 2.0*math.sqrt(t) - - return cls( - [ (m[0,2] - m[2,0])/s, - (m[0,1] + m[1,0])/s, - s*0.25, - (m[1,2] + m[2,1])/s, - ]) - - else: - t = -m[0,0] - m[1,1] + m[2,2] + 1.0 - s = 2.0*math.sqrt(t) - - return cls( - [ (m[1,0] - m[0,1])/s, - (m[2,0] + m[0,2])/s, - (m[1,2] + m[2,1])/s, - s*0.25, - ]) + return cls( np.array([w,x,y,z])/math.sqrt(w**2 + x**2 + y**2 + z**2)) @classmethod @@ -663,7 +605,7 @@ class Symmetry: quaternion, who = []): """List of symmetrically equivalent quaternions based on own symmetry.""" - return [quaternion*q for q in self.symmetryQuats(who)] + return [q*quaternion for q in self.symmetryQuats(who)] def inFZ(self,R): @@ -829,7 +771,7 @@ class Orientation: else: self.quaternion = Quaternion.fromRandom(randomSeed=random) elif isinstance(Eulers, np.ndarray) and Eulers.shape == (3,): # based on given Euler angles - self.quaternion = Quaternion.fromEulers(Eulers,type='bunge',degrees=degrees) + self.quaternion = Quaternion.fromEulers(Eulers,degrees=degrees) elif isinstance(matrix, np.ndarray) : # based on given rotation matrix self.quaternion = Quaternion.fromMatrix(matrix) elif isinstance(angleAxis, np.ndarray) and angleAxis.shape == (4,): # based on given angle and rotation axis @@ -855,16 +797,15 @@ class Orientation: return 'Symmetry: %s\n' % (self.symmetry) + \ 'Quaternion: %s\n' % (self.quaternion) + \ 'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \ - 'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers('bunge',degrees=True))) ) + 'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers(degrees=True))) ) def asQuaternion(self): return self.quaternion.asList() def asEulers(self, - type = 'bunge', degrees = False, - standardRange = False): - return self.quaternion.asEulers(type, degrees, standardRange) + ): + return self.quaternion.asEulers(degrees) eulers = property(asEulers) def asRodrigues(self): @@ -912,13 +853,13 @@ class Orientation: """ if self.symmetry != other.symmetry: raise TypeError('disorientation between different symmetry classes not supported yet.') - misQ = self.quaternion.conjugated()*other.quaternion + misQ = other.quaternion*self.quaternion.conjugated() mySymQs = self.symmetry.symmetryQuats() if SST else self.symmetry.symmetryQuats()[:1] # take all or only first sym operation otherSymQs = other.symmetry.symmetryQuats() for i,sA in enumerate(mySymQs): for j,sB in enumerate(otherSymQs): - theQ = sA.conjugated()*misQ*sB + theQ = sB*misQ*sA.conjugated() for k in range(2): theQ.conjugate() breaker = self.symmetry.inFZ(theQ) \ @@ -929,7 +870,7 @@ class Orientation: # disorientation, own sym, other sym, self-->other: True, self<--other: False return (Orientation(quaternion = theQ,symmetry = self.symmetry.lattice), - i,j,k == 1) + i,j, k == 1) def inversePole(self, @@ -939,10 +880,10 @@ class Orientation: """Axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)""" if SST: # pole requested to be within SST for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions - pole = q.conjugated()*axis # align crystal direction to axis + pole = q*axis # align crystal direction to axis if self.symmetry.inSST(pole,proper): break # found SST version else: - pole = self.quaternion.conjugated()*axis # align crystal direction to axis + pole = self.quaternion*axis # align crystal direction to axis return (pole,i if SST else 0) @@ -951,7 +892,7 @@ class Orientation: color = np.zeros(3,'d') for q in self.symmetry.equivalentQuaternions(self.quaternion): - pole = q.conjugated()*axis # align crystal direction to axis + pole = q*axis # align crystal direction to axis inSST,color = self.symmetry.inSST(pole,color=True) if inSST: break diff --git a/processing/post/addMises.py b/processing/post/addMises.py index 55cf6552e..4719c2e35 100755 --- a/processing/post/addMises.py +++ b/processing/post/addMises.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python3 +#!/usr/bin/env python2.7 # -*- coding: UTF-8 no BOM -*- import os,sys,math diff --git a/processing/post/addOrientations.py b/processing/post/addOrientations.py index 22fe80c2e..b4bda4770 100755 --- a/processing/post/addOrientations.py +++ b/processing/post/addOrientations.py @@ -169,7 +169,7 @@ for name in filenames: for output in options.output: if output == 'quaternion': table.data_append(o.asQuaternion()) elif output == 'rodrigues': table.data_append(o.asRodrigues()) - elif output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees)) + elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees)) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- diff --git a/processing/post/addSchmidfactors.py b/processing/post/addSchmidfactors.py index be1d49bbd..9c5e9b0b4 100755 --- a/processing/post/addSchmidfactors.py +++ b/processing/post/addSchmidfactors.py @@ -190,27 +190,27 @@ if np.sum(input) != 1: parser.error('needs exactly one input format.') (options.quaternion,4,'quaternion'), ][np.where(input)[0][0]] # select input label that was requested -c_direction = np.zeros((len(slipSystems[options.lattice]),3),'f') -c_normal = np.zeros_like(c_direction) +slip_direction = np.zeros((len(slipSystems[options.lattice]),3),'f') +slip_normal = np.zeros_like(slip_direction) if options.lattice in latticeChoices[:2]: - c_direction = slipSystems[options.lattice][:,:3] - c_normal = slipSystems[options.lattice][:,3:] + slip_direction = slipSystems[options.lattice][:,:3] + slip_normal = slipSystems[options.lattice][:,3:] elif options.lattice == latticeChoices[2]: # convert 4 Miller index notation of hex to orthogonal 3 Miller index notation - for i in range(len(c_direction)): - c_direction[i] = np.array([slipSystems['hex'][i,0]*1.5, + for i in range(len(slip_direction)): + slip_direction[i] = np.array([slipSystems['hex'][i,0]*1.5, (slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3), slipSystems['hex'][i,3]*options.CoverA, ]) - c_normal[i] = np.array([slipSystems['hex'][i,4], + slip_normal[i] = np.array([slipSystems['hex'][i,4], (slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3), slipSystems['hex'][i,7]/options.CoverA, ]) -c_direction /= np.tile(np.linalg.norm(c_direction,axis=1),(3,1)).T -c_normal /= np.tile(np.linalg.norm(c_normal ,axis=1),(3,1)).T +slip_direction /= np.tile(np.linalg.norm(slip_direction,axis=1),(3,1)).T +slip_normal /= np.tile(np.linalg.norm(slip_normal ,axis=1),(3,1)).T # --- loop over input files ------------------------------------------------------------------------ @@ -244,7 +244,7 @@ for name in filenames: .format( id = i+1, normal = theNormal, direction = theDirection, - ) for i,(theNormal,theDirection) in enumerate(zip(c_normal,c_direction))]) + ) for i,(theNormal,theDirection) in enumerate(zip(slip_normal,slip_direction))]) table.head_write() # ------------------------------------------ process data ------------------------------------------ @@ -262,9 +262,9 @@ for name in filenames: elif inputtype == 'quaternion': o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),) - rotForce = o.quaternion.conjugated() * force - rotNormal = o.quaternion.conjugated() * normal - table.data_append(np.abs(np.sum(c_direction*rotForce,axis=1) * np.sum(c_normal*rotNormal,axis=1))) + + table.data_append( np.abs( np.sum(slip_direction * (o.quaternion * force) ,axis=1) \ + * np.sum(slip_normal * (o.quaternion * normal),axis=1))) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- diff --git a/processing/pre/seeds_fromRandom.py b/processing/pre/seeds_fromRandom.py index c1a7cbd4d..6ec221e25 100755 --- a/processing/pre/seeds_fromRandom.py +++ b/processing/pre/seeds_fromRandom.py @@ -127,7 +127,7 @@ options.fraction = np.array(options.fraction) options.grid = np.array(options.grid) gridSize = options.grid.prod() -if options.randomSeed is None: options.randomSeed = int(os.urandom(4).encode('hex'), 16) +if options.randomSeed is None: options.randomSeed = int(os.urandom(4).hex(), 16) np.random.seed(options.randomSeed) # init random generators random.seed(options.randomSeed) diff --git a/src/IO.f90 b/src/IO.f90 index a08f96439..a76959a44 100644 --- a/src/IO.f90 +++ b/src/IO.f90 @@ -33,7 +33,6 @@ module IO IO_write_jobIntFile, & IO_read_realFile, & IO_read_intFile, & - IO_hybridIA, & IO_isBlank, & IO_getTag, & IO_stringPos, & @@ -583,223 +582,6 @@ logical function IO_abaqus_hasNoPart(fileUnit) 620 end function IO_abaqus_hasNoPart #endif -!-------------------------------------------------------------------------------------------------- -!> @brief hybrid IA sampling of ODFfile -!-------------------------------------------------------------------------------------------------- -function IO_hybridIA(Nast,ODFfileName) - use prec, only: & - tol_math_check - - implicit none - integer(pInt), intent(in) :: Nast !< number of samples? - real(pReal), dimension(3,Nast) :: IO_hybridIA - character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path - -!-------------------------------------------------------------------------------------------------- -! math module is not available - real(pReal), parameter :: PI = 3.141592653589793_pReal - real(pReal), parameter :: INRAD = PI/180.0_pReal - - integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2 - integer(pInt), allocatable, dimension(:) :: chunkPos - integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction - integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located - integer(pInt), dimension(:), allocatable :: binSet - real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd - real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles - real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction - eulers !< euler angles when reading from file - real(pReal), dimension(:,:,:), allocatable :: dV_V - character(len=65536) :: line, keyword - integer(pInt) :: headerLength - integer(pInt), parameter :: FILEUNIT = 999_pInt - - IO_hybridIA = 0.0_pReal ! initialize return value for case of error - write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName) - write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008' - write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015' - - -!-------------------------------------------------------------------------------------------------- -! parse header of ODF file - call IO_open_file(FILEUNIT,ODFfileName) - headerLength = 0_pInt - line=IO_read(FILEUNIT) - chunkPos = IO_stringPos(line) - keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.)) - if (keyword(1:4) == 'head') then - headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt - else - call IO_error(error_ID=156_pInt, ext_msg='no header found') - endif - -!-------------------------------------------------------------------------------------------------- -! figure out columns containing data - do i = 1_pInt, headerLength-1_pInt - line=IO_read(FILEUNIT) - enddo - columns = 0_pInt - chunkPos = IO_stringPos(line) - do i = 1_pInt, chunkPos(1) - select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) ) - case ('phi1') - columns(1) = i - case ('phi') - columns(2) = i - case ('phi2') - columns(3) = i - case ('intensity') - columns(4) = i - end select - enddo - - if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header') - -!-------------------------------------------------------------------------------------------------- -! determine limits, number of steps and step size - limits(1,1:3) = 721.0_pReal - limits(2,1:3) = -1.0_pReal - steps = 0_pInt - - line=IO_read(FILEUNIT) - do while (trim(line) /= IO_EOF) - chunkPos = IO_stringPos(line) - eulers=[IO_floatValue(line,chunkPos,columns(1)),& - IO_floatValue(line,chunkPos,columns(2)),& - IO_floatValue(line,chunkPos,columns(3))] - steps = steps + merge(1,0,eulers>limits(2,1:3)) - limits(1,1:3) = min(limits(1,1:3),eulers) - limits(2,1:3) = max(limits(2,1:3),eulers) - line=IO_read(FILEUNIT) - enddo - - deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal) - - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3) - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3) - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas - - if (all(abs(limits(1,1:3)) < tol_math_check)) then - write(6,'(/,a,/)',advance='no') ' assuming vertex centered data' - center = 0.0_pReal ! no need to shift - if (any(mod(int(limits(2,1:3),pInt),90)==0)) & - call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary') - else - write(6,'(/,a,/)',advance='no') ' assuming cell centered data' - center = 0.5_pReal ! shift data by half of a bin - endif - - limits = limits*INRAD - deltas = deltas*INRAD - -!-------------------------------------------------------------------------------------------------- -! read in data - allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal) - sum_dV_V = 0.0_pReal - dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal) - NnonZero = 0_pInt - - call IO_checkAndRewind(FILEUNIT) ! forward - do i = 1_pInt, headerLength - line=IO_read(FILEUNIT) - enddo - - do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3) - line=IO_read(FILEUNIT) - chunkPos = IO_stringPos(line) - eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only - IO_floatValue(line,chunkPos,columns(2)),& - IO_floatValue(line,chunkPos,columns(3))]*INRAD - if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1 - call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order') - - prob = IO_floatValue(line,chunkPos,columns(4)) - if (prob > 0.0_pReal) then - NnonZero = NnonZero+1_pInt - sum_dV_V = sum_dV_V+prob - else - prob = 0.0_pReal - endif - dV_V(phi2,Phi,phi1) = prob*dg_0*sin((real(Phi-1_pInt,pReal)+center)*deltas(2)) - enddo; enddo; enddo - close(FILEUNIT) - dV_V = dV_V/sum_dV_V ! normalize to 1 - -!-------------------------------------------------------------------------------------------------- -! now fix bounds - Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much - lowerC = 0.0_pReal - upperC = real(Nset, pReal) - - do while (hybridIA_reps(dV_V,steps,upperC) < Nset) - lowerC = upperC - upperC = upperC*2.0_pReal - enddo - -!-------------------------------------------------------------------------------------------------- -! binary search for best C - do - C = (upperC+lowerC)/2.0_pReal - Nreps = hybridIA_reps(dV_V,steps,C) - if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then - C = upperC - Nreps = hybridIA_reps(dV_V,steps,C) - exit - elseif (Nreps < Nset) then - lowerC = C - elseif (Nreps > Nset) then - upperC = C - else - exit - endif - enddo - - allocate(binSet(Nreps)) - bin = 0_pInt ! bin counter - i = 1_pInt ! set counter - do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3) - reps = nint(C*dV_V(phi2,Phi,phi1), pInt) - binSet(i:i+reps-1) = bin - bin = bin+1_pInt ! advance bin - i = i+reps ! advance set - enddo; enddo; enddo - - do i=1_pInt,Nast - if (i < Nast) then - call random_number(rnd) - j = nint(rnd*real(Nreps-i,pReal)+real(i,pReal)+0.5_pReal,pInt) - else - j = i - endif - bin = binSet(j) - IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1 - IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi - IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2 - binSet(j) = binSet(i) - enddo - - contains - !-------------------------------------------------------------------------------------------------- - !> @brief counts hybrid IA repetitions - !-------------------------------------------------------------------------------------------------- - integer(pInt) pure function hybridIA_reps(dV_V,steps,C) - - implicit none - integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space - real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description - real(pReal), intent(in) :: C !< needs description - - integer(pInt) :: phi1,Phi,phi2 - - hybridIA_reps = 0_pInt - do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3) - hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt) - enddo; enddo; enddo - - end function hybridIA_reps - -end function IO_hybridIA - !-------------------------------------------------------------------------------------------------- !> @brief identifies strings without content @@ -1758,7 +1540,6 @@ integer(pInt) function IO_verifyIntValue (string,validChars,myName) validChars, & !< valid characters in string myName !< name of caller function (for debugging) integer(pInt) :: readStatus, invalidWhere - !character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1 IO_verifyIntValue = 0_pInt @@ -1788,7 +1569,6 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName) myName !< name of caller function (for debugging) integer(pInt) :: readStatus, invalidWhere - !character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1 IO_verifyFloatValue = 0.0_pReal diff --git a/src/constitutive.f90 b/src/constitutive.f90 index c4d2cacbf..eca8af08a 100644 --- a/src/constitutive.f90 +++ b/src/constitutive.f90 @@ -513,7 +513,7 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType of = phasememberAt(ipc,ip,el) instance = phase_plasticityInstance(material_phase(ipc,ip,el)) - call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of) + call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of) case (PLASTICITY_KINEHARDENING_ID) plasticityType call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el) @@ -525,9 +525,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), & - temperature(ho)%p(tme),ipc,ip,el) - dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget + of = phasememberAt(ipc,ip,el) + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) + call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of) case (PLASTICITY_DISLOUCLA_ID) plasticityType call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), & @@ -922,8 +922,9 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac call plastic_kinehardening_dotState(math_Mandel33to6(Mp),ipc,ip,el) case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), & - ipc,ip,el) + of = phasememberAt(ipc,ip,el) + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) + call plastic_dislotwin_dotState (Mp,temperature(ho)%p(tme),instance,of) case (PLASTICITY_DISLOUCLA_ID) plasticityType call plastic_disloucla_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), & @@ -1135,20 +1136,27 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el) case (PLASTICITY_ISOTROPIC_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_isotropic_postResults(S6,ipc,ip,el) + case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType of = phasememberAt(ipc,ip,el) instance = phase_plasticityInstance(material_phase(ipc,ip,el)) constitutive_postResults(startPos:endPos) = & plastic_phenopowerlaw_postResults(Mp,instance,of) + case (PLASTICITY_KINEHARDENING_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_kinehardening_postResults(S6,ipc,ip,el) + case (PLASTICITY_DISLOTWIN_ID) plasticityType + of = phasememberAt(ipc,ip,el) + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) constitutive_postResults(startPos:endPos) = & - plastic_dislotwin_postResults(S6,temperature(ho)%p(tme),ipc,ip,el) + plastic_dislotwin_postResults(Mp,temperature(ho)%p(tme),instance,of) + case (PLASTICITY_DISLOUCLA_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_disloucla_postResults(S6,temperature(ho)%p(tme),ipc,ip,el) + case (PLASTICITY_NONLOCAL_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_nonlocal_postResults (S6,FeArray,ip,el) diff --git a/src/lattice.f90 b/src/lattice.f90 index 996852a79..2b2a5641d 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -72,7 +72,7 @@ module lattice !-------------------------------------------------------------------------------------------------- ! face centered cubic integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: & - LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc + LATTICE_fcc_NslipSystem = int([12, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: & LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc @@ -104,11 +104,19 @@ module lattice 1, 1, 0, 1,-1,-1, & ! A6 0, 1, 1, -1, 1,-1, & ! D1 1, 0,-1, -1, 1,-1, & ! D4 - -1,-1, 0, -1, 1,-1 & ! D6 + -1,-1, 0, -1, 1,-1, & ! D6 + ! Slip system <110>{110} + 1, 1, 0, 1,-1, 0, & + 1,-1, 0, 1, 1, 0, & + 1, 0, 1, 1, 0,-1, & + 1, 0,-1, 1, 0, 1, & + 0, 1, 1, 0, 1,-1, & + 0, 1,-1, 0, 1, 1 & ],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli - character(len=*), dimension(1), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = & - ['<0 1 -1>{1 1 1}'] + character(len=*), dimension(2), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = & + ['<0 1 -1>{1 1 1}', & + '<0 1 -1>{0 1 1}'] real(pReal), dimension(3+3,LATTICE_fcc_Ntwin), parameter, private :: & LATTICE_fcc_systemTwin = reshape(real( [& @@ -166,25 +174,38 @@ module lattice integer(pInt), dimension(LATTICE_fcc_Nslip,lattice_fcc_Nslip), parameter, public :: & LATTICE_fcc_interactionSlipSlip = reshape(int( [& - 1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip - 2,1,2,6,4,5,5,4,6,5,3,5, & ! | - 2,2,1,5,5,3,5,6,4,6,5,4, & ! | - 4,6,5,1,2,2,4,5,6,3,5,5, & ! v slip - 6,4,5,2,1,2,5,3,5,5,4,6, & - 5,5,3,2,2,1,6,5,4,5,6,4, & - 3,5,5,4,5,6,1,2,2,4,6,5, & - 5,4,6,5,3,5,2,1,2,6,4,5, & - 5,6,4,6,5,4,2,2,1,5,5,3, & - 4,5,6,3,5,5,4,6,5,1,2,2, & - 5,3,5,5,4,6,6,4,5,2,1,2, & - 6,5,4,5,6,4,5,5,3,2,2,1 & - ],pInt),shape(LATTICE_FCC_INTERACTIONSLIPSLIP),order=[2,1]) !< Slip--slip interaction types for fcc + 1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! ---> slip + 2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! | + 2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! | + 4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v slip + 6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & + 5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, & + 3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, & + 5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, & + 5, 6, 4, 6, 5, 4, 2, 2, 1, 5, 5, 3, 12,11,10, 9, 9,10, & + 4, 5, 6, 3, 5, 5, 4, 6, 5, 1, 2, 2, 10, 9, 9,10,12,11, & + 5, 3, 5, 5, 4, 6, 6, 4, 5, 2, 1, 2, 10, 9,11,12,10, 9, & + 6, 5, 4, 5, 6, 4, 5, 5, 3, 2, 2, 1, 12,11, 9,10,10, 9, & + + 9, 9,11, 9, 9,11,10,10,12,10,10,12, 1, 7, 8, 8, 8, 8, & + 10,10,12,10,10,12, 9, 9,11, 9, 9,11, 7, 1, 8, 8, 8, 8, & + 9,11, 9,10,12,10,10,12,10, 9,11, 9, 8, 8, 1, 7, 8, 8, & + 10,12,10, 9,11, 9, 9,11, 9,10,12,10, 8, 8, 7, 1, 8, 8, & + 11, 9, 9,12,10,10,11, 9, 9,12,10,10, 8, 8, 8, 8, 1, 7, & + 12,10,10,11, 9, 9,12,10,10,11, 9, 9, 8, 8, 8, 8, 7, 1 & + ],pInt),[LATTICE_fcc_Nslip,LATTICE_fcc_Nslip],order=[2,1]) !< Slip--slip interaction types for fcc !< 1: self interaction !< 2: coplanar interaction !< 3: collinear interaction !< 4: Hirth locks !< 5: glissile junctions !< 6: Lomer locks + !< 7: crossing (similar to Hirth locks in <110>{111} for two {110} planes) + !< 8: similar to Lomer locks in <110>{111} for two {110} planes + !< 9: similar to Lomer locks in <110>{111} btw one {110} and one {111} plane + !<10: similar to glissile junctions in <110>{111} btw one {110} and one {111} plane + !<11: crossing btw one {110} and one {111} plane + !<12: collinear btw one {110} and one {111} plane integer(pInt), dimension(LATTICE_fcc_Nslip,LATTICE_fcc_Ntwin), parameter, public :: & LATTICE_fcc_interactionSlipTwin = reshape(int( [& 1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin @@ -198,7 +219,14 @@ module lattice 3,3,3,3,3,3,1,1,1,2,2,2, & 3,3,3,2,2,2,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, & - 3,3,3,3,3,3,2,2,2,1,1,1 & + 3,3,3,3,3,3,2,2,2,1,1,1, & + + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4 & ],pInt),shape(LATTICE_FCC_INTERACTIONSLIPTWIN),order=[2,1]) !< Slip--twin interaction types for fcc !< 1: coplanar interaction !< 2: screw trace between slip system and twin habit plane (easy cross slip) @@ -235,7 +263,14 @@ module lattice 3,3,3,3,3,3,1,1,1,2,2,2, & 3,3,3,2,2,2,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, & - 3,3,3,3,3,3,2,2,2,1,1,1 & + 3,3,3,3,3,3,2,2,2,1,1,1, & + + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4 & ],pInt),shape(LATTICE_FCCTOHEX_INTERACTIONSLIPTRANS),order=[2,1]) !< Slip--trans interaction types for fcc integer(pInt), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Nslip), parameter, public :: & diff --git a/src/material.f90 b/src/material.f90 index d54659acc..c9dd28079 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -169,18 +169,13 @@ module material homogenization_maxNgrains !< max number of grains in any USED homogenization integer(pInt), dimension(:), allocatable, public, protected :: & - material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt) phase_Nsources, & !< number of source mechanisms active in each phase phase_Nkinematics, & !< number of kinematic mechanisms active in each phase phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase phase_Noutput, & !< number of '(output)' items per phase phase_elasticityInstance, & !< instance of particular elasticity of each phase - phase_plasticityInstance !< instance of particular plasticity of each phase - - integer(pInt), dimension(:), allocatable, public, protected :: & - crystallite_Noutput !< number of '(output)' items per crystallite setting - - integer(pInt), dimension(:), allocatable, public, protected :: & + phase_plasticityInstance, & !< instance of particular plasticity of each phase + crystallite_Noutput, & !< number of '(output)' items per crystallite setting homogenization_Ngrains, & !< number of grains in each homogenization homogenization_Noutput, & !< number of '(output)' items per homogenization homogenization_typeInstance, & !< instance of particular type of each homogenization @@ -189,7 +184,7 @@ module material vacancyflux_typeInstance, & !< instance of particular type of each vacancy flux porosity_typeInstance, & !< instance of particular type of each porosity model hydrogenflux_typeInstance, & !< instance of particular type of each hydrogen flux - microstructure_crystallite !< crystallite setting ID of each microstructure + microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!! real(pReal), dimension(:), allocatable, public, protected :: & thermal_initialT, & !< initial temperature per each homogenization @@ -198,12 +193,27 @@ module material porosity_initialPhi, & !< initial posority per each homogenization hydrogenflux_initialCh !< initial hydrogen concentration per each homogenization +! NEW MAPPINGS + integer(pInt), dimension(:), allocatable, public, protected :: & + material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt) + material_homogenizationMemberAt, & !< position of the element within its homogenization instance + material_aggregateAt, & !< aggregate ID of each element FUTURE USE FOR OUTPUT + material_aggregatMemberAt !< position of the element within its aggregate instance FUTURE USE FOR OUTPUT + integer(pInt), dimension(:,:), allocatable, public, protected :: & + material_phaseAt, & !< phase ID of each element + material_phaseMemberAt, & !< position of the element within its phase instance + material_crystalliteAt, & !< crystallite ID of each element CURRENTLY NOT PER CONSTITUTENT + material_crystalliteMemberAt !< position of the element within its crystallite instance CURRENTLY NOT PER CONSTITUTENT +! END NEW MAPPINGS + +! DEPRECATED: use material_phaseAt integer(pInt), dimension(:,:,:), allocatable, public :: & material_phase !< phase (index) of each grain,IP,element -! BEGIN DEPRECATED: use material_homogenizationAt +! DEPRECATED: use material_homogenizationAt integer(pInt), dimension(:,:), allocatable, public :: & material_homog !< homogenization (index) of each IP,element ! END DEPRECATED + type(tPlasticState), allocatable, dimension(:), public :: & plasticState type(tSourceState), allocatable, dimension(:), public :: & @@ -227,10 +237,6 @@ module material microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs phase_localPlasticity !< flags phases with local constitutive law - - character(len=65536), dimension(:), allocatable, private :: & - texture_ODFfile !< name of each ODF file - integer(pInt), private :: & microstructure_maxNconstituents, & !< max number of constituents in any phase texture_maxNgauss, & !< max number of Gauss components in any texture @@ -258,11 +264,13 @@ module material logical, dimension(:), allocatable, private :: & homogenization_active +! BEGIN DEPRECATED integer(pInt), dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el) integer(pInt), dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el) - integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingCrystallite + integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field - integer(pInt), dimension(:,:), allocatable, public, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field + integer(pInt), dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field +! END DEPRECATED type(tHomogMapping), allocatable, dimension(:), public :: & thermalMapping, & !< mapping for thermal state/fields @@ -283,6 +291,7 @@ module material public :: & material_init, & + material_allocatePlasticState, & ELASTICITY_hooke_ID ,& PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & @@ -367,7 +376,6 @@ subroutine material_init() use mesh, only: & mesh_homogenizationAt, & mesh_NipsPerElem, & - mesh_maxNips, & mesh_NcpElems, & FE_geomtype @@ -377,11 +385,10 @@ subroutine material_init() integer(pInt) :: & g, & !< grain number i, & !< integration point number - e, & !< element number - phase - integer(pInt), dimension(:), allocatable :: ConstitutivePosition - integer(pInt), dimension(:), allocatable :: CrystallitePosition - integer(pInt), dimension(:), allocatable :: HomogenizationPosition + e !< element number + integer(pInt), dimension(:), allocatable :: & + CounterPhase, & + CounterHomogenization myDebug = debug_level(debug_material) @@ -472,30 +479,34 @@ subroutine material_init() call material_populateGrains - allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(mappingHomogenization (2, mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt) - allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt) +! BEGIN DEPRECATED + allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) +! END DEPRECATED - allocate(ConstitutivePosition (size(config_phase)), source=0_pInt) - allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt) - allocate(CrystallitePosition (size(config_phase)), source=0_pInt) + allocate(material_homogenizationAt,source=mesh_homogenizationAt) + allocate(CounterPhase (size(config_phase)), source=0_pInt) + allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt) - ElemLoop:do e = 1_pInt,mesh_NcpElems +! BEGIN DEPRECATED + do e = 1_pInt,mesh_NcpElems myHomog = mesh_homogenizationAt(e) - IPloop:do i = 1_pInt, mesh_NipsPerElem - HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt - mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog] - GrainLoop:do g = 1_pInt,homogenization_Ngrains(myHomog) - phase = material_phase(g,i,e) - ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase - phaseAt(g,i,e) = phase - phasememberAt(g,i,e) = ConstitutivePosition(phase) - enddo GrainLoop - enddo IPloop - enddo ElemLoop + do i = 1_pInt, mesh_NipsPerElem + CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt + mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog] + do g = 1_pInt,homogenization_Ngrains(myHomog) + myPhase = material_phase(g,i,e) + CounterPhase(myPhase) = CounterPhase(myPhase)+1_pInt ! not distinguishing between instances of same phase + phaseAt(g,i,e) = myPhase + phasememberAt(g,i,e) = CounterPhase(myPhase) + enddo + enddo + enddo +! END DEPRECATED +! REMOVE !!!!! ! hack needed to initialize field values used during constitutive and crystallite initializations do myHomog = 1,size(config_homogenization) thermalMapping (myHomog)%p => mappingHomogenizationConst @@ -512,7 +523,7 @@ subroutine material_init() allocate(vacancyConcRate (myHomog)%p(1), source=0.0_pReal) allocate(hydrogenConcRate(myHomog)%p(1), source=0.0_pReal) enddo - + end subroutine material_init @@ -936,9 +947,7 @@ subroutine material_parseTexture integer(pInt) :: section, gauss, fiber, j, t, i character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config integer(pInt), dimension(:), allocatable :: chunkPos - character(len=65536) :: tag - allocate(texture_ODFfile(size(config_texture))); texture_ODFfile='' allocate(texture_symmetry(size(config_texture)), source=1_pInt) allocate(texture_Ngauss(size(config_texture)), source=0_pInt) allocate(texture_Nfiber(size(config_texture)), source=0_pInt) @@ -984,9 +993,6 @@ subroutine material_parseTexture if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t) endif - tag='' - texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag) - if (config_texture(t)%keyExists('symmetry')) then select case (config_texture(t)%getString('symmetry')) case('orthotropic') @@ -1069,10 +1075,59 @@ subroutine material_parseTexture end subroutine material_parseTexture +!-------------------------------------------------------------------------------------------------- +!> @brief allocates the plastic state of a phase +!-------------------------------------------------------------------------------------------------- +subroutine material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,sizeDeltaState,& + Nslip,Ntwin,Ntrans) + use numerics, only: & + numerics_integrator2 => numerics_integrator ! compatibility hack + + implicit none + integer(pInt), intent(in) :: & + phase, & + NofMyPhase, & + sizeState, & + sizeDotState, & + sizeDeltaState, & + Nslip, & + Ntwin, & + Ntrans + integer(pInt) :: numerics_integrator ! compatibility hack + numerics_integrator = numerics_integrator2(1) ! compatibility hack + + plasticState(phase)%sizeState = sizeState + plasticState(phase)%sizeDotState = sizeDotState + plasticState(phase)%sizeDeltaState = sizeDeltaState + plasticState(phase)%Nslip = Nslip + plasticState(phase)%Ntwin = Ntwin + plasticState(phase)%Ntrans= Ntrans + + allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) + allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal) + + allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + if (numerics_integrator == 1_pInt) then + allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) + endif + if (numerics_integrator == 4_pInt) & + allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + if (numerics_integrator == 5_pInt) & + allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal) + + allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) + +end subroutine material_allocatePlasticState + + !-------------------------------------------------------------------------------------------------- !> @brief populates the grains !> @details populates the grains by identifying active microstructure/homogenization pairs, -!! calculates the volume of the grains and deals with texture components and hybridIA +!! calculates the volume of the grains and deals with texture components !-------------------------------------------------------------------------------------------------- subroutine material_populateGrains use prec, only: & @@ -1091,7 +1146,6 @@ subroutine material_populateGrains mesh_elemType, & mesh_homogenizationAt, & mesh_microstructureAt, & - mesh_maxNips, & mesh_NcpElems, & mesh_ipVolume, & FE_geomtype @@ -1102,8 +1156,7 @@ subroutine material_populateGrains homogenization_name, & microstructure_name use IO, only: & - IO_error, & - IO_hybridIA + IO_error use debug, only: & debug_level, & debug_material, & @@ -1131,12 +1184,11 @@ subroutine material_populateGrains myDebug = debug_level(debug_material) - allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) - allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_homogenizationAt,source=mesh_homogenizationAt) - allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal) + allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal) + allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal) allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt) allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt) @@ -1280,39 +1332,31 @@ subroutine material_populateGrains real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry) !-------------------------------------------------------------------------------------------------- -! ...has texture components - if (texture_ODFfile(textureID) == '') then - gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components - do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count - orientationOfGrain(:,grain+constituentGrain+g) = & - math_sampleGaussOri(texture_Gauss(1:3,t,textureID),& - texture_Gauss( 4,t,textureID)) - enddo - constituentGrain = & - constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent - enddo gauss +! has texture components + gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components + do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count + orientationOfGrain(:,grain+constituentGrain+g) = & + math_sampleGaussOri(texture_Gauss(1:3,t,textureID),& + texture_Gauss( 4,t,textureID)) + enddo + constituentGrain = & + constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent + enddo gauss - fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components - do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count - orientationOfGrain(:,grain+constituentGrain+g) = & - math_sampleFiberOri(texture_Fiber(1:2,t,textureID),& - texture_Fiber(3:4,t,textureID),& - texture_Fiber( 5,t,textureID)) - enddo - constituentGrain = & - constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent - enddo fiber + fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components + do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count + orientationOfGrain(:,grain+constituentGrain+g) = & + math_sampleFiberOri(texture_Fiber(1:2,t,textureID),& + texture_Fiber(3:4,t,textureID),& + texture_Fiber( 5,t,textureID)) + enddo + constituentGrain = & + constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent + enddo fiber - random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random - orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri() - enddo random -!-------------------------------------------------------------------------------------------------- -! ...has hybrid IA - else - orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = & - IO_hybridIA(myNorientations,texture_ODFfile(textureID)) - if (all(dEq(orientationOfGrain(1:3,grain+1_pInt),-1.0_pReal))) call IO_error(156_pInt) - endif + random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random + orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri() + enddo random !-------------------------------------------------------------------------------------------------- ! ...texture transformation @@ -1429,12 +1473,7 @@ subroutine material_populateGrains enddo microstructureLoop enddo homogenizationLoop - deallocate(volumeOfGrain) - deallocate(phaseOfGrain) - deallocate(textureOfGrain) - deallocate(orientationOfGrain) deallocate(texture_transformation) - deallocate(Nelems) deallocate(elemsOfHomogMicro) call config_deallocate('material.config/microstructure') diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 2ed8ebfdf..00534d251 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1,3 +1,8 @@ +!-------------------------------------------------------------------------------------------------- +!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH +!> @author Su Leen Wong, Max-Planck-Institut für Eisenforschung GmbH +!> @author Nan Jia, Max-Planck-Institut für Eisenforschung GmbH +!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine incoprorating dislocation and twinning physics !> @details to be done @@ -6,160 +11,147 @@ module plastic_dislotwin use prec, only: & pReal, & pInt - + implicit none private - integer(pInt), dimension(:), allocatable, public, protected :: & - plastic_dislotwin_sizePostResults !< cumulative size of post results - integer(pInt), dimension(:,:), allocatable, target, public :: & plastic_dislotwin_sizePostResult !< size of each post result output - character(len=64), dimension(:,:), allocatable, target, public :: & plastic_dislotwin_output !< name of each post result output - + real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin - integer(pInt), dimension(:), allocatable, target, public :: & - plastic_dislotwin_Noutput !< number of outputs per instance of this plasticity - - integer(pInt), dimension(:), allocatable, public, protected :: & - plastic_dislotwin_totalNslip, & !< total number of active slip systems for each instance - plastic_dislotwin_totalNtwin, & !< total number of active twin systems for each instance - plastic_dislotwin_totalNtrans !< number of active transformation systems - - integer(pInt), dimension(:,:), allocatable, private :: & - plastic_dislotwin_Nslip, & !< number of active slip systems for each family and instance - plastic_dislotwin_Ntwin, & !< number of active twin systems for each family and instance - plastic_dislotwin_Ntrans !< number of active transformation systems for each family and instance - - real(pReal), dimension(:), allocatable, private :: & - plastic_dislotwin_CAtomicVolume, & !< atomic volume in Bugers vector unit - plastic_dislotwin_D0, & !< prefactor for self-diffusion coefficient - plastic_dislotwin_Qsd, & !< activation energy for dislocation climb - plastic_dislotwin_GrainSize, & !< grain size - plastic_dislotwin_pShearBand, & !< p-exponent in shearband velocity - plastic_dislotwin_qShearBand, & !< q-exponent in shearband velocity - plastic_dislotwin_MaxTwinFraction, & !< maximum allowed total twin volume fraction - plastic_dislotwin_CEdgeDipMinDistance, & !< - plastic_dislotwin_Cmfptwin, & !< - plastic_dislotwin_Cthresholdtwin, & !< - plastic_dislotwin_SolidSolutionStrength, & !< Strength due to elements in solid solution - plastic_dislotwin_L0_twin, & !< Length of twin nuclei in Burgers vectors - plastic_dislotwin_L0_trans, & !< Length of trans nuclei in Burgers vectors - plastic_dislotwin_xc_twin, & !< critical distance for formation of twin nucleus - plastic_dislotwin_xc_trans, & !< critical distance for formation of trans nucleus - plastic_dislotwin_VcrossSlip, & !< cross slip volume - plastic_dislotwin_sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) - plastic_dislotwin_sbVelocity, & !< value for shearband velocity_0 - plastic_dislotwin_sbQedge, & !< value for shearband systems Qedge - plastic_dislotwin_SFE_0K, & !< stacking fault energy at zero K - plastic_dislotwin_dSFE_dT, & !< temperature dependance of stacking fault energy - plastic_dislotwin_dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful - plastic_dislotwin_aTolRho, & !< absolute tolerance for integration of dislocation density - plastic_dislotwin_aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction - plastic_dislotwin_aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction - plastic_dislotwin_deltaG, & !< Free energy difference between austensite and martensite - plastic_dislotwin_Cmfptrans, & !< - plastic_dislotwin_Cthresholdtrans, & !< - plastic_dislotwin_transStackHeight !< Stack height of hex nucleus - - real(pReal), dimension(:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctwin66 !< twin elasticity matrix in Mandel notation for each instance - real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctwin3333 !< twin elasticity matrix for each instance - real(pReal), dimension(:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctrans66 !< trans elasticity matrix in Mandel notation for each instance - real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctrans3333 !< trans elasticity matrix for each instance - real(pReal), dimension(:,:), allocatable, private :: & - plastic_dislotwin_rhoEdge0, & !< initial edge dislocation density per slip system for each family and instance - plastic_dislotwin_rhoEdgeDip0, & !< initial edge dipole density per slip system for each family and instance - plastic_dislotwin_burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each slip family and instance - plastic_dislotwin_burgersPerSlipSystem, & !< absolute length of burgers vector [m] for each slip system and instance - plastic_dislotwin_burgersPerTwinFamily, & !< absolute length of burgers vector [m] for each twin family and instance - plastic_dislotwin_burgersPerTwinSystem, & !< absolute length of burgers vector [m] for each twin system and instance - plastic_dislotwin_burgersPerTransFamily, & !< absolute length of burgers vector [m] for each trans family and instance - plastic_dislotwin_burgersPerTransSystem, & !< absolute length of burgers vector [m] for each trans system and instance - plastic_dislotwin_QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance - plastic_dislotwin_QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance - plastic_dislotwin_v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance - plastic_dislotwin_v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance - plastic_dislotwin_tau_peierlsPerSlipFamily, & !< Peierls stress [Pa] for each family and instance - plastic_dislotwin_Ndot0PerTwinFamily, & !< twin nucleation rate [1/m³s] for each twin family and instance - plastic_dislotwin_Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance - plastic_dislotwin_Ndot0PerTransFamily, & !< trans nucleation rate [1/m³s] for each trans family and instance - plastic_dislotwin_Ndot0PerTransSystem, & !< trans nucleation rate [1/m³s] for each trans system and instance - plastic_dislotwin_tau_r_twin, & !< stress to bring partial close together for each twin system and instance - plastic_dislotwin_tau_r_trans, & !< stress to bring partial close together for each trans system and instance - plastic_dislotwin_twinsizePerTwinFamily, & !< twin thickness [m] for each twin family and instance - plastic_dislotwin_twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance - plastic_dislotwin_CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance - plastic_dislotwin_CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance - plastic_dislotwin_lamellarsizePerTransFamily, & !< martensite lamellar thickness [m] for each trans family and instance - plastic_dislotwin_lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance - plastic_dislotwin_interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance - plastic_dislotwin_interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance - plastic_dislotwin_interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance - plastic_dislotwin_interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance - plastic_dislotwin_interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance - plastic_dislotwin_interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - plastic_dislotwin_interaction_TransTrans, & !< coefficients for trans-trans interaction for each interaction type and instance - plastic_dislotwin_pPerSlipFamily, & !< p-exponent in glide velocity - plastic_dislotwin_qPerSlipFamily, & !< q-exponent in glide velocity - plastic_dislotwin_rPerTwinFamily, & !< r-exponent in twin nucleation rate - plastic_dislotwin_sPerTransFamily !< s-exponent in trans nucleation rate - real(pReal), dimension(:,:,:), allocatable, private :: & - plastic_dislotwin_interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance - plastic_dislotwin_interactionMatrix_SlipTwin, & !< interaction matrix of slip systems with twin systems for each instance - plastic_dislotwin_interactionMatrix_TwinSlip, & !< interaction matrix of twin systems with slip systems for each instance - plastic_dislotwin_interactionMatrix_TwinTwin, & !< interaction matrix of the different twin systems for each instance - plastic_dislotwin_interactionMatrix_SlipTrans, & !< interaction matrix of slip systems with trans systems for each instance - plastic_dislotwin_interactionMatrix_TransSlip, & !< interaction matrix of trans systems with slip systems for each instance - plastic_dislotwin_interactionMatrix_TransTrans, & !< interaction matrix of the different trans systems for each instance - plastic_dislotwin_forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance - plastic_dislotwin_projectionMatrix_Trans !< matrix for projection of slip system shear on fault band (twin) systems for each instance - - real(pReal), dimension(:,:,:,:,:), allocatable, private :: & - plastic_dislotwin_sbSv - enum, bind(c) - enumerator :: undefined_ID, & - edge_density_ID, & - dipole_density_ID, & - shear_rate_slip_ID, & - accumulated_shear_slip_ID, & - mfp_slip_ID, & - resolved_stress_slip_ID, & - threshold_stress_slip_ID, & - edge_dipole_distance_ID, & - stress_exponent_ID, & - twin_fraction_ID, & - shear_rate_twin_ID, & - accumulated_shear_twin_ID, & - mfp_twin_ID, & - resolved_stress_twin_ID, & - threshold_stress_twin_ID, & - resolved_stress_shearband_ID, & - shear_rate_shearband_ID, & - sb_eigenvalues_ID, & - sb_eigenvectors_ID, & - stress_trans_fraction_ID, & - strain_trans_fraction_ID, & - trans_fraction_ID + enumerator :: & + undefined_ID, & + edge_density_ID, & + dipole_density_ID, & + shear_rate_slip_ID, & + accumulated_shear_slip_ID, & + mfp_slip_ID, & + resolved_stress_slip_ID, & + threshold_stress_slip_ID, & + edge_dipole_distance_ID, & + stress_exponent_ID, & + twin_fraction_ID, & + shear_rate_twin_ID, & + accumulated_shear_twin_ID, & + mfp_twin_ID, & + resolved_stress_twin_ID, & + threshold_stress_twin_ID, & + resolved_stress_shearband_ID, & + shear_rate_shearband_ID, & + stress_trans_fraction_ID, & + strain_trans_fraction_ID end enum - integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & - plastic_dislotwin_outputID !< ID of each post result output + + type, private :: tParameters + real(pReal) :: & + mu, & + nu, & + CAtomicVolume, & !< atomic volume in Bugers vector unit + D0, & !< prefactor for self-diffusion coefficient + Qsd, & !< activation energy for dislocation climb + GrainSize, & !>>' write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004' - write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' + write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' write(6,'(/,a)') ' F.Roters et al., Computational Materials Science, 39:91–95, 2007' - write(6,'(/,a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014' + write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014' write(6,'(/,a)') ' Wong et al., Acta Materialia, 118:140–151, 2016' - write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2016.07.032' + write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - maxNinstance = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt) - if (maxNinstance == 0_pInt) return + Ninstance = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt) + if (Ninstance == 0_pInt) return if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & - write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance + write(6,'(a16,1x,i5,/)') '# instances:',Ninstance - allocate(plastic_dislotwin_sizePostResults(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) - allocate(plastic_dislotwin_output(maxval(phase_Noutput),maxNinstance)) + + allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt) + allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstance)) plastic_dislotwin_output = '' - allocate(plastic_dislotwin_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) - allocate(plastic_dislotwin_Noutput(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_totalNslip(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_totalNtwin(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_totalNtrans(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_CAtomicVolume(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_D0(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Qsd(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_GrainSize(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_pShearBand(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_qShearBand(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_MaxTwinFraction(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cmfptwin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cthresholdtwin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_SolidSolutionStrength(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_L0_twin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_L0_trans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_xc_twin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_xc_trans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_VcrossSlip(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_aTolRho(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_aTolTwinFrac(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_aTolTransFrac(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_sbResistance(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_sbVelocity(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_sbQedge(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_SFE_0K(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_dSFE_dT(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default - allocate(plastic_dislotwin_deltaG(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cmfptrans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cthresholdtrans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_transStackHeight(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTransFamily(lattice_maxNtransFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_tau_peierlsPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_pPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_qPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTransFamily(lattice_maxNtransFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_rPerTwinFamily(lattice_maxNtwinFamily,maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_interaction_SlipSlip(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_interaction_SlipTwin(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TwinSlip(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TwinTwin(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_interaction_SlipTrans(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TransSlip(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TransTrans(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), & - source=0.0_pReal) - allocate(plastic_dislotwin_lamellarsizePerTransFamily(lattice_maxNtransFamily,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal) + + allocate(param(Ninstance)) + allocate(state(Ninstance)) + allocate(dotState(Ninstance)) + allocate(microstructure(Ninstance)) + + do p = 1_pInt, size(phase_plasticityInstance) + if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle + associate(prm => param(phase_plasticityInstance(p)), & + dot => dotState(phase_plasticityInstance(p)), & + stt => state(phase_plasticityInstance(p)), & + mse => microstructure(phase_plasticityInstance(p))) + + ! This data is read in already in lattice + prm%isFCC = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) + prm%mu = lattice_mu(p) + prm%nu = lattice_nu(p) + prm%C66 = lattice_C66(1:6,1:6,p) + + structure = config_phase(p)%getString('lattice_structure') - rewind(fileUnit) - phase = 0_pInt - do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to - line = IO_read(fileUnit) - enddo - - parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part - line = IO_read(fileUnit) - if (IO_isBlank(line)) cycle ! skip empty lines - if (IO_getTag(line,'<','>') /= '') then ! stop at next part - line = IO_read(fileUnit, .true.) ! reset IO_read - exit - endif - if (IO_getTag(line,'[',']') /= '') then ! next phase section - phase = phase + 1_pInt ! advance phase section counter - if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then - Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) - Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt) - Nchunks_TransFamilies = count(lattice_NtransSystem(:,phase)> 0_pInt) - Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase)) - Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase)) - Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase)) - Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase)) - Nchunks_SlipTrans = maxval(lattice_interactionSlipTrans(:,:,phase)) - Nchunks_TransSlip = maxval(lattice_interactionTransSlip(:,:,phase)) - Nchunks_TransTrans = maxval(lattice_interactionTransTrans(:,:,phase)) - if(allocated(tempPerSlip)) deallocate(tempPerSlip) - if(allocated(tempPerTwin)) deallocate(tempPerTwin) - if(allocated(tempPerTrans)) deallocate(tempPerTrans) - allocate(tempPerSlip(Nchunks_SlipFamilies)) - allocate(tempPerTwin(Nchunks_TwinFamilies)) - allocate(tempPerTrans(Nchunks_TransFamilies)) +!-------------------------------------------------------------------------------------------------- +! slip related parameters + prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) + prm%totalNslip = sum(prm%Nslip) + slipActive: if (prm%totalNslip > 0_pInt) then + prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& + config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) + prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & + config_phase(p)%getFloats('interaction_slipslip'), & + structure(1:3)) + + prm%rho0 = config_phase(p)%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_0 + prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0',requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_dip_0 + prm%v0 = config_phase(p)%getFloats('v0', requiredShape=shape(prm%Nslip)) + prm%burgers_slip = config_phase(p)%getFloats('slipburgers',requiredShape=shape(prm%Nslip)) + prm%Qedge = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip)) !ToDo: rename (ask Karo) + prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip',requiredShape=shape(prm%Nslip)) + prm%p = config_phase(p)%getFloats('p_slip', requiredShape=shape(prm%Nslip)) + prm%q = config_phase(p)%getFloats('q_slip', requiredShape=shape(prm%Nslip)) + prm%B = config_phase(p)%getFloats('b', requiredShape=shape(prm%Nslip), & + defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) + prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',requiredShape=shape(prm%Nslip), & + defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) + + prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') + + ! expand: family => system + prm%rho0 = math_expand(prm%rho0, prm%Nslip) + prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) + prm%v0 = math_expand(prm%v0, prm%Nslip) + prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) + prm%Qedge = math_expand(prm%Qedge, prm%Nslip) + prm%CLambdaSlip = math_expand(prm%CLambdaSlip, prm%Nslip) + prm%p = math_expand(prm%p, prm%Nslip) + prm%q = math_expand(prm%q, prm%Nslip) + prm%B = math_expand(prm%B, prm%Nslip) + prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) + + ! sanity checks + if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 ' + if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//'rhoDip0 ' + if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//'v0 ' + if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//'burgers_slip ' + if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//'Qedge ' + if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//'CLambdaSlip ' + if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//'B ' + if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//'tau_peierls ' + if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//'p ' + if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//'q ' + + else slipActive + allocate(prm%burgers_slip(0)) + endif slipActive + +!-------------------------------------------------------------------------------------------------- +! twin related parameters + prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) + prm%totalNtwin = sum(prm%Ntwin) + if (prm%totalNtwin > 0_pInt) then + prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& + config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) + prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& + config_phase(p)%getFloats('interaction_twintwin'), & + structure(1:3)) + + prm%burgers_twin = config_phase(p)%getFloats('twinburgers') + prm%twinsize = config_phase(p)%getFloats('twinsize') + prm%r = config_phase(p)%getFloats('r_twin') + + prm%xc_twin = config_phase(p)%getFloat('xc_twin') + prm%L0_twin = config_phase(p)%getFloat('l0_twin') + prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) + prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + + + if (.not. prm%isFCC) then + prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') + prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) endif - cycle ! skip to next line + + ! expand: family => system + prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) + prm%twinsize = math_expand(prm%twinsize,prm%Ntwin) + prm%r = math_expand(prm%r,prm%Ntwin) + + else + allocate(prm%twinsize(0)) + allocate(prm%burgers_twin(0)) + allocate(prm%r(0)) + endif + +!-------------------------------------------------------------------------------------------------- +! transformation related parameters + prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyIntArray) + prm%totalNtrans = sum(prm%Ntrans) + if (prm%totalNtrans > 0_pInt) then + prm%burgers_trans = config_phase(p)%getFloats('transburgers') + prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) + + prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%transStackHeight = config_phase(p)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%deltaG = config_phase(p)%getFloat('deltag') + prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%L0_trans = config_phase(p)%getFloat('l0_trans') + + prm%interaction_TransTrans = spread(config_phase(p)%getFloats('interaction_transtrans'),2,1) + if (lattice_structure(p) /= LATTICE_fcc_ID) then + prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans') + prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) + endif + prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize') + prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) + prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) + prm%s = math_expand(prm%s,prm%Ntrans) + else + allocate(prm%lamellarsizePerTransSystem(0)) + allocate(prm%burgers_trans(0)) + endif + + if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then + prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') + prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') + prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') + endif + + if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then + prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& + config_phase(p)%getFloats('interaction_sliptwin'), & + structure(1:3)) + prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& + config_phase(p)%getFloats('interaction_twinslip'), & + structure(1:3)) + endif + + if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then + prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1) + prm%interaction_SlipTrans = spread(config_phase(p)%getFloats('interaction_sliptrans'),2,1) + endif + + + prm%aTolRho = config_phase(p)%getFloat('atol_rho', defaultVal=0.0_pReal) + prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=0.0_pReal) + prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac', defaultVal=0.0_pReal) + + prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') + prm%GrainSize = config_phase(p)%getFloat('grainsize') + + + prm%D0 = config_phase(p)%getFloat('d0') + prm%Qsd = config_phase(p)%getFloat('qsd') + prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') + if (config_phase(p)%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/') + prm%dipoleformation = .not. config_phase(p)%keyExists('/nodipoleformation/') + prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) + if (prm%sbVelocity > 0.0_pReal) then + prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') + prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') + prm%pShearBand = config_phase(p)%getFloat('p_shearband') + prm%qShearBand = config_phase(p)%getFloat('q_shearband') endif - if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran - instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase - chunkPos = IO_stringPos(line) - tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key - select case(tag) - case ('(output)') - select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) - case ('edge_density') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = edge_density_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('dipole_density') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = dipole_density_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('shear_rate_slip','shearrate_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('accumulated_shear_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('mfp_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('resolved_stress_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('threshold_stress_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('edge_dipole_distance') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = edge_dipole_distance_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('stress_exponent') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = stress_exponent_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('twin_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = twin_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('shear_rate_twin','shearrate_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('accumulated_shear_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('mfp_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('resolved_stress_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('threshold_stress_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('resolved_stress_shearband') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_shearband_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('shear_rate_shearband','shearrate_shearband') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_shearband_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('sb_eigenvalues') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvalues_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('sb_eigenvectors') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvectors_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('stress_trans_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = stress_trans_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('strain_trans_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = strain_trans_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - case ('trans_fraction','total_trans_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = trans_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - end select -!-------------------------------------------------------------------------------------------------- -! parameters depending on number of slip system families - case ('nslip') - if (chunkPos(1) < Nchunks_SlipFamilies + 1_pInt) & - call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - if (chunkPos(1) > Nchunks_SlipFamilies + 1_pInt) & - call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - Nchunks_SlipFamilies = chunkPos(1) - 1_pInt - do j = 1_pInt, Nchunks_SlipFamilies - plastic_dislotwin_Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) - enddo - case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') - do j = 1_pInt, Nchunks_SlipFamilies - tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - select case(tag) - case ('rhoedge0') - plastic_dislotwin_rhoEdge0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('rhoedgedip0') - plastic_dislotwin_rhoEdgeDip0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('slipburgers') - plastic_dislotwin_burgersPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('qedge') - plastic_dislotwin_QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('v0') - plastic_dislotwin_v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('clambdaslip') - plastic_dislotwin_CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('tau_peierls') - if (lattice_structure(phase) /= LATTICE_bcc_ID) & - call IO_warning(42_pInt,ext_msg=trim(tag)//' for non-bcc ('//PLASTICITY_DISLOTWIN_label//')') - plastic_dislotwin_tau_peierlsPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('p_slip') - plastic_dislotwin_pPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('q_slip') - plastic_dislotwin_qPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - end select -!-------------------------------------------------------------------------------------------------- -! parameters depending on slip number of twin families - case ('ntwin') - if (chunkPos(1) < Nchunks_TwinFamilies + 1_pInt) & - call IO_warning(51_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - if (chunkPos(1) > Nchunks_TwinFamilies + 1_pInt) & - call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - Nchunks_TwinFamilies = chunkPos(1) - 1_pInt - do j = 1_pInt, Nchunks_TwinFamilies - plastic_dislotwin_Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) - enddo - case ('ndot0_twin','twinsize','twinburgers','r_twin') - do j = 1_pInt, Nchunks_TwinFamilies - tempPerTwin(j) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - select case(tag) - case ('ndot0_twin') - if (lattice_structure(phase) == LATTICE_fcc_ID) & - call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOTWIN_label//')') - plastic_dislotwin_Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - case ('twinsize') - plastic_dislotwin_twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - case ('twinburgers') - plastic_dislotwin_burgersPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - case ('r_twin') - plastic_dislotwin_rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - end select -!-------------------------------------------------------------------------------------------------- -! parameters depending on number of transformation system families - case ('ntrans') - if (chunkPos(1) < Nchunks_TransFamilies + 1_pInt) & - call IO_warning(53_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - if (chunkPos(1) > Nchunks_TransFamilies + 1_pInt) & - call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - Nchunks_TransFamilies = chunkPos(1) - 1_pInt - do j = 1_pInt, Nchunks_TransFamilies - plastic_dislotwin_Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) - enddo - case ('ndot0_trans','lamellarsize','transburgers','s_trans') - do j = 1_pInt, Nchunks_TransFamilies - tempPerTrans(j) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - select case(tag) - case ('ndot0_trans') - if (lattice_structure(phase) == LATTICE_fcc_ID) & - call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOTWIN_label//')') - plastic_dislotwin_Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - case ('lamellarsize') - plastic_dislotwin_lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - case ('transburgers') - plastic_dislotwin_burgersPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - case ('s_trans') - plastic_dislotwin_sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - end select -!-------------------------------------------------------------------------------------------------- -! parameters depending on number of interactions - case ('interaction_slipslip','interactionslipslip') - if (chunkPos(1) < 1_pInt + Nchunks_SlipSlip) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipSlip - plastic_dislotwin_interaction_SlipSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_sliptwin','interactionsliptwin') - if (chunkPos(1) < 1_pInt + Nchunks_SlipTwin) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipTwin - plastic_dislotwin_interaction_SlipTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_twinslip','interactiontwinslip') - if (chunkPos(1) < 1_pInt + Nchunks_TwinSlip) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TwinSlip - plastic_dislotwin_interaction_TwinSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_twintwin','interactiontwintwin') - if (chunkPos(1) < 1_pInt + Nchunks_TwinTwin) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TwinTwin - plastic_dislotwin_interaction_TwinTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_sliptrans','interactionsliptrans') - if (chunkPos(1) < 1_pInt + Nchunks_SlipTrans) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipTrans - plastic_dislotwin_interaction_SlipTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_transslip','interactiontransslip') - if (chunkPos(1) < 1_pInt + Nchunks_TransSlip) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TransSlip - plastic_dislotwin_interaction_TransSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_transtrans','interactiontranstrans') - if (chunkPos(1) < 1_pInt + Nchunks_TransTrans) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TransTrans - plastic_dislotwin_interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo -!-------------------------------------------------------------------------------------------------- -! parameters independent of number of slip/twin/trans systems - case ('grainsize') - plastic_dislotwin_GrainSize(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('maxtwinfraction') - plastic_dislotwin_MaxTwinFraction(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('p_shearband') - plastic_dislotwin_pShearBand(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('q_shearband') - plastic_dislotwin_qShearBand(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('d0') - plastic_dislotwin_D0(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('qsd') - plastic_dislotwin_Qsd(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('atol_rho') - plastic_dislotwin_aTolRho(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('atol_twinfrac') - plastic_dislotwin_aTolTwinFrac(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('atol_transfrac') - plastic_dislotwin_aTolTransFrac(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('cmfptwin') - plastic_dislotwin_Cmfptwin(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('cthresholdtwin') - plastic_dislotwin_Cthresholdtwin(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('solidsolutionstrength') - plastic_dislotwin_SolidSolutionStrength(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('l0_twin') - plastic_dislotwin_L0_twin(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('l0_trans') - plastic_dislotwin_L0_trans(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('xc_twin') - plastic_dislotwin_xc_twin(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('xc_trans') - plastic_dislotwin_xc_trans(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('vcrossslip') - plastic_dislotwin_VcrossSlip(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('cedgedipmindistance') - plastic_dislotwin_CEdgeDipMinDistance(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('catomicvolume') - plastic_dislotwin_CAtomicVolume(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('sfe_0k') - plastic_dislotwin_SFE_0K(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('dsfe_dt') - plastic_dislotwin_dSFE_dT(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('dipoleformationfactor') - plastic_dislotwin_dipoleFormationFactor(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('shearbandresistance') - plastic_dislotwin_sbResistance(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('shearbandvelocity') - plastic_dislotwin_sbVelocity(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('qedgepersbsystem') - plastic_dislotwin_sbQedge(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('deltag') - plastic_dislotwin_deltaG(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('cmfptrans') - plastic_dislotwin_Cmfptrans(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('cthresholdtrans') - plastic_dislotwin_Cthresholdtrans(instance) = IO_floatValue(line,chunkPos,2_pInt) - case ('transstackheight') - plastic_dislotwin_transStackHeight(instance) = IO_floatValue(line,chunkPos,2_pInt) + !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + + if (prm%CAtomicVolume <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%D0 <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%Qsd <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%totalNtwin > 0_pInt) then + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & + lattice_structure(p) == LATTICE_fcc_ID) & + call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolRho <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolTwinFrac <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') + endif + if (prm%totalNtrans > 0_pInt) then + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & + lattice_structure(p) == LATTICE_fcc_ID) & + call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolTransFrac <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') + endif + !if (prm%sbResistance < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity > 0.0_pReal .and. & + ! prm%pShearBand <= 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%sbVelocity > 0.0_pReal .and. & + prm%qShearBand <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') + + outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyStringArray) + allocate(prm%outputID(0)) + do i= 1_pInt, size(outputs) + outputID = undefined_ID + select case(outputs(i)) + case ('edge_density') + outputID = merge(edge_density_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('dipole_density') + outputID = merge(dipole_density_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('shear_rate_slip','shearrate_slip') + outputID = merge(shear_rate_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('accumulated_shear_slip') + outputID = merge(accumulated_shear_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('mfp_slip') + outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('resolved_stress_slip') + outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('threshold_stress_slip') + outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('edge_dipole_distance') + outputID = merge(edge_dipole_distance_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + case ('stress_exponent') + outputID = merge(stress_exponent_ID,undefined_ID,prm%totalNslip > 0_pInt) + outputSize = prm%totalNslip + + case ('twin_fraction') + outputID = merge(twin_fraction_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputSize = prm%totalNtwin + case ('shear_rate_twin','shearrate_twin') + outputID = merge(shear_rate_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputSize = prm%totalNtwin + case ('accumulated_shear_twin') + outputID = merge(accumulated_shear_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputSize = prm%totalNtwin + case ('mfp_twin') + outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputSize = prm%totalNtwin + case ('resolved_stress_twin') + outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputSize = prm%totalNtwin + case ('threshold_stress_twin') + outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) + outputSize = prm%totalNtwin + + case ('resolved_stress_shearband') + outputID = resolved_stress_shearband_ID + outputSize = 6_pInt + case ('shear_rate_shearband','shearrate_shearband') + outputID = shear_rate_shearband_ID + outputSize = 6_pInt + + case ('stress_trans_fraction') + outputID = stress_trans_fraction_ID + outputSize = prm%totalNtrans + case ('strain_trans_fraction') + outputID = strain_trans_fraction_ID + outputSize = prm%totalNtrans + end select - endif; endif - enddo parsingFile - - sanityChecks: do phase = 1_pInt, size(phase_plasticity) - myPhase: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then - instance = phase_plasticityInstance(phase) - - if (sum(plastic_dislotwin_Nslip(:,instance)) < 0_pInt) & - call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(plastic_dislotwin_Ntwin(:,instance)) < 0_pInt) & - call IO_error(211_pInt,el=instance,ext_msg='Ntwin ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(plastic_dislotwin_Ntrans(:,instance)) < 0_pInt) & - call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') - do f = 1_pInt,lattice_maxNslipFamily - if (plastic_dislotwin_Nslip(f,instance) > 0_pInt) then - if (plastic_dislotwin_rhoEdge0(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_rhoEdgeDip0(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_burgersPerSlipFamily(f,instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_v0PerSlipFamily(f,instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') - endif - enddo - do f = 1_pInt,lattice_maxNtwinFamily - if (plastic_dislotwin_Ntwin(f,instance) > 0_pInt) then - if (plastic_dislotwin_burgersPerTwinFamily(f,instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') - endif - enddo - if (plastic_dislotwin_CAtomicVolume(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_D0(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then - if (dEq0(plastic_dislotwin_SFE_0K(instance)) .and. & - dEq0(plastic_dislotwin_dSFE_dT(instance)) .and. & - lattice_structure(phase) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_aTolTwinFrac(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') - endif - if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then - if (dEq0(plastic_dislotwin_SFE_0K(instance)) .and. & - dEq0(plastic_dislotwin_dSFE_dT(instance)) .and. & - lattice_structure(phase) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') - endif - if (plastic_dislotwin_sbResistance(instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_sbVelocity(instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. & - plastic_dislotwin_pShearBand(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (dNeq0(plastic_dislotwin_dipoleFormationFactor(instance)) .and. & - dNeq(plastic_dislotwin_dipoleFormationFactor(instance), 1.0_pReal)) & - call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. & - plastic_dislotwin_qShearBand(instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') - -!-------------------------------------------------------------------------------------------------- -! Determine total number of active slip or twin systems - plastic_dislotwin_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),plastic_dislotwin_Nslip(:,instance)) - plastic_dislotwin_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),plastic_dislotwin_Ntwin(:,instance)) - plastic_dislotwin_Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),plastic_dislotwin_Ntrans(:,instance)) - plastic_dislotwin_totalNslip(instance) = sum(plastic_dislotwin_Nslip(:,instance)) - plastic_dislotwin_totalNtwin(instance) = sum(plastic_dislotwin_Ntwin(:,instance)) - plastic_dislotwin_totalNtrans(instance) = sum(plastic_dislotwin_Ntrans(:,instance)) - endif myPhase - enddo sanityChecks - -!-------------------------------------------------------------------------------------------------- -! allocation of variables whose size depends on the total number of active slip systems - maxTotalNslip = maxval(plastic_dislotwin_totalNslip) - maxTotalNtwin = maxval(plastic_dislotwin_totalNtwin) - maxTotalNtrans = maxval(plastic_dislotwin_totalNtrans) - - allocate(plastic_dislotwin_burgersPerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_tau_r_twin(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_tau_r_trans(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_twinsizePerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_lamellarsizePerTransSystem(maxTotalNtrans, maxNinstance),source=0.0_pReal) - - allocate(plastic_dislotwin_interactionMatrix_SlipSlip(maxval(plastic_dislotwin_totalNslip),& ! slip resistance from slip activity - maxval(plastic_dislotwin_totalNslip),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_SlipTwin(maxval(plastic_dislotwin_totalNslip),& ! slip resistance from twin activity - maxval(plastic_dislotwin_totalNtwin),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TwinSlip(maxval(plastic_dislotwin_totalNtwin),& ! twin resistance from slip activity - maxval(plastic_dislotwin_totalNslip),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TwinTwin(maxval(plastic_dislotwin_totalNtwin),& ! twin resistance from twin activity - maxval(plastic_dislotwin_totalNtwin),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_SlipTrans(maxval(plastic_dislotwin_totalNslip),& ! slip resistance from trans activity - maxval(plastic_dislotwin_totalNtrans),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TransSlip(maxval(plastic_dislotwin_totalNtrans),& ! trans resistance from slip activity - maxval(plastic_dislotwin_totalNslip),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TransTrans(maxval(plastic_dislotwin_totalNtrans),& ! trans resistance from trans activity - maxval(plastic_dislotwin_totalNtrans),& - maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_projectionMatrix_Trans(maxTotalNtrans,maxTotalNslip,maxNinstance), & - source=0.0_pReal) - allocate(plastic_dislotwin_Ctwin66(6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ctwin3333(3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ctrans66(6,6,maxTotalNtrans,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ctrans3333(3,3,3,3,maxTotalNtrans,maxNinstance), source=0.0_pReal) - - allocate(state(maxNinstance)) - allocate(state0(maxNinstance)) - allocate(dotState(maxNinstance)) - - initializeInstances: do phase = 1_pInt, size(phase_plasticity) - myPhase2: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then - NofMyPhase=count(material_phase==phase) - instance = phase_plasticityInstance(phase) - - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) - -!-------------------------------------------------------------------------------------------------- -! Determine size of postResults array - outputsLoop: do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(plastic_dislotwin_outputID(o,instance)) - case(edge_density_ID, & - dipole_density_ID, & - shear_rate_slip_ID, & - accumulated_shear_slip_ID, & - mfp_slip_ID, & - resolved_stress_slip_ID, & - threshold_stress_slip_ID, & - edge_dipole_distance_ID, & - stress_exponent_ID & - ) - mySize = ns - case(twin_fraction_ID, & - shear_rate_twin_ID, & - accumulated_shear_twin_ID, & - mfp_twin_ID, & - resolved_stress_twin_ID, & - threshold_stress_twin_ID & - ) - mySize = nt - case(resolved_stress_shearband_ID, & - shear_rate_shearband_ID & - ) - mySize = 6_pInt - case(sb_eigenvalues_ID) - mySize = 3_pInt - case(sb_eigenvectors_ID) - mySize = 9_pInt - case(stress_trans_fraction_ID, & - strain_trans_fraction_ID, & - trans_fraction_ID & - ) - mySize = nr - end select - - if (mySize > 0_pInt) then ! any meaningful output found - plastic_dislotwin_sizePostResult(o,instance) = mySize - plastic_dislotwin_sizePostResults(instance) = plastic_dislotwin_sizePostResults(instance) + mySize - endif - enddo outputsLoop + + if (outputID /= undefined_ID) then + plastic_dislotwin_output(i,phase_plasticityInstance(p)) = outputs(i) + plastic_dislotwin_sizePostResult(i,phase_plasticityInstance(p)) = outputSize + prm%outputID = [prm%outputID, outputID] + endif + enddo + !-------------------------------------------------------------------------------------------------- ! allocate state arrays + NipcMyPhase=count(material_phase==p) + sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & + + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & + + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans + sizeState = sizeDotState - sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * ns & - + int(size(['twinFraction','accsheartwin']),pInt) * nt & - + int(size(['stressTransFraction','strainTransFraction']),pInt) * nr - sizeDeltaState = 0_pInt - sizeState = sizeDotState & - + int(size(['invLambdaSlip ','invLambdaSlipTwin ','invLambdaSlipTrans',& - 'meanFreePathSlip ','tauSlipThreshold ']),pInt) * ns & - + int(size(['invLambdaTwin ','meanFreePathTwin','tauTwinThreshold',& - 'twinVolume ']),pInt) * nt & - + int(size(['invLambdaTrans ','meanFreePathTrans','tauTransThreshold', & - 'martensiteVolume ']),pInt) * nr - - plasticState(phase)%sizeState = sizeState - plasticState(phase)%sizeDotState = sizeDotState - plasticState(phase)%sizeDeltaState = sizeDeltaState - plasticState(phase)%sizePostResults = plastic_dislotwin_sizePostResults(instance) - plasticState(phase)%nSlip = plastic_dislotwin_totalNslip(instance) - plasticState(phase)%nTwin = plastic_dislotwin_totalNtwin(instance) - plasticState(phase)%nTrans= plastic_dislotwin_totalNtrans(instance) - allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) - allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal) + call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & + prm%totalNslip,prm%totalNtwin,prm%totalNtrans) + plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) - allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) - endif - if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) - offset_slip = 2_pInt*plasticState(phase)%nslip - plasticState(phase)%slipRate => & - plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) - plasticState(phase)%accumulatedSlip => & - plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) + ! ToDo: do later on + offset_slip = 2_pInt*plasticState(p)%nslip + plasticState(p)%slipRate => & + plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) + plasticState(p)%accumulatedSlip => & + plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) + + allocate(temp1(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) + allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal) + i = 0_pInt + mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) + index_myFamily = sum(prm%Nslip(1:f-1_pInt)) - !* Process slip related parameters ------------------------------------------------ - slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(plastic_dislotwin_Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - slipSystemsLoop: do j = 1_pInt,plastic_dislotwin_Nslip(f,instance) - - !* Burgers vector, - ! dislocation velocity prefactor, - ! mean free path prefactor, - ! and minimum dipole distance - - plastic_dislotwin_burgersPerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_burgersPerSlipFamily(f,instance) - - plastic_dislotwin_QedgePerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_QedgePerSlipFamily(f,instance) - - plastic_dislotwin_v0PerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_v0PerSlipFamily(f,instance) - - plastic_dislotwin_CLambdaSlipPerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_CLambdaSlipPerSlipFamily(f,instance) + slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) + i = i + 1_pInt + do o = 1_pInt, size(prm%Nslip,1) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + prm%forestProjectionEdge(index_myFamily+j,index_otherFamily+k) = & + abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & + lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) + enddo; enddo + do o = 1_pInt,size(prm%Ntrans,1) + index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) + do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipTrans(lattice_interactionSlipTrans( & + sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - !* Calculation of forest projections for edge dislocations - !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) - plastic_dislotwin_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & - abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), & - lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase))) - plastic_dislotwin_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_SlipSlip(lattice_interactionSlipSlip( & - sum(lattice_NslipSystem(1:f-1,phase))+j, & - sum(lattice_NslipSystem(1:o-1,phase))+k, & - phase), instance ) - enddo; enddo - - do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(plastic_dislotwin_Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin) - plastic_dislotwin_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_SlipTwin(lattice_interactionSlipTwin( & - sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & - phase), instance ) - enddo; enddo + enddo slipSystemsLoop + enddo mySlipFamilies + prm%interaction_SlipTrans = temp1; deallocate(temp1) + + allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal) + if (lattice_structure(p) == LATTICE_fcc_ID) & + allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt) + allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal) + i = 0_pInt + twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) + index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list + twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) + i = i + 1_pInt + prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p) + if (lattice_structure(p) == LATTICE_fcc_ID) prm%fcc_twinNucleationSlipPair(1:2,i) = & + lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j) + !* Rotate twin elasticity matrices + index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list + prm%C66_twin(1:6,1:6,index_myFamily+j) = & + math_Mandel3333to66(math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtwin(1:3,1:3,index_otherFamily+j,p))) + enddo twinSystemsLoop + enddo twinFamiliesLoop - do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(plastic_dislotwin_Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntrans(o,instance) ! loop over (active) systems in other family (trans) - plastic_dislotwin_interactionMatrix_SlipTrans(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_SlipTrans(lattice_interactionSlipTrans( & - sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtransSystem(1:o-1_pInt,phase))+k, & - phase), instance ) - enddo; enddo - - enddo slipSystemsLoop - enddo slipFamiliesLoop - - !* Process twin related parameters ------------------------------------------------ - twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(plastic_dislotwin_Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list - twinSystemsLoop: do j = 1_pInt,plastic_dislotwin_Ntwin(f,instance) - !* Burgers vector, - ! nucleation rate prefactor, - ! and twin size - - plastic_dislotwin_burgersPerTwinSystem(index_myFamily+j,instance) = & - plastic_dislotwin_burgersPerTwinFamily(f,instance) + allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) + allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal) + allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal) + i = 0_pInt + transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) + index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list + transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) + i = i + 1_pInt + prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p) + !* Rotate trans elasticity matrices + index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list + prm%C66_trans(1:6,1:6,index_myFamily+j) = & + math_Mandel3333to66(math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtrans(1:3,1:3,index_otherFamily+j,p))) + !* Interaction matrices + do o = 1_pInt,size(prm%Nslip,1) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TransSlip(lattice_interactionTransSlip( & + sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & + sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & + p) ,1 ) + enddo; enddo - plastic_dislotwin_Ndot0PerTwinSystem(index_myFamily+j,instance) = & - plastic_dislotwin_Ndot0PerTwinFamily(f,instance) + do o = 1_pInt,size(prm%Ntrans,1) + index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) + do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TransTrans(lattice_interactionTransTrans( & + sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - plastic_dislotwin_twinsizePerTwinSystem(index_myFamily+j,instance) = & - plastic_dislotwin_twinsizePerTwinFamily(f,instance) - - !* Rotate twin elasticity matrices - index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! index in full lattice twin list - do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - plastic_dislotwin_Ctwin3333(l,m,n,o,index_myFamily+j,instance) = & - plastic_dislotwin_Ctwin3333(l,m,n,o,index_myFamily+j,instance) + & - lattice_C3333(p,q,r,s,phase) * & - lattice_Qtwin(l,p,index_otherFamily+j,phase) * & - lattice_Qtwin(m,q,index_otherFamily+j,phase) * & - lattice_Qtwin(n,r,index_otherFamily+j,phase) * & - lattice_Qtwin(o,s,index_otherFamily+j,phase) - enddo; enddo; enddo; enddo - enddo; enddo; enddo; enddo - plastic_dislotwin_Ctwin66(1:6,1:6,index_myFamily+j,instance) = & - math_Mandel3333to66(plastic_dislotwin_Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) - - !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) - plastic_dislotwin_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TwinSlip(lattice_interactionTwinSlip( & - sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & - phase), instance ) - enddo; enddo - - do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(plastic_dislotwin_Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin) - plastic_dislotwin_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TwinTwin(lattice_interactionTwinTwin( & - sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & - phase), instance ) - enddo; enddo - - enddo twinSystemsLoop - enddo twinFamiliesLoop + enddo transSystemsLoop + enddo transFamiliesLoop + prm%interaction_TransSlip = temp1; deallocate(temp1) + prm%interaction_TransTrans = temp2; deallocate(temp2) - !* Process transformation related parameters ------------------------------------------------ - transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily - index_myFamily = sum(plastic_dislotwin_Ntrans(1:f-1_pInt,instance)) ! index in truncated trans system list - transSystemsLoop: do j = 1_pInt,plastic_dislotwin_Ntrans(f,instance) + startIndex=1_pInt + endIndex=prm%totalNslip + stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) + stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase) + dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - !* Burgers vector, - ! nucleation rate prefactor, - ! and martensite size + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) + stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase) + dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) + dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) + dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + stt%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) + dot%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + stt%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dot%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - plastic_dislotwin_burgersPerTransSystem(index_myFamily+j,instance) = & - plastic_dislotwin_burgersPerTransFamily(f,instance) + plasticState(p)%state0 = plasticState(p)%state + dot%whole => plasticState(p)%dotState - plastic_dislotwin_Ndot0PerTransSystem(index_myFamily+j,instance) = & - plastic_dislotwin_Ndot0PerTransFamily(f,instance) + allocate(mse%invLambdaSlip(prm%totalNslip,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaSlipTwin(prm%totalNslip,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaTwin(prm%totalNtwin,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - plastic_dislotwin_lamellarsizePerTransSystem(index_myFamily+j,instance) = & - plastic_dislotwin_lamellarsizePerTransFamily(f,instance) + allocate(mse%mfp_slip(prm%totalNslip,NipcMyPhase), source=0.0_pReal) + allocate(mse%mfp_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%mfp_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - !* Rotate trans elasticity matrices - index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,phase)) ! index in full lattice trans list - do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - plastic_dislotwin_Ctrans3333(l,m,n,o,index_myFamily+j,instance) = & - plastic_dislotwin_Ctrans3333(l,m,n,o,index_myFamily+j,instance) + & - lattice_trans_C3333(p,q,r,s,phase) * & - lattice_Qtrans(l,p,index_otherFamily+j,phase) * & - lattice_Qtrans(m,q,index_otherFamily+j,phase) * & - lattice_Qtrans(n,r,index_otherFamily+j,phase) * & - lattice_Qtrans(o,s,index_otherFamily+j,phase) - enddo; enddo; enddo; enddo - enddo; enddo; enddo; enddo - plastic_dislotwin_Ctrans66(1:6,1:6,index_myFamily+j,instance) = & - math_Mandel3333to66(plastic_dislotwin_Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) + allocate(mse%threshold_stress_slip(prm%totalNslip,NipcMyPhase), source=0.0_pReal) + allocate(mse%threshold_stress_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) - plastic_dislotwin_interactionMatrix_TransSlip(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TransSlip(lattice_interactionTransSlip( & - sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & - phase), instance ) - enddo; enddo + allocate(mse%tau_r_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%tau_r_trans(prm%totalNtrans,NipcMyPhase), source=0.0_pReal) - do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(plastic_dislotwin_Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntrans(o,instance) ! loop over (active) systems in other family (trans) - plastic_dislotwin_interactionMatrix_TransTrans(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TransTrans(lattice_interactionTransTrans( & - sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtransSystem(1:o-1_pInt,phase))+k, & - phase), instance ) - enddo; enddo + allocate(mse%twinVolume(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%martensiteVolume(prm%totalNtrans,NipcMyPhase), source=0.0_pReal) - !* Projection matrices for shear from slip systems to fault-band (twin) systems for strain-induced martensite nucleation - select case(trans_lattice_structure(phase)) - case (LATTICE_bcc_ID) - do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (trans) - plastic_dislotwin_projectionMatrix_Trans(index_myFamily+j,index_otherFamily+k,instance) = & - lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,phase))+j, & - sum(lattice_NslipSystem(1:o-1,phase))+k, phase) - enddo; enddo - end select - - enddo transSystemsLoop - enddo transFamiliesLoop - - startIndex=1_pInt - endIndex=ns - state(instance)%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%rhoEdge=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%rhoEdgeDip=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%accshear_slip=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%twinFraction=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%twinFraction=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%twinFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%accshear_twin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%accshear_twin=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%accshear_twin=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%stressTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%stressTransFraction=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%stressTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%strainTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%strainTransFraction=>plasticState(phase)%state0(startIndex:endIndex,:) - dotState(instance)%strainTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%invLambdaSlip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaSlip=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%invLambdaSlipTwin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaSlipTwin=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%invLambdaTwin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaTwin=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%invLambdaSlipTrans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaSlipTrans=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%invLambdaTrans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaTrans=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%mfp_slip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%mfp_slip=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%mfp_twin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%mfp_twin=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%mfp_trans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%mfp_trans=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%threshold_stress_slip=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%threshold_stress_twin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%threshold_stress_twin=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%threshold_stress_trans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%threshold_stress_trans=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%twinVolume=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%twinVolume=>plasticState(phase)%state0(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%martensiteVolume=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%martensiteVolume=>plasticState(phase)%state0(startIndex:endIndex,:) - - call plastic_dislotwin_stateInit(phase,instance) - call plastic_dislotwin_aTolState(phase,instance) - endif myPhase2 - - enddo initializeInstances -end subroutine plastic_dislotwin_init - -!-------------------------------------------------------------------------------------------------- -!> @brief sets the relevant state values for a given instance of this plasticity -!-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_stateInit(ph,instance) - use math, only: & - pi - use lattice, only: & - lattice_maxNslipFamily, & - lattice_mu - use material, only: & - plasticState - - implicit none - integer(pInt), intent(in) :: & - instance, & !< number specifying the instance of the plasticity - ph - - real(pReal), dimension(plasticState(ph)%sizeState) :: tempState - - integer(pInt) :: i,j,f,ns,nt,nr, index_myFamily - real(pReal), dimension(plastic_dislotwin_totalNslip(instance)) :: & - rhoEdge0, & - rhoEdgeDip0, & - invLambdaSlip0, & - MeanFreePathSlip0, & - tauSlipThreshold0 - real(pReal), dimension(plastic_dislotwin_totalNtwin(instance)) :: & - MeanFreePathTwin0,TwinVolume0 - real(pReal), dimension(plastic_dislotwin_totalNtrans(instance)) :: & - MeanFreePathTrans0,MartensiteVolume0 - tempState = 0.0_pReal - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) - -!-------------------------------------------------------------------------------------------------- -! initialize basic slip state variables - do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(plastic_dislotwin_Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - rhoEdge0(index_myFamily+1_pInt: & - index_myFamily+plastic_dislotwin_Nslip(f,instance)) = & - plastic_dislotwin_rhoEdge0(f,instance) - rhoEdgeDip0(index_myFamily+1_pInt: & - index_myFamily+plastic_dislotwin_Nslip(f,instance)) = & - plastic_dislotwin_rhoEdgeDip0(f,instance) + end associate enddo - tempState(1_pInt:ns) = rhoEdge0 - tempState(ns+1_pInt:2_pInt*ns) = rhoEdgeDip0 - -!-------------------------------------------------------------------------------------------------- -! initialize dependent slip microstructural variables - forall (i = 1_pInt:ns) & - invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0+rhoEdgeDip0),plastic_dislotwin_forestProjectionEdge(1:ns,i,instance)))/ & - plastic_dislotwin_CLambdaSlipPerSlipSystem(i,instance) - tempState(3_pInt*ns+2_pInt*nt+2_pInt*nr+1:4_pInt*ns+2_pInt*nt+2_pInt*nr) = invLambdaSlip0 - - forall (i = 1_pInt:ns) & - MeanFreePathSlip0(i) = & - plastic_dislotwin_GrainSize(instance)/(1.0_pReal+invLambdaSlip0(i)*plastic_dislotwin_GrainSize(instance)) - tempState(6_pInt*ns+3_pInt*nt+3_pInt*nr+1:7_pInt*ns+3_pInt*nt+3_pInt*nr) = MeanFreePathSlip0 - - forall (i = 1_pInt:ns) & - tauSlipThreshold0(i) = & - lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(i,instance) * & - sqrt(dot_product((rhoEdge0+rhoEdgeDip0),plastic_dislotwin_interactionMatrix_SlipSlip(i,1:ns,instance))) - - tempState(7_pInt*ns+4_pInt*nt+4_pInt*nr+1:8_pInt*ns+4_pInt*nt+4_pInt*nr) = tauSlipThreshold0 - -!-------------------------------------------------------------------------------------------------- -! initialize dependent twin microstructural variables - forall (j = 1_pInt:nt) & - MeanFreePathTwin0(j) = plastic_dislotwin_GrainSize(instance) - tempState(7_pInt*ns+3_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+3_pInt*nr) = MeanFreePathTwin0 - - forall (j = 1_pInt:nt) & - TwinVolume0(j) = & - (pi/4.0_pReal)*plastic_dislotwin_twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) - tempState(8_pInt*ns+5_pInt*nt+5_pInt*nr+1_pInt:8_pInt*ns+6_pInt*nt+5_pInt*nr) = TwinVolume0 - -!-------------------------------------------------------------------------------------------------- -! initialize dependent trans microstructural variables - forall (j = 1_pInt:nr) & - MeanFreePathTrans0(j) = plastic_dislotwin_GrainSize(instance) - tempState(7_pInt*ns+4_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+4_pInt*nr) = MeanFreePathTrans0 - - forall (j = 1_pInt:nr) & - MartensiteVolume0(j) = & - (pi/4.0_pReal)*plastic_dislotwin_lamellarsizePerTransSystem(j,instance)*MeanFreePathTrans0(j)**(2.0_pReal) - tempState(8_pInt*ns+6_pInt*nt+5_pInt*nr+1_pInt:8_pInt*ns+6_pInt*nt+6_pInt*nr) = MartensiteVolume0 - -plasticState(ph)%state0 = spread(tempState,2,size(plasticState(ph)%state(1,:))) - -end subroutine plastic_dislotwin_stateInit - -!-------------------------------------------------------------------------------------------------- -!> @brief sets the relevant state values for a given instance of this plasticity -!-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_aTolState(ph,instance) - use material, only: & - plasticState - - implicit none - integer(pInt), intent(in) :: & - ph, & - instance ! number specifying the current instance of the plasticity - - integer(pInt) :: ns, nt, nr - - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) - - ! Tolerance state for dislocation densities - plasticState(ph)%aTolState(1_pInt: & - 2_pInt*ns) = plastic_dislotwin_aTolRho(instance) - - ! Tolerance state for accumulated shear due to slip - plasticState(ph)%aTolState(2_pInt*ns+1_pInt: & - 3_pInt*ns)=1.0e6_pReal - - ! Tolerance state for twin volume fraction - plasticState(ph)%aTolState(3_pInt*ns+1_pInt: & - 3_pInt*ns+nt) = plastic_dislotwin_aTolTwinFrac(instance) - - ! Tolerance state for accumulated shear due to twin - plasticState(ph)%aTolState(3_pInt*ns+nt+1_pInt: & - 3_pInt*ns+2_pInt*nt) = 1.0e6_pReal - -! Tolerance state for stress-assisted martensite volume fraction - plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+1_pInt: & - 3_pInt*ns+2_pInt*nt+nr) = plastic_dislotwin_aTolTransFrac(instance) - -! Tolerance state for strain-induced martensite volume fraction - plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+nr+1_pInt: & - 3_pInt*ns+2_pInt*nt+2_pInt*nr) = plastic_dislotwin_aTolTransFrac(instance) - -end subroutine plastic_dislotwin_aTolState - +end subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- !> @brief returns the homogenized elasticity matrix !-------------------------------------------------------------------------------------------------- function plastic_dislotwin_homogenizedC(ipc,ip,el) use material, only: & + material_phase, & phase_plasticityInstance, & - phaseAt, phasememberAt - use lattice, only: & - lattice_C66 + phasememberAt - implicit none - real(pReal), dimension(6,6) :: & - plastic_dislotwin_homogenizedC - integer(pInt), intent(in) :: & - ipc, & !< component-ID of integration point - ip, & !< integration point - el !< element + implicit none + real(pReal), dimension(6,6) :: & + plastic_dislotwin_homogenizedC + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el !< element + type(tParameters) :: prm + type(tDislotwinState) :: stt - integer(pInt) :: instance,ns,nt,nr,i, & - ph, & + integer(pInt) :: i, & of - real(pReal) :: sumf, sumftr + real(pReal) :: f_unrotated - !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + f_unrotated = 1.0_pReal & + - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & + - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & + - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) - - !* Homogenized elasticity matrix - plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) - do i=1_pInt,nt + plastic_dislotwin_homogenizedC = f_unrotated * prm%C66 + do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + state(instance)%twinFraction(i,of)*plastic_dislotwin_Ctwin66(1:6,1:6,i,instance) + + stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i) enddo - do i=1_pInt,nr + do i=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + (state(instance)%stressTransFraction(i,of) + state(instance)%strainTransFraction(i,of))*& - plastic_dislotwin_Ctrans66(1:6,1:6,i,instance) + +(stt%stressTransFraction(i,of)+stt%strainTransFraction(i,of))*& + prm%C66_trans(1:6,1:6,i) enddo - + end associate end function plastic_dislotwin_homogenizedC - + + !-------------------------------------------------------------------------------------------------- !> @brief calculates derived quantities from state !-------------------------------------------------------------------------------------------------- subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) use math, only: & - pi + PI use material, only: & material_phase, & phase_plasticityInstance, & - !plasticState, & !!!!delete - phaseAt, phasememberAt - use lattice, only: & - lattice_mu, & - lattice_nu + phasememberAt implicit none integer(pInt), intent(in) :: & @@ -1470,222 +829,154 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) temperature !< temperature at IP integer(pInt) :: & - instance, & - ns,nt,nr,s,t,r, & - ph, & + i, & of real(pReal) :: & - sumf,sfe,x0,sumftr - real(pReal), dimension(plastic_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize - real(pReal), dimension(plastic_dislotwin_totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + sumf_twin,SFE,sumf_trans + real(pReal), dimension(:), allocatable :: & + x0, & + fOverStacksize, & ftransOverLamellarSize + + type(tParameters) :: prm !< parameters of present instance + type(tDislotwinState) :: stt !< state of present instance + type(tDislotwinMicrostructure) :: mse - !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 - - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))),& + mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - !* Stacking fault energy - sfe = plastic_dislotwin_SFE_0K(instance) + & - plastic_dislotwin_dSFE_dT(instance) * Temperature - - !* rescaled twin volume fraction for topology - forall (t = 1_pInt:nt) & - fOverStacksize(t) = & - state(instance)%twinFraction(t,of)/plastic_dislotwin_twinsizePerTwinSystem(t,instance) + sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) + sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & + + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) - !* rescaled trans volume fraction for topology - forall (r = 1_pInt:nr) & - ftransOverLamellarSize(r) = & - (state(instance)%stressTransFraction(r,of)+state(instance)%strainTransFraction(r,of))/& - plastic_dislotwin_lamellarsizePerTransSystem(r,instance) + sfe = prm%SFE_0K + prm%dSFE_dT * Temperature + !* rescaled volume fraction for topology + fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system + ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ... + !Todo: Physically ok, but naming could be adjusted + + !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation - forall (s = 1_pInt:ns) & - state(instance)%invLambdaSlip(s,of) = & - sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& - plastic_dislotwin_forestProjectionEdge(1:ns,s,instance)))/ & - plastic_dislotwin_CLambdaSlipPerSlipSystem(s,instance) + forall (i = 1_pInt:prm%totalNslip) & + mse%invLambdaSlip(i,of) = & + sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + prm%forestProjectionEdge(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) - state(instance)%invLambdaSlipTwin(1_pInt:ns,of) = 0.0_pReal - if (nt > 0_pInt .and. ns > 0_pInt) & - state(instance)%invLambdaSlipTwin(1_pInt:ns,of) = & - matmul(plastic_dislotwin_interactionMatrix_SlipTwin(1:ns,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) - !$OMP END CRITICAL (evilmatmul) - + if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & + mse%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & + matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin) + !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin - !$OMP CRITICAL (evilmatmul) - if (nt > 0_pInt) & - state(instance)%invLambdaTwin(1_pInt:nt,of) = & - matmul(plastic_dislotwin_interactionMatrix_TwinTwin(1:nt,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) - !$OMP END CRITICAL (evilmatmul) + + !ToDo: needed? if (prm%totalNtwin > 0_pInt) & + mse%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & + matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin) + !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation - state(instance)%invLambdaSlipTrans(1_pInt:ns,of) = 0.0_pReal - if (nr > 0_pInt .and. ns > 0_pInt) & - state(instance)%invLambdaSlipTrans(1_pInt:ns,of) = & - matmul(plastic_dislotwin_interactionMatrix_SlipTrans(1:ns,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) + if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & + mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & + matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) - if (nr > 0_pInt) & - state(instance)%invLambdaTrans(1_pInt:nr,of) = & - matmul(plastic_dislotwin_interactionMatrix_TransTrans(1:nr,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) + !ToDo: needed? if (prm%totalNtrans > 0_pInt) & + + mse%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & + matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) + !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation - do s = 1_pInt,ns - if ((nt > 0_pInt) .or. (nr > 0_pInt)) then - state(instance)%mfp_slip(s,of) = & - plastic_dislotwin_GrainSize(instance)/(1.0_pReal+plastic_dislotwin_GrainSize(instance)*& - (state(instance)%invLambdaSlip(s,of) + & - state(instance)%invLambdaSlipTwin(s,of) + & - state(instance)%invLambdaSlipTrans(s,of))) + do i = 1_pInt,prm%totalNslip + if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified + mse%mfp_slip(i,of) = & + prm%GrainSize/(1.0_pReal+prm%GrainSize*& + (mse%invLambdaSlip(i,of) + mse%invLambdaSlipTwin(i,of) + mse%invLambdaSlipTrans(i,of))) else - state(instance)%mfp_slip(s,of) = & - plastic_dislotwin_GrainSize(instance)/& - (1.0_pReal+plastic_dislotwin_GrainSize(instance)*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? + mse%mfp_slip(i,of) = & + prm%GrainSize/& + (1.0_pReal+prm%GrainSize*(mse%invLambdaSlip(i,of))) !!!!!! correct? endif enddo - !* mean free path between 2 obstacles seen by a growing twin - forall (t = 1_pInt:nt) & - state(instance)%mfp_twin(t,of) = & - plastic_dislotwin_Cmfptwin(instance)*plastic_dislotwin_GrainSize(instance)/& - (1.0_pReal+plastic_dislotwin_GrainSize(instance)*state(ph)%invLambdaTwin(t,of)) - - !* mean free path between 2 obstacles seen by a growing martensite - forall (r = 1_pInt:nr) & - state(instance)%mfp_trans(r,of) = & - plastic_dislotwin_Cmfptrans(instance)*plastic_dislotwin_GrainSize(instance)/& - (1.0_pReal+plastic_dislotwin_GrainSize(instance)*state(instance)%invLambdaTrans(r,of)) + !* mean free path between 2 obstacles seen by a growing twin/martensite + mse%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*mse%invLambdaTwin(:,of)) + mse%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*mse%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (s = 1_pInt:ns) & - state(instance)%threshold_stress_slip(s,of) = & - lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(s,instance)*& - sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& - plastic_dislotwin_interactionMatrix_SlipSlip(s,1:ns,instance))) + forall (i = 1_pInt:prm%totalNslip) mse%threshold_stress_slip(i,of) = & + prm%mu*prm%burgers_slip(i)*& + sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& + prm%interaction_SlipSlip(i,1:prm%totalNslip))) - !* threshold stress for growing twin - forall (t = 1_pInt:nt) & - state(instance)%threshold_stress_twin(t,of) = & - plastic_dislotwin_Cthresholdtwin(instance)* & - (sfe/(3.0_pReal*plastic_dislotwin_burgersPerTwinSystem(t,instance)) & - + 3.0_pReal*plastic_dislotwin_burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& - (plastic_dislotwin_L0_twin(instance)*plastic_dislotwin_burgersPerSlipSystem(t,instance)) & - ) - - !* threshold stress for growing martensite - forall (r = 1_pInt:nr) & - state(instance)%threshold_stress_trans(r,of) = & - plastic_dislotwin_Cthresholdtrans(instance)* & - (sfe/(3.0_pReal*plastic_dislotwin_burgersPerTransSystem(r,instance)) & - + 3.0_pReal*plastic_dislotwin_burgersPerTransSystem(r,instance)*lattice_mu(ph)/& - (plastic_dislotwin_L0_trans(instance)*plastic_dislotwin_burgersPerSlipSystem(r,instance))& - + plastic_dislotwin_transStackHeight(instance)*plastic_dislotwin_deltaG(instance)/ & - (3.0_pReal*plastic_dislotwin_burgersPerTransSystem(r,instance)) & - ) - - !* final twin volume after growth - forall (t = 1_pInt:nt) & - state(instance)%twinVolume(t,of) = & - (pi/4.0_pReal)*plastic_dislotwin_twinsizePerTwinSystem(t,instance)*& - state(instance)%mfp_twin(t,of)**(2.0_pReal) - - !* final martensite volume after growth - forall (r = 1_pInt:nr) & - state(instance)%martensiteVolume(r,of) = & - (pi/4.0_pReal)*plastic_dislotwin_lamellarsizePerTransSystem(r,instance)*& - state(instance)%mfp_trans(r,of)**(2.0_pReal) + !* threshold stress for growing twin/martensite + if(prm%totalNtwin == prm%totalNslip) & + mse%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & + (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ & + (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? + if(prm%totalNtrans == prm%totalNslip) & + mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& + (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) + + ! final volume after growth + mse%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*mse%mfp_twin(:,of)**2.0_pReal + mse%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*mse%mfp_trans(:,of)**2.0_pReal !* equilibrium separation of partial dislocations (twin) - do t = 1_pInt,nt - x0 = lattice_mu(ph)*plastic_dislotwin_burgersPerTwinSystem(t,instance)**(2.0_pReal)/& - (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - plastic_dislotwin_tau_r_twin(t,instance)= & - lattice_mu(ph)*plastic_dislotwin_burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& - (1/(x0+plastic_dislotwin_xc_twin(instance))+cos(pi/3.0_pReal)/x0) - enddo + x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) + mse%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) !* equilibrium separation of partial dislocations (trans) - do r = 1_pInt,nr - x0 = lattice_mu(ph)*plastic_dislotwin_burgersPerTransSystem(r,instance)**(2.0_pReal)/& - (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - plastic_dislotwin_tau_r_trans(r,instance)= & - lattice_mu(ph)*plastic_dislotwin_burgersPerTransSystem(r,instance)/(2.0_pReal*pi)*& - (1/(x0+plastic_dislotwin_xc_trans(instance))+cos(pi/3.0_pReal)/x0) - enddo + x0 = prm%mu*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) + mse%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) +end associate end subroutine plastic_dislotwin_microstructure !-------------------------------------------------------------------------------------------------- !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el) +subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of) use prec, only: & tol_math_check, & dNeq0 use math, only: & - math_Plain3333to99, & - math_Mandel6to33, & - math_Mandel33to6, & math_eigenValuesVectorsSym, & math_tensorproduct33, & math_symmetric33, & + math_mul33xx33, & math_mul33x3 use material, only: & material_phase, & phase_plasticityInstance, & - phaseAt, phasememberAt - use lattice, only: & - lattice_Sslip, & - lattice_Sslip_v, & - lattice_Stwin, & - lattice_Stwin_v, & - lattice_Strans, & - lattice_Strans_v, & - lattice_maxNslipFamily,& - lattice_maxNtwinFamily, & - lattice_maxNtransFamily, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_NtransSystem, & - lattice_shearTwin, & - lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & - LATTICE_fcc_ID + phasememberAt implicit none - integer(pInt), intent(in) :: ipc,ip,el - real(pReal), intent(in) :: Temperature - real(pReal), dimension(6), intent(in) :: Tstar_v - real(pReal), dimension(3,3), intent(out) :: Lp - real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 + real(pReal), dimension(3,3), intent(out) :: Lp + real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp + real(pReal), dimension(3,3), intent(in) :: Mp + integer(pInt), intent(in) :: instance,of + real(pReal), intent(in) :: Temperature - integer(pInt) :: instance,ph,of,ns,nt,nr,f,i,j,k,l,m,n,index_myFamily,s1,s2 - real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, & - Ndot0_trans,StressRatio_s - real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 - real(pReal), dimension(plastic_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - gdot_slip,dgdot_dtauslip,tau_slip - real(pReal), dimension(plastic_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - gdot_twin,dgdot_dtautwin,tau_twin - real(pReal), dimension(plastic_dislotwin_totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - gdot_trans,dgdot_dtautrans,tau_trans - real(pReal), dimension(6) :: gdot_sb,dgdot_dtausb,tau_sb - real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix + integer(pInt) :: i,k,l,m,n,s1,s2 + real(pReal) :: f_unrotated,StressRatio_p,& + StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & + Ndot0_trans,StressRatio_s, & + dgdot_dtau, & + tau + real(pReal), dimension(param(instance)%totalNslip) :: & + gdot_slip,dgdot_dtau_slip + real(pReal), dimension(param(instance)%totalNtwin) :: & + gdot_twin,dgdot_dtau_twin + real(pReal):: gdot_sb,gdot_trans + real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3) :: eigValues, sb_s, sb_m logical :: error real(pReal), dimension(3,6), parameter :: & @@ -1707,239 +998,104 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature 0, 1,-1, & 0, 1, 1 & ],pReal),[ 3,6]) - !* Shortened notation - of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + + type(tParameters) :: prm !< parameters of present instance + type(tDislotwinState) :: ste !< state of present instance + + associate(prm => param(instance), stt => state(instance), mse => microstructure(instance)) + + f_unrotated = 1.0_pReal & + - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & + - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & + - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) Lp = 0.0_pReal - dLp_dTstar3333 = 0.0_pReal + dLp_dMp = 0.0_pReal -!-------------------------------------------------------------------------------------------------- -! Dislocation glide part - gdot_slip = 0.0_pReal - dgdot_dtauslip = 0.0_pReal - j = 0_pInt - slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - slipSystemsLoop: do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) - j = j+1_pInt + call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau_slip) + slipContribution: do i = 1_pInt, prm%totalNslip + Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) + enddo slipContribution - !* Calculation of Lp - !* Resolved shear stress on slip system - tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + !ToDo: Why do this before shear banding? + Lp = Lp * f_unrotated + dLp_dMp = dLp_dMp * f_unrotated + + shearBandingContribution: if(dNeq0(prm%sbVelocity)) then - if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)*& - plastic_dislotwin_v0PerSlipSystem(j,instance) - - !* Shear rates due to slip - gdot_slip(j) = DotGamma0 & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** plastic_dislotwin_qPerSlipFamily(f,instance)) & - * sign(1.0_pReal,tau_slip(j)) - - !* Derivatives of shear rates - dgdot_dtauslip(j) = & - abs(gdot_slip(j))*BoltzmannRatio*plastic_dislotwin_pPerSlipFamily(f,instance)& - *plastic_dislotwin_qPerSlipFamily(f,instance)/& - (plastic_dislotwin_SolidSolutionStrength(instance)+plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))*& - StressRatio_pminus1*(1-StressRatio_p)**(plastic_dislotwin_qPerSlipFamily(f,instance)-1.0_pReal) - endif - - !* Plastic velocity gradient for dislocation glide - Lp = Lp + gdot_slip(j)*lattice_Sslip(:,:,1,index_myFamily+i,ph) - - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& - lattice_Sslip(k,l,1,index_myFamily+i,ph)*& - lattice_Sslip(m,n,1,index_myFamily+i,ph) - enddo slipSystemsLoop - enddo slipFamiliesLoop - -!-------------------------------------------------------------------------------------------------- -! correct Lp and dLp_dTstar3333 for twinned and transformed fraction - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + BoltzmannRatio = prm%sbQedge/(kB*Temperature) + call math_eigenValuesVectorsSym(Mp,eigValues,eigVectors,error) - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) - Lp = Lp * (1.0_pReal - sumf - sumftr) - dLp_dTstar3333 = dLp_dTstar3333 * (1.0_pReal - sumf - sumftr) - -!-------------------------------------------------------------------------------------------------- -! Shear banding (shearband) part - if(dNeq0(plastic_dislotwin_sbVelocity(instance)) .and. dNeq0(plastic_dislotwin_sbResistance(instance))) then - gdot_sb = 0.0_pReal - dgdot_dtausb = 0.0_pReal - call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) - do j = 1_pInt,6_pInt - sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) - sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) - sb_Smatrix = math_tensorproduct33(sb_s,sb_m) - plastic_dislotwin_sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) + do i = 1_pInt,6_pInt + sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,i)) + sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,i)) + Schmid_shearBand = math_tensorproduct33(sb_s,sb_m) + tau = math_mul33xx33(Mp,Schmid_shearBand) - !* Calculation of Lp - !* Resolved shear stress on shear banding system - tau_sb(j) = dot_product(Tstar_v,plastic_dislotwin_sbSv(1:6,j,ipc,ip,el)) - - !* Stress ratios - if (abs(tau_sb(j)) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else - StressRatio_p = (abs(tau_sb(j))/plastic_dislotwin_sbResistance(instance))& - **plastic_dislotwin_pShearBand(instance) - StressRatio_pminus1 = (abs(tau_sb(j))/plastic_dislotwin_sbResistance(instance))& - **(plastic_dislotwin_pShearBand(instance)-1.0_pReal) - endif - - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_sbQedge(instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = plastic_dislotwin_sbVelocity(instance) + significantShearBandStress: if (abs(tau) > tol_math_check) then + StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand + gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau) + dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & + * (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) & + * (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal) - !* Shear rates due to shearband - gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qShearBand(instance))*sign(1.0_pReal,tau_sb(j)) - - !* Derivatives of shear rates - dgdot_dtausb(j) = & - ((abs(gdot_sb(j))*BoltzmannRatio*& - plastic_dislotwin_pShearBand(instance)*plastic_dislotwin_qShearBand(instance))/& - plastic_dislotwin_sbResistance(instance))*& - StressRatio_pminus1*(1_pInt-StressRatio_p)**(plastic_dislotwin_qShearBand(instance)-1.0_pReal) - - !* Plastic velocity gradient for shear banding - Lp = Lp + gdot_sb(j)*sb_Smatrix - - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& - sb_Smatrix(k,l)*& - sb_Smatrix(m,n) + Lp = Lp + gdot_sb * Schmid_shearBand + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) + endif significantShearBandStress enddo - end if + + endif shearBandingContribution -!-------------------------------------------------------------------------------------------------- -! Mechanical twinning part - gdot_twin = 0.0_pReal - dgdot_dtautwin = 0.0_pReal - j = 0_pInt - twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - twinSystemsLoop: do i = 1_pInt,plastic_dislotwin_Ntwin(f,instance) - j = j+1_pInt - - !* Calculation of Lp - !* Resolved shear stress on twin system - tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) + call kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) + gdot_twin = f_unrotated * gdot_twin + dgdot_dtau_twin = f_unrotated * dgdot_dtau_twin + twinContibution: do i = 1_pInt, prm%totalNtwin + Lp = Lp + gdot_twin(i)*prm%Schmid_twin(1:3,1:3,i) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) + enddo twinContibution - !* Stress ratios - if (tau_twin(j) > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**plastic_dislotwin_rPerTwinFamily(f,instance) - !* Shear rates and their derivatives due to twin - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_twin(j) < plastic_dislotwin_tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_twin(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_twin(j,instance)-tau_twin(j)))) - else - Ndot0_twin=0.0_pReal - end if - case default - Ndot0_twin=plastic_dislotwin_Ndot0PerTwinSystem(j,instance) - end select - gdot_twin(j) = & - (1.0_pReal-sumf-sumftr)*lattice_shearTwin(index_myFamily+i,ph)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*plastic_dislotwin_rPerTwinFamily(f,instance))/tau_twin(j))*StressRatio_r - endif - - !* Plastic velocity gradient for mechanical twinning - Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,ph) - - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& - lattice_Stwin(k,l,index_myFamily+i,ph)*& - lattice_Stwin(m,n,index_myFamily+i,ph) - enddo twinSystemsLoop - enddo twinFamiliesLoop + transConstribution: do i = 1_pInt, prm%totalNtrans - !* Phase transformation part - gdot_trans = 0.0_pReal - dgdot_dtautrans = 0.0_pReal - j = 0_pInt - transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily - index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - transSystemsLoop: do i = 1_pInt,plastic_dislotwin_Ntrans(f,instance) - j = j+1_pInt + tau = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) - !* Resolved shear stress on transformation system - tau_trans(j) = dot_product(Tstar_v,lattice_Strans_v(:,index_myFamily+i,ph)) + significantTransStress: if (tau > tol_math_check) then + StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) - !* Stress ratios - if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**plastic_dislotwin_sPerTransFamily(f,instance) - !* Shear rates and their derivatives due to transformation - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_trans(j) < plastic_dislotwin_tau_r_trans(j,instance)) then - Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_trans(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_trans(j,instance)-tau_trans(j)))) - else - Ndot0_trans=0.0_pReal - end if - case default - Ndot0_trans=plastic_dislotwin_Ndot0PerTransSystem(j,instance) - end select - gdot_trans(j) = & - (1.0_pReal-sumf-sumftr)*& - state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) - dgdot_dtautrans(j) = ((gdot_trans(j)*plastic_dislotwin_sPerTransFamily(f,instance))/tau_trans(j))*StressRatio_s - endif + isFCCtrans: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_trans(i,of)) then + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_trans*prm%burgers_slip(i))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(mse%tau_r_trans(i,of)-tau))) + else + Ndot0_trans=0.0_pReal + end if + else isFCCtrans + Ndot0_trans=prm%Ndot0_trans(i) + endif isFCCtrans - !* Plastic velocity gradient for phase transformation - Lp = Lp + gdot_trans(j)*lattice_Strans(:,:,index_myFamily+i,ph) + gdot_trans = mse%martensiteVolume(i,of) * Ndot0_trans*exp(-StressRatio_s) + gdot_trans = f_unrotated * gdot_trans + dgdot_dtau = ((gdot_trans*prm%s(i))/tau)*StressRatio_s + Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i) + + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau * prm%Schmid_trans(k,l,i)* prm%Schmid_trans(m,n,i) + endif significantTransStress - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtautrans(j)*& - lattice_Strans(k,l,index_myFamily+i,ph)*& - lattice_Strans(m,n,index_myFamily+i,ph) + enddo transConstribution - enddo transSystemsLoop - enddo transFamiliesLoop - - dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333) + end associate end subroutine plastic_dislotwin_LpAndItsTangent @@ -1947,598 +1103,596 @@ end subroutine plastic_dislotwin_LpAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) +subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) use prec, only: & tol_math_check, & dEq0 use math, only: & + math_mul33xx33, & + math_Mandel6to33, & pi use material, only: & material_phase, & phase_plasticityInstance, & plasticState, & - phaseAt, phasememberAt - use lattice, only: & - lattice_Sslip_v, & - lattice_Stwin_v, & - lattice_Strans_v, & - lattice_maxNslipFamily, & - lattice_maxNtwinFamily, & - lattice_maxNtransFamily, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_NtransSystem, & - lattice_sheartwin, & - lattice_mu, & - lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & - lattice_fccTobcc_transNucleationTwinPair, & - lattice_fccTobcc_shearCritTrans, & - LATTICE_fcc_ID + phasememberAt implicit none - real(pReal), dimension(6), intent(in):: & - Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation - real(pReal), intent(in) :: & + real(pReal), dimension(3,3), intent(in):: & + Mp !< Mandel stress + real(pReal), intent(in) :: & temperature !< temperature at integration point - integer(pInt), intent(in) :: & - ipc, & !< component-ID of integration point - ip, & !< integration point - el !< element + integer(pInt), intent(in) :: & + instance, & + of - integer(pInt) :: instance,ns,nt,nr,f,i,j,index_myFamily,s1,s2, & - ph, & - of - real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& + integer(pInt) :: i,s1,s2 + real(pReal) :: f_unrotated,StressRatio_p,BoltzmannRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & - DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation - real(pReal), dimension(plastic_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - gdot_slip,tau_slip + DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & + tau + real(pReal), dimension(plasticState(instance)%Nslip) :: & + gdot_slip - real(pReal), dimension(plastic_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - tau_twin - real(pReal), dimension(plastic_dislotwin_totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - tau_trans - !* Shortened notation - of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + type(tParameters) :: prm + type(tDislotwinState) :: stt, dot + type(tDislotwinMicrostructure) :: mse - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 - plasticState(ph)%dotState(:,of) = 0.0_pReal - - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) - - !* Dislocation density evolution - gdot_slip = 0.0_pReal - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family - j = j+1_pInt - - !* Resolved shear stress on slip system - tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) - if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - plasticState(ph)%state(j, of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)*& - plastic_dislotwin_v0PerSlipSystem(j,instance) - - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau_slip(j)) - endif - !* Multiplication - DotRhoMultiplication = abs(gdot_slip(j))/& - (plastic_dislotwin_burgersPerSlipSystem(j,instance)*state(instance)%mfp_slip(j,of)) - !* Dipole formation - EdgeDipMinDistance = & - plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance) - if (dEq0(tau_slip(j))) then - DotRhoDipFormation = 0.0_pReal - else - EdgeDipDistance = & - (3.0_pReal*lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(j,instance))/& - (16.0_pReal*pi*abs(tau_slip(j))) - if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) - if (EdgeDipDistance tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& - tau_twin(j))**plastic_dislotwin_rPerTwinFamily(f,instance) - !* Shear rates and their derivatives due to twin - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_twin(j) < plastic_dislotwin_tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_twin(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_twin(j,instance)-tau_twin(j)))) - else - Ndot0_twin=0.0_pReal - end if - case default - Ndot0_twin=plastic_dislotwin_Ndot0PerTwinSystem(j,instance) - end select - dotState(instance)%twinFraction(j,of) = & - (1.0_pReal-sumf-sumftr)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - !* Dotstate for accumulated shear due to twin - dotState(instance)%accshear_twin(j,of) = dotState(instance)%twinFraction(j,of) * & - lattice_sheartwin(index_myfamily+i,ph) - endif - enddo - enddo + associate(prm => param(instance), stt => state(instance), & + dot => dotstate(instance), mse => microstructure(instance)) - !* Transformation volume fraction evolution - j = 0_pInt - do f = 1_pInt,lattice_maxNtransFamily ! loop over all trans families - index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Ntrans(f,instance) ! process each (active) trans system in family - j = j+1_pInt + dot%whole(:,of) = 0.0_pReal - !* Resolved shear stress on transformation system - tau_trans(j) = dot_product(Tstar_v,lattice_Strans_v(:,index_myFamily+i,ph)) + f_unrotated = 1.0_pReal & + - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & + - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & + - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - !* Stress ratios - if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& - tau_trans(j))**plastic_dislotwin_sPerTransFamily(f,instance) - !* Shear rates and their derivatives due to transformation - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_trans(j) < plastic_dislotwin_tau_r_trans(j,instance)) then - Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_trans(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_trans(j,instance)-tau_trans(j)))) - else - Ndot0_trans=0.0_pReal - end if - case default - Ndot0_trans=plastic_dislotwin_Ndot0PerTransSystem(j,instance) - end select - dotState(instance)%strainTransFraction(j,of) = & - (1.0_pReal-sumf-sumftr)*& - state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) + call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip) + slipState: do i = 1_pInt, prm%totalNslip + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) + + DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*mse%mfp_slip(i,of)) + EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(i) + + significantSlipStress2: if (dEq0(tau)) then + DotRhoDipFormation = 0.0_pReal + else significantSlipStress2 + EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(i))/(16.0_pReal*PI*abs(tau)) + if (EdgeDipDistance>mse%mfp_slip(i,of)) EdgeDipDistance = mse%mfp_slip(i,of) + if (EdgeDipDistance tol_math_check) then + StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i) + isFCCtwin: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_twin(i,of)) then + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_twin*prm%burgers_slip(i))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_twin(i,of)-tau))) + else + Ndot0_twin=0.0_pReal + end if + else isFCCtwin + Ndot0_twin=prm%Ndot0_twin(i) + endif isFCCtwin + dot%twinFraction(i,of) = f_unrotated * mse%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) + dot%accshear_twin(i,of) = dot%twinFraction(i,of) * prm%shear_twin(i) + endif significantTwinStress + + enddo twinState + + transState: do i = 1_pInt, prm%totalNtrans + + tau = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) + + significantTransStress: if (tau > tol_math_check) then + StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) + isFCCtrans: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_trans(i,of)) then + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_trans*prm%burgers_slip(i))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_trans(i,of)-tau))) + else + Ndot0_trans=0.0_pReal + end if + else isFCCtrans + Ndot0_trans=prm%Ndot0_trans(i) + endif isFCCtrans + dot%strainTransFraction(i,of) = f_unrotated * & + mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation - !dotState(instance)%accshear_trans(j,of) = dotState(instance)%strainTransFraction(j,of) * & + !dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * & ! lattice_sheartrans(index_myfamily+i,ph) - endif - - enddo - enddo + endif significantTransStress + + enddo transState + end associate end subroutine plastic_dislotwin_dotState + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates shear rates on slip systems +!-------------------------------------------------------------------------------------------------- +pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau_slip) + use prec, only: & + tol_math_check, & + dNeq0 + use math, only: & + math_mul33xx33 + + implicit none + type(tParameters), intent(in) :: & + prm + type(tDislotwinState), intent(in) :: & + stt + integer(pInt), intent(in) :: & + of + type(tDislotwinMicrostructure), intent(in) :: & + mse + real(pReal), dimension(prm%totalNslip), intent(out) :: & + gdot_slip + real(pReal), dimension(prm%totalNslip), optional, intent(out) :: & + dgdot_dtau_slip + real(pReal), dimension(prm%totalNslip) :: & + dgdot_dtau + real(pReal), dimension(3,3), intent(in) :: & + Mp + real(pReal), intent(in) :: & + temperature + + real, dimension(prm%totalNslip) :: & + tau, & + stressRatio, & + StressRatio_p, & + BoltzmannRatio, & + v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned) + v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned) + dV_wait_inverse_dTau, & + dV_run_inverse_dTau, & + dV_dTau, & + tau_eff !< effective resolved stress + integer(pInt) :: i + + do i = 1_pInt, prm%totalNslip + tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) + enddo + tau_eff = abs(tau)-mse%threshold_stress_slip(:,of) + + significantStress: where(tau_eff > tol_math_check) + stressRatio = tau_eff/(prm%SolidSolutionStrength+prm%tau_peierls) + StressRatio_p = stressRatio** prm%p + BoltzmannRatio = prm%Qedge/(kB*Temperature) + v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) + v_run_inverse = prm%B/(tau_eff*prm%burgers_slip) + + gdot_slip = sign(stt%rhoEdge(:,of)*prm%burgers_slip/(v_wait_inverse+v_run_inverse),tau) + + dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & + * (stressRatio**(prm%p-1.0_pReal)) & + * (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) & + / (prm%SolidSolutionStrength+prm%tau_peierls) + dV_run_inverse_dTau = v_run_inverse/tau_eff + dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & + / (v_wait_inverse+v_run_inverse)**2.0_pReal + dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%burgers_slip + else where significantStress + gdot_slip = 0.0_pReal + dgdot_dtau = 0.0_pReal + end where significantStress + if(present(dgdot_dtau_slip)) dgdot_dtau_slip = dgdot_dtau + +end subroutine kinetics_slip + + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates shear rates on twin systems +!-------------------------------------------------------------------------------------------------- +pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) + use prec, only: & + tol_math_check, & + dNeq0 + use math, only: & + math_mul33xx33 + + implicit none + type(tParameters), intent(in) :: & + prm + type(tDislotwinState), intent(in) :: & + stt + integer(pInt), intent(in) :: & + of + type(tDislotwinMicrostructure), intent(in) :: & + mse + real(pReal), dimension(prm%totalNslip), intent(out) :: & + gdot_slip + real(pReal), dimension(prm%totalNtwin), intent(out) :: & + gdot_twin + real(pReal), dimension(prm%totalNtwin), optional, intent(out) :: & + dgdot_dtau_twin + real(pReal), dimension(3,3), intent(in) :: & + Mp + real(pReal), intent(in) :: & + temperature + + real, dimension(prm%totalNtwin) :: & + tau, & + Ndot0_twin, & + stressRatio_r, & + dgdot_dtau + + integer(pInt) :: i,s1,s2 + + do i = 1_pInt, prm%totalNtwin + tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) + isFCC: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau(i) < mse%tau_r_twin(i,of)) then + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_twin*prm%burgers_slip(i))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_twin(i,of)-tau))) + else + Ndot0_twin=0.0_pReal + end if + else isFCC + Ndot0_twin=prm%Ndot0_twin(i) + endif isFCC + enddo + + + significantStress: where(tau > tol_math_check) + StressRatio_r = (mse%threshold_stress_twin(:,of)/tau)**prm%r + gdot_twin = prm%shear_twin * mse%twinVolume(:,of) * Ndot0_twin*exp(-StressRatio_r) + dgdot_dtau = ((gdot_twin*prm%r)/tau)*StressRatio_r + else where significantStress + gdot_twin = 0.0_pReal + dgdot_dtau = 0.0_pReal + end where significantStress + + if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau + +end subroutine kinetics_twin + + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates shear rates on transformation systems +!-------------------------------------------------------------------------------------------------- +pure subroutine kinetics_trans(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_trans,dgdot_dtau_trans) + use prec, only: & + tol_math_check, & + dNeq0 + use math, only: & + math_mul33xx33 + + implicit none + type(tParameters), intent(in) :: & + prm + type(tDislotwinState), intent(in) :: & + stt + integer(pInt), intent(in) :: & + of + type(tDislotwinMicrostructure), intent(in) :: & + mse + real(pReal), dimension(prm%totalNslip), intent(out) :: & + gdot_slip + real(pReal), dimension(prm%totalNtrans), intent(out) :: & + gdot_trans + real(pReal), dimension(prm%totalNtrans), optional, intent(out) :: & + dgdot_dtau_trans + real(pReal), dimension(3,3), intent(in) :: & + Mp + real(pReal), intent(in) :: & + temperature + + real, dimension(prm%totalNtrans) :: & + tau, & + Ndot0_trans, & + stressRatio_r, & + dgdot_dtau + + integer(pInt) :: i,s1,s2 + + do i = 1_pInt, prm%totalNtrans + tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) + isFCC: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau(i) < mse%tau_r_trans(i,of)) then + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_trans*prm%burgers_slip(i))*& ! burgers_slip correct? + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_trans(i,of)-tau))) + else + Ndot0_trans=0.0_pReal + end if + else isFCC + Ndot0_trans=prm%Ndot0_trans(i) + endif isFCC + enddo +! +! +! endif isFCCtrans +! dot%strainTransFraction(i,of) = f_unrotated * & +! mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) +! !* Dotstate for accumulated shear due to transformation +! !dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * & +! ! lattice_sheartrans(index_myfamily+i,ph) +! endif significantTransStress +! +! enddo transState +! +! +! significantStress: where(tau > tol_math_check) +! StressRatio_r = (mse%threshold_stress_twin(:,of)/tau)**prm%r +! gdot_twin = prm%shear_twin * mse%twinVolume(:,of) * Ndot0_twin*exp(-StressRatio_r) +! dgdot_dtau = ((gdot_twin*prm%r)/tau)*StressRatio_r +! else where significantStress +! gdot_twin = 0.0_pReal +! dgdot_dtau = 0.0_pReal +! end where significantStress +! +! if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau +! +end subroutine kinetics_trans + !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- -function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) +function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postResults) use prec, only: & tol_math_check, & dEq0 use math, only: & - pi, & - math_Mandel6to33, & - math_eigenValuesSym33, & - math_eigenValuesVectorsSym33 + PI, & + math_mul33xx33, & + math_Mandel6to33 use material, only: & material_phase, & + plasticState, & phase_plasticityInstance,& - phaseAt, phasememberAt - use lattice, only: & - lattice_Sslip_v, & - lattice_Stwin_v, & - lattice_maxNslipFamily, & - lattice_maxNtwinFamily, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_shearTwin, & - lattice_mu, & - lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & - LATTICE_fcc_ID + phasememberAt implicit none - real(pReal), dimension(6), intent(in) :: & - Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + real(pReal), dimension(3,3),intent(in) :: & + Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation real(pReal), intent(in) :: & temperature !< temperature at integration point integer(pInt), intent(in) :: & - ipc, & !< component-ID of integration point - ip, & !< integration point - el !< element - - real(pReal), dimension(plastic_dislotwin_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & - plastic_dislotwin_postResults - integer(pInt) :: & - instance,& - ns,nt,nr,& - f,o,i,c,j,index_myFamily,& - s1,s2, & - ph, & + instance, & of - real(pReal) :: sumf,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & + + real(pReal), dimension(sum(plastic_dislotwin_sizePostResult(:,instance))) :: & + postResults + + integer(pInt) :: & + o,c,j,& + s1,s2 + real(pReal) :: sumf_twin,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & stressRatio - real(preal), dimension(plastic_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(param(instance)%totalNslip) :: & gdot_slip - real(pReal), dimension(3,3) :: eigVectors - real(pReal), dimension (3) :: eigValues - !* Shortened notation - of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + type(tParameters) :: prm + type(tDislotwinState) :: stt + type(tDislotwinMicrostructure) :: mse + - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + associate(prm => param(instance), stt => state(instance), mse => microstructure(instance)) + + sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) - !* Required output c = 0_pInt - plastic_dislotwin_postResults = 0.0_pReal - do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(plastic_dislotwin_outputID(o,instance)) + postResults = 0.0_pReal + do o = 1_pInt,size(prm%outputID) + select case(prm%outputID(o)) - case (edge_density_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = state(instance)%rhoEdge(1_pInt:ns,of) - c = c + ns - case (dipole_density_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = state(instance)%rhoEdgeDip(1_pInt:ns,of) - c = c + ns - case (shear_rate_slip_ID) - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family - j = j + 1_pInt ! could be taken from state by now! + case (edge_density_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (dipole_density_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (shear_rate_slip_ID) + call kinetics_slip(prm,stt,mse,of,Mp,temperature,postResults(c+1:c+prm%totalNslip)) + c = c + prm%totalNslip + case (accumulated_shear_slip_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (mfp_slip_ID) + postResults(c+1_pInt:c+prm%totalNslip) = mse%mfp_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (resolved_stress_slip_ID) + do j = 1_pInt, prm%totalNslip + postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) + enddo + c = c + prm%totalNslip + case (threshold_stress_slip_ID) + postResults(c+1_pInt:c+prm%totalNslip) = mse%threshold_stress_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (edge_dipole_distance_ID) + do j = 1_pInt, prm%totalNslip + postResults(c+j) = (3.0_pReal*prm%mu*prm%burgers_slip(j)) & + / (16.0_pReal*PI*abs(math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)))) + postResults(c+j)=min(postResults(c+j),mse%mfp_slip(j,of)) + ! postResults(c+j)=max(postResults(c+j),& + ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) + enddo + c = c + prm%totalNslip + ! case (resolved_stress_shearband_ID) + ! do j = 1_pInt,6_pInt ! loop over all shearband families + ! postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + ! enddo + ! c = c + 6_pInt + ! case (shear_rate_shearband_ID) + ! do j = 1_pInt,6_pInt ! loop over all shearbands + ! tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + ! if (abs(tau) < tol_math_check) then + ! StressRatio_p = 0.0_pReal + ! StressRatio_pminus1 = 0.0_pReal + ! else + ! StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand + ! StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) + ! endif + ! BoltzmannRatio = prm%sbQedge/(kB*Temperature) + ! DotGamma0 = prm%sbVelocity + ! postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& + ! sign(1.0_pReal,tau) + ! enddo + ! c = c + 6_pInt + case (twin_fraction_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (shear_rate_twin_ID) + do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) + if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then + StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **prm%p(j) + StressRatio_pminus1 = ((abs(tau)-mse%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - !* Resolved shear stress on slip system - tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) - !* Stress ratios - if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)* & - plastic_dislotwin_v0PerSlipSystem(j,instance) - - !* Shear rates due to slip - plastic_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + prm%q(j))*sign(1.0_pReal,tau) + else + gdot_slip(j) = 0.0_pReal + endif + enddo + + do j = 1_pInt, prm%totalNtwin + tau = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) + + if ( tau > 0.0_pReal ) then + isFCCtwin: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) + if (tau < mse%tau_r_twin(j,of)) then + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_twin* prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (mse%tau_r_twin(j,of)-tau))) else - plastic_dislotwin_postResults(c+j) = 0.0_pReal - endif - - enddo ; enddo - c = c + ns - case (accumulated_shear_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = & - state(instance)%accshear_slip(1_pInt:ns,of) - c = c + ns - case (mfp_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) =& - state(instance)%mfp_slip(1_pInt:ns,of) - c = c + ns - case (resolved_stress_slip_ID) - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family - j = j + 1_pInt - plastic_dislotwin_postResults(c+j) =& - dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) - enddo; enddo - c = c + ns - case (threshold_stress_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = & - state(instance)%threshold_stress_slip(1_pInt:ns,of) - c = c + ns - case (edge_dipole_distance_ID) - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family - j = j + 1_pInt - plastic_dislotwin_postResults(c+j) = & - (3.0_pReal*lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(j,instance))/& - (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)))) - plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),& - state(instance)%mfp_slip(j,of)) - ! plastic_dislotwin_postResults(c+j)=max(plastic_dislotwin_postResults(c+j),& - ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) - enddo; enddo - c = c + ns - case (resolved_stress_shearband_ID) - do j = 1_pInt,6_pInt ! loop over all shearband families - plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v, & - plastic_dislotwin_sbSv(1:6,j,ipc,ip,el)) - enddo - c = c + 6_pInt - case (shear_rate_shearband_ID) - do j = 1_pInt,6_pInt ! loop over all shearbands - !* Resolved shear stress on shearband system - tau = dot_product(Tstar_v,plastic_dislotwin_sbSv(1:6,j,ipc,ip,el)) - !* Stress ratios - if (abs(tau) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else - StressRatio_p = (abs(tau)/plastic_dislotwin_sbResistance(instance))**& - plastic_dislotwin_pShearBand(instance) - StressRatio_pminus1 = (abs(tau)/plastic_dislotwin_sbResistance(instance))**& - (plastic_dislotwin_pShearBand(instance)-1.0_pReal) - endif - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_sbQedge(instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = plastic_dislotwin_sbVelocity(instance) - ! Shear rate due to shear band - plastic_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**plastic_dislotwin_qShearBand(instance))*& - sign(1.0_pReal,tau) - enddo - c = c + 6_pInt - case (twin_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%twinFraction(1_pInt:nt,of) - c = c + nt - case (shear_rate_twin_ID) - if (nt > 0_pInt) then - - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family - j = j + 1_pInt - - !* Resolved shear stress on slip system - tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) - !* Stress ratios - if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)* & - plastic_dislotwin_v0PerSlipSystem(j,instance) - - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) - else - gdot_slip(j) = 0.0_pReal - endif - enddo;enddo + Ndot0_twin=0.0_pReal + end if + else isFCCtwin + Ndot0_twin=prm%Ndot0_twin(j) + endif isFCCtwin + StressRatio_r = (mse%threshold_stress_twin(j,of)/tau) **prm%r(j) + postResults(c+j) = (prm%MaxTwinFraction-sumf_twin)*prm%shear_twin(j) & + * mse%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + endif + enddo + c = c + prm%totalNtwin + case (accumulated_shear_twin_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%accshear_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (mfp_twin_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = mse%mfp_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (resolved_stress_twin_ID) + do j = 1_pInt, prm%totalNtwin + postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) + enddo + c = c + prm%totalNtwin + case (threshold_stress_twin_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = mse%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (stress_exponent_ID) + do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) + if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then + StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **prm%p(j) + StressRatio_pminus1 = ((abs(tau)-mse%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1,plastic_dislotwin_Ntwin(f,instance) ! process each (active) twin system in family - j = j + 1_pInt + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + prm%q(j))*sign(1.0_pReal,tau) - tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) - - - !* Shear rates due to twin - if ( tau > 0.0_pReal ) then - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau < plastic_dislotwin_tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_twin(instance)*& - plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_twin(j,instance)-tau))) - else - Ndot0_twin=0.0_pReal - end if - case default - Ndot0_twin=plastic_dislotwin_Ndot0PerTwinSystem(j,instance) - end select - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & - **plastic_dislotwin_rPerTwinFamily(f,instance) - plastic_dislotwin_postResults(c+j) = & - (plastic_dislotwin_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - endif - - enddo ; enddo - endif - c = c + nt - case (accumulated_shear_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%accshear_twin(1_pInt:nt,of) - c = c + nt - case (mfp_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%mfp_twin(1_pInt:nt,of) - c = c + nt - case (resolved_stress_twin_ID) - if (nt > 0_pInt) then - j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Ntwin(f,instance) ! process each (active) slip system in family - j = j + 1_pInt - plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) - enddo; enddo - endif - c = c + nt - case (threshold_stress_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%threshold_stress_twin(1_pInt:nt,of) - c = c + nt - case (stress_exponent_ID) - j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family - j = j + 1_pInt - - !* Resolved shear stress on slip system - tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) - if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)* & - plastic_dislotwin_v0PerSlipSystem(j,instance) - - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) - - !* Derivatives of shear rates - dgdot_dtauslip = & - abs(gdot_slip(j))*BoltzmannRatio*plastic_dislotwin_pPerSlipFamily(f,instance)& - *plastic_dislotwin_qPerSlipFamily(f,instance)/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))*& - StressRatio_pminus1*(1-StressRatio_p)**(plastic_dislotwin_qPerSlipFamily(f,instance)-1.0_pReal) - - else - gdot_slip(j) = 0.0_pReal - dgdot_dtauslip = 0.0_pReal - endif - - !* Stress exponent - plastic_dislotwin_postResults(c+j) = & - merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) - enddo ; enddo - c = c + ns - case (sb_eigenvalues_ID) - plastic_dislotwin_postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(math_Mandel6to33(Tstar_v)) - c = c + 3_pInt - case (sb_eigenvectors_ID) - call math_eigenValuesVectorsSym33(math_Mandel6to33(Tstar_v),eigValues,eigVectors) - plastic_dislotwin_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) - c = c + 9_pInt - case (stress_trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nr) = & - state(instance)%stressTransFraction(1_pInt:nr,of) - c = c + nr - case (strain_trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nr) = & - state(instance)%strainTransFraction(1_pInt:nr,of) - c = c + nr - case (trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nr) = & - state(instance)%stressTransFraction(1_pInt:nr,of) + & - state(instance)%strainTransFraction(1_pInt:nr,of) - c = c + nr - end select + dgdot_dtauslip = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) *prm%q(j)/& + (prm%SolidSolutionStrength+ prm%tau_peierls(j))*& + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) + else + gdot_slip(j) = 0.0_pReal + dgdot_dtauslip = 0.0_pReal + endif + postResults(c+j) = merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) + enddo + c = c + prm%totalNslip + case (stress_trans_fraction_ID) + postResults(c+1_pInt:c+prm%totalNtrans) = stt%stressTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans + case (strain_trans_fraction_ID) + postResults(c+1_pInt:c+prm%totalNtrans) = stt%strainTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans + end select enddo + end associate end function plastic_dislotwin_postResults end module plastic_dislotwin diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index 9d30cf184..57d48d109 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -32,10 +32,7 @@ module plastic_phenopowerlaw totalvolfrac_twin_ID end enum - type, private :: tParameters !< container type for internal constitutive parameters - integer(pInt) :: & - totalNslip, & - totalNtwin + type, private :: tParameters real(pReal) :: & gdot0_slip, & !< reference shear strain rate for slip gdot0_twin, & !< reference shear strain rate for twin @@ -50,45 +47,48 @@ module plastic_phenopowerlaw h0_TwinSlip, & !< reference hardening twin - slip h0_TwinTwin, & !< reference hardening twin - twin a_slip, & - aTolResistance, & ! default absolute tolerance 1 Pa - aTolShear, & ! default absolute tolerance 1e-6 - aTolTwinfrac ! default absolute tolerance 1e-6 - integer(pInt), dimension(:), allocatable :: & - Nslip, & !< active number of slip systems per family - Ntwin !< active number of twin systems per family - real(pReal), dimension(:), allocatable :: & + aTolResistance, & !< absolute tolerance for integration of xi + aTolShear, & !< absolute tolerance for integration of gamma + aTolTwinfrac !< absolute tolerance for integration of f + real(pReal), allocatable, dimension(:) :: & xi_slip_0, & !< initial critical shear stress for slip xi_twin_0, & !< initial critical shear stress for twin xi_slip_sat, & !< maximum critical shear stress for slip nonSchmidCoeff, & H_int, & !< per family hardening activity (optional) !ToDo: Better name! gamma_twin_char !< characteristic shear for twins - real(pReal), dimension(:,:), allocatable :: & + real(pReal), allocatable, dimension(:,:) :: & interaction_SlipSlip, & !< slip resistance from slip activity interaction_SlipTwin, & !< slip resistance from twin activity interaction_TwinSlip, & !< twin resistance from slip activity interaction_TwinTwin !< twin resistance from twin activity - real(pReal), dimension(:,:,:), allocatable :: & + real(pReal), allocatable, dimension(:,:,:) :: & Schmid_slip, & Schmid_twin, & nonSchmid_pos, & nonSchmid_neg - integer(kind(undefined_ID)), dimension(:), allocatable :: & - outputID !< ID of each post result output - end type + integer(pInt) :: & + totalNslip, & !< total number of active slip system + totalNtwin !< total number of active twin systems + integer(pInt), allocatable, dimension(:) :: & + Nslip, & !< number of active slip systems for each family + Ntwin !< number of active twin systems for each family + integer(kind(undefined_ID)), allocatable, dimension(:) :: & + outputID !< ID of each post result output + end type !< container type for internal constitutive parameters type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type, private :: tPhenopowerlawState - real(pReal), pointer, dimension(:,:) :: & + real(pReal), pointer, dimension(:) :: & + sumGamma, & ! ToDo: why not make a dependent state? + sumF ! ToDo: why not make a dependent state? + real(pReal), pointer, dimension(:,:) :: & xi_slip, & xi_twin, & gamma_slip, & gamma_twin, & whole - real(pReal), pointer, dimension(:) :: & - sumGamma, & - sumF end type type(tPhenopowerlawState), allocatable, dimension(:), private :: & @@ -115,6 +115,7 @@ subroutine plastic_phenopowerlaw_init compiler_options #endif use prec, only: & + pStringLen, & dEq0 use debug, only: & debug_level, & @@ -130,6 +131,7 @@ subroutine plastic_phenopowerlaw_init phase_plasticity, & phase_plasticityInstance, & phase_Noutput, & + material_allocatePlasticState, & PLASTICITY_PHENOPOWERLAW_LABEL, & PLASTICITY_PHENOPOWERLAW_ID, & material_phase, & @@ -138,20 +140,17 @@ subroutine plastic_phenopowerlaw_init MATERIAL_partPhase, & config_phase use lattice - use numerics,only: & - numerics_integrator implicit none - integer(pInt) :: & - maxNinstance, & - instance,p,j,k, o, i,& + Ninstance, & + p, i, & NipcMyPhase, outputSize, & - sizeState,sizeDotState, & + sizeState, sizeDotState, & startIndex, endIndex - integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] - real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] + integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] + real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] type(tParameters) :: & @@ -163,152 +162,151 @@ subroutine plastic_phenopowerlaw_init integer(kind(undefined_ID)) :: & outputID !< ID of each post result output - character(len=512) :: & - extmsg = '', & - structure = '' - character(len=65536), dimension(:), allocatable :: outputs + character(len=pStringLen) :: & + structure = '',& + extmsg = '' + character(len=65536), dimension(:), allocatable :: & + outputs write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - maxNinstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt) + Ninstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt) if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & - write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance + write(6,'(a16,1x,i5,/)') '# instances:',Ninstance - allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) - allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),maxNinstance)) + allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt) + allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),Ninstance)) plastic_phenopowerlaw_output = '' - allocate(param(maxNinstance)) ! one container of parameters per instance - allocate(state(maxNinstance)) - allocate(dotState(maxNinstance)) + allocate(param(Ninstance)) + allocate(state(Ninstance)) + allocate(dotState(Ninstance)) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle - instance = phase_plasticityInstance(p) - associate(prm => param(instance),stt => state(instance),dot => dotState(instance)) - extmsg = '' + associate(prm => param(phase_plasticityInstance(p)), & + dot => dotState(phase_plasticityInstance(p)), & + stt => state(phase_plasticityInstance(p))) - structure = config_phase(p)%getString('lattice_structure') + structure = config_phase(p)%getString('lattice_structure') +!-------------------------------------------------------------------------------------------------- +! optional parameters that need to be defined + prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal) + prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal) + prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal) + prm%twinE = config_phase(p)%getFloat('twin_e',defaultVal=0.0_pReal) + + prm%aTolResistance = config_phase(p)%getFloat('atol_resistance',defaultVal=1.0_pReal) + prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal) + prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal) + + ! sanity checks + if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//'aTolresistance ' + if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear ' + if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//'atoltwinfrac ' + +!-------------------------------------------------------------------------------------------------- +! slip related parameters prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) - if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) & - call IO_error(150_pInt,ext_msg='Nslip') - if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) & - call IO_error(150_pInt,ext_msg='Nslip') - slipActive: if (prm%totalNslip > 0_pInt) then - prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) - ! reading in slip related parameters + if(structure=='bcc') then + prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',& + defaultVal = emptyRealArray) + prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) + prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) + else + prm%nonSchmid_pos = prm%Schmid_slip + prm%nonSchmid_neg = prm%Schmid_slip + endif + prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & + config_phase(p)%getFloats('interaction_slipslip'), & + structure(1:3)) + prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip)) prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip)) - prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip,config_phase(p)%getFloats('interaction_slipslip'), & - structure(1:3)) prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), & defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))]) - prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',& - defaultVal = emptyRealArray ) - if(structure=='bcc') then - prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) - prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) - else - prm%nonSchmid_pos = prm%Schmid_slip - prm%nonSchmid_neg = prm%Schmid_slip - endif + prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip') prm%n_slip = config_phase(p)%getFloat('n_slip') prm%a_slip = config_phase(p)%getFloat('a_slip') prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip') - ! sanity checks for slip related parameters - if (any(prm%xi_slip_0 < 0.0_pReal .and. prm%Nslip > 0_pInt)) & - extmsg = trim(extmsg)//"xi_slip_0 " - if (any(prm%xi_slip_sat < prm%xi_slip_0 .and. prm%Nslip > 0_pInt)) & - extmsg = trim(extmsg)//"xi_slip_sat " - - if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_slip " - if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//"a_slip " ! ToDo: negative values ok? - if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//"n_slip " ! ToDo: negative values ok? - - ! expand slip related parameters from system => family - prm%xi_slip_0 = math_expand(prm%xi_slip_0,prm%Nslip) + ! expand: family => system + prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip) prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip) - prm%H_int = math_expand(prm%H_int,prm%Nslip) + prm%H_int = math_expand(prm%H_int, prm%Nslip) + + ! sanity checks + if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_slip ' + if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//'a_slip ' ! ToDo: negative values ok? + if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//'n_slip ' ! ToDo: negative values ok? + if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//'xi_slip_0 ' + if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//'xi_slip_sat ' else slipActive allocate(prm%interaction_SlipSlip(0,0)) allocate(prm%xi_slip_0(0)) endif slipActive +!-------------------------------------------------------------------------------------------------- +! twin related parameters prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) prm%totalNtwin = sum(prm%Ntwin) - if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) & - call IO_error(150_pInt,ext_msg='Ntwin') - if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) & - call IO_error(150_pInt,ext_msg='Ntwin') - twinActive: if (prm%totalNtwin > 0_pInt) then prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) - ! reading in twin related parameters + prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& + config_phase(p)%getFloats('interaction_twintwin'), & + structure(1:3)) + prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),& + config_phase(p)%getFloat('c/a')) + prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin)) - prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,config_phase(p)%getFloats('interaction_twintwin'), & - structure(1:3)) - prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin') - prm%n_twin = config_phase(p)%getFloat('n_twin') - prm%spr = config_phase(p)%getFloat('s_pr') - prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin') + prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin') + prm%n_twin = config_phase(p)%getFloat('n_twin') + prm%spr = config_phase(p)%getFloat('s_pr') + prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin') - ! sanity checks for twin related parameters - if (any(prm%xi_twin_0 < 0.0_pReal .and. prm%Ntwin > 0_pInt)) & - extmsg = trim(extmsg)//"xi_twin_0 " - if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_twin " - if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//"n_twin " ! ToDo: negative values ok? + ! expand: family => system + prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin) - ! expand slip related parameters from system => family - prm%xi_twin_0 = math_expand(prm%xi_twin_0,prm%Ntwin) + ! sanity checks + if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_twin ' + if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//'n_twin ' ! ToDo: negative values ok? else twinActive allocate(prm%interaction_TwinTwin(0,0)) allocate(prm%xi_twin_0(0)) endif twinActive - prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),& - config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) - +!-------------------------------------------------------------------------------------------------- +! slip-twin related parameters slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& - config_phase(p)%getFloats('interaction_sliptwin'), & - structure(1:3)) + config_phase(p)%getFloats('interaction_sliptwin'), & + structure(1:3)) prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& - config_phase(p)%getFloats('interaction_twinslip'), & - structure(1:3)) + config_phase(p)%getFloats('interaction_twinslip'), & + structure(1:3)) else slipAndTwinActive - allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension 0 - allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension 0 + allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0 + allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0 prm%h0_TwinSlip = 0.0_pReal endif slipAndTwinActive - ! optional parameters that should be defined - prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal) - prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal) - prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal) - prm%twinE = config_phase(p)%getFloat('twin_e',defaultVal=0.0_pReal) - - prm%aTolResistance = config_phase(p)%getFloat('atol_resistance',defaultVal=1.0_pReal) - prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal) - prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal) - - if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//"aTolresistance " - if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//"aTolShear " - if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//"atoltwinfrac " - - if (extmsg /= '') call IO_error(211_pInt,ip=instance,& - ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')') +!-------------------------------------------------------------------------------------------------- +! exit if any parameter is out of range + if (extmsg /= '') & + call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')') +!-------------------------------------------------------------------------------------------------- +! output pararameters outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray) allocate(prm%outputID(0)) do i=1_pInt, size(outputs) @@ -349,8 +347,8 @@ subroutine plastic_phenopowerlaw_init end select if (outputID /= undefined_ID) then - plastic_phenopowerlaw_output(i,instance) = outputs(i) - plastic_phenopowerlaw_sizePostResult(i,instance) = outputSize + plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i) + plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize prm%outputID = [prm%outputID , outputID] endif @@ -361,32 +359,12 @@ subroutine plastic_phenopowerlaw_init NipcMyPhase = count(material_phase == p) ! number of IPCs containing my phase sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip & + size(['tau_twin ','gamma_twin']) * prm%TotalNtwin & - + size(['sum(gamma)','sum(f) ']) - -!-------------------------------------------------------------------------------------------------- -! ToDo: This could be done by a function (in constitutive?) + + size(['sum(gamma)','sum(f) ']) ! ToDo: only needed if either twin or slip active! sizeDotState = sizeState - plasticState(p)%sizeState = sizeState - plasticState(p)%sizeDotState = sizeDotState - plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance)) - plasticState(p)%nSlip = prm%totalNslip - plasticState(p)%nTwin = prm%totalNtwin - allocate(plasticState(p)%aTolState ( sizeState), source=0.0_pReal) - allocate(plasticState(p)%state0 ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%partionedState0 ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%subState0 ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%state ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%deltaState (0_pInt,NipcMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase),source=0.0_pReal) - allocate(plasticState(p)%previousDotState2(sizeDotState,NipcMyPhase),source=0.0_pReal) - endif - if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase), source=0.0_pReal) + call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & + prm%totalNslip,prm%totalNtwin,0_pInt) + plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p))) !-------------------------------------------------------------------------------------------------- @@ -432,7 +410,7 @@ subroutine plastic_phenopowerlaw_init dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear - plasticState(p)%state0 = plasticState(p)%state + plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally dot%whole => plasticState(p)%dotState end associate @@ -544,25 +522,21 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg) dot%sumGamma(of) = sum(dot%gamma_slip(:,of)) call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of)) - if (stt%sumF(of) < 0.98_pReal) dot%sumF(of) = sum(dot%gamma_twin(:,of)/prm%gamma_twin_char) + if (prm%totalNtwin > 0_pInt) dot%sumF(of) = merge(sum(dot%gamma_twin(:,of)/prm%gamma_twin_char), & + 0.0_pReal, & + stt%sumF(of) < 0.98_pReal) !-------------------------------------------------------------------------------------------------- ! hardening hardeningSlip: do i = 1_pInt, prm%totalNslip - dot%xi_slip(i,of) = & - c_SlipSlip * left_SlipSlip(i) & - * dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) & - + & - dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of)) + dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) & + * c_SlipSlip * left_SlipSlip(i) & + + dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of)) enddo hardeningSlip hardeningTwin: do i = 1_pInt, prm%totalNtwin - dot%xi_twin(i,of) = & - c_TwinSlip & - * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) & - + & - c_TwinTwin & - * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of)) + dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) & + + c_TwinTwin * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of)) enddo hardeningTwin end associate @@ -572,7 +546,7 @@ end subroutine plastic_phenopowerlaw_dotState !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on slip systems and derivatives with respect to resolved stress -!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the +!> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the !> result (i.e. intent(out)) variables are the last to have the optional arguments at the end !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, & @@ -602,26 +576,39 @@ pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, & tau_slip_pos, & tau_slip_neg integer(pInt) :: i + logical :: nonSchmidActive + + nonSchmidActive = size(prm%nonSchmidCoeff) > 0_pInt do i = 1_pInt, prm%totalNslip - tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - tau_slip_neg(i) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) + tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) + tau_slip_neg(i) = merge(math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)), & + 0.0_pReal, nonSchmidActive) enddo - gdot_slip_pos = 0.5_pReal*prm%gdot0_slip & - * sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos) - gdot_slip_neg = 0.5_pReal*prm%gdot0_slip & - * sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg) + where(dNeq0(tau_slip_pos)) + gdot_slip_pos = prm%gdot0_slip * merge(0.5_pReal,1.0_pReal, nonSchmidActive) & ! 1/2 if non-Schmid active + * sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos) + else where + gdot_slip_pos = 0.0_pReal + end where + + where(dNeq0(tau_slip_neg)) + gdot_slip_neg = 0.5_pReal*prm%gdot0_slip & + * sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg) + else where + gdot_slip_neg = 0.0_pReal + end where if (present(dgdot_dtau_slip_pos)) then - where(dNeq0(tau_slip_pos)) + where(dNeq0(gdot_slip_pos)) dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_slip/tau_slip_pos else where dgdot_dtau_slip_pos = 0.0_pReal end where endif if (present(dgdot_dtau_slip_neg)) then - where(dNeq0(tau_slip_neg)) + where(dNeq0(gdot_slip_neg)) dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_slip/tau_slip_neg else where dgdot_dtau_slip_neg = 0.0_pReal @@ -633,7 +620,7 @@ end subroutine kinetics_slip !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on twin systems and derivatives with respect to resolved stress -!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the +!> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the !> result (i.e. intent(out)) variables are the last to have the optional arguments at the end !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin) @@ -663,11 +650,15 @@ pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin) do i = 1_pInt, prm%totalNtwin tau_twin(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) enddo - gdot_twin = merge((1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin, & - 0.0_pReal, tau_twin>0.0_pReal) + + where(tau_twin > 0.0_pReal) + gdot_twin = (1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin + else where + gdot_twin = 0.0_pReal + end where if (present(dgdot_dtau_twin)) then - where(dNeq0(tau_twin)) + where(dNeq0(gdot_twin)) dgdot_dtau_twin = gdot_twin*prm%n_twin/tau_twin else where dgdot_dtau_twin = 0.0_pReal @@ -681,14 +672,8 @@ end subroutine kinetics_twin !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults) - use material, only: & - material_phase, & - plasticState, & - phasememberAt, & - phase_plasticityInstance use math, only: & - math_mul33xx33, & - math_Mandel6to33 + math_mul33xx33 implicit none real(pReal), dimension(3,3), intent(in) :: & @@ -701,7 +686,7 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults) postResults integer(pInt) :: & - o,c,i,j + o,c,i real(pReal), dimension(param(instance)%totalNslip) :: & gdot_slip_pos,gdot_slip_neg