added slip and twin systems for hcp lattice structure
added straightforward 48x48 interaction matrix
This commit is contained in:
Yun Jo Ro
parent
7faaa8532c
commit
b3814020f3
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@ -22,21 +22,28 @@ integer(pInt), parameter :: lattice_MaxLatticeStructure = 3
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!* Total number of slip systems per lattice structure
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!* (has to be changed according the definition of slip systems)
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integer(pInt), dimension(lattice_MaxLatticeStructure), parameter :: lattice_MaxNslipOfStructure = &
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reshape((/12,48,12/),(/lattice_MaxLatticeStructure/))
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reshape((/12,48,24/),(/lattice_MaxLatticeStructure/))
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!* Total number of twin systems per lattice structure
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!* (has to be changed according the definition of twin systems)
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integer(pInt), dimension(lattice_MaxLatticeStructure), parameter :: lattice_MaxNtwinOfStructure = &
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reshape((/12,0,0/),(/lattice_MaxLatticeStructure/))
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reshape((/12,0,24/),(/lattice_MaxLatticeStructure/))
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!* Maximum number of slip systems over lattice structures
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integer(pInt), parameter :: lattice_MaxMaxNslipOfStructure = 48
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!* Maximum number of twin systems over lattice structures
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integer(pInt), parameter :: lattice_MaxMaxNtwinOfStructure = 12
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!* Maximum number of twin systems over lattice structures, changed form 12 to 24 (yj.ro)
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integer(pInt), parameter :: lattice_MaxMaxNtwinOfStructure = 24
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!* Slip direction, slip normales and Schmid matrices
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real(pReal), dimension(3,3,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: lattice_Sslip
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real(pReal), dimension(6,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: lattice_Sslip_v
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real(pReal), dimension(3,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: lattice_sn
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real(pReal), dimension(3,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: lattice_sd
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real(pReal), dimension(3,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: lattice_st
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!* HCP - slip direction, slip normal (4 indices): Prof. Tom Bieler, Leeyun, YJRO
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real(pReal), dimension(4,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: Hlattice_sn
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real(pReal), dimension(4,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: Hlattice_sd
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real(pReal), dimension(3,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: H_lattice_sn
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real(pReal), dimension(3,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: H_lattice_sd
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!* twin direction, twin normales, Schmid matrices and transformation matrices
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real(pReal), dimension(3,3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: lattice_Stwin
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real(pReal), dimension(6,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: lattice_Stwin_v
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@ -44,8 +51,18 @@ real(pReal), dimension(3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStruct
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real(pReal), dimension(3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: lattice_td
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real(pReal), dimension(3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: lattice_tt
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real(pReal), dimension(3,3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: lattice_Qtwin
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!* HCP - twin direction, twin normales for 4 indices: Prof. Tom Bieler, Leeyun, YJR
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real(pReal), dimension(4,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: Hlattice_tn
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real(pReal), dimension(4,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: Hlattice_td
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real(pReal), dimension(3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: H_lattice_tn
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real(pReal), dimension(3,lattice_MaxMaxNtwinOfStructure,lattice_MaxLatticeStructure) :: H_lattice_td
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real(pReal), dimension(lattice_MaxLatticeStructure), parameter :: lattice_TwinShear = &
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reshape((/0.7071067812,0.7071067812,0.7071067812/),(/lattice_MaxLatticeStructure/)) ! Depends surely on c/a ratio for HCP
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!* Slip_slip interaction matrices
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integer(pInt), dimension(lattice_MaxMaxNslipOfStructure,lattice_MaxMaxNslipOfStructure,lattice_MaxLatticeStructure) :: &
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lattice_SlipIntType
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@ -247,65 +264,210 @@ data lattice_SlipIntType(48,:,2)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2
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!*** Slip systems for HCP structures (3) ***
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!* Basal systems {0001}<1120> (independent of c/a-ratio)
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!* 1- (0 0 0 1)[-2 1 1 0]
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!* 2- (0 0 0 1)[ 1 -2 1 0]
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!* 3- (0 0 0 1)[ 1 1 -2 0]
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!* Plane (hkil)->(hkl)
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!* Direction [uvtw]->[(u-t) (v-t) w]
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!* Automatical transformation from Bravais to Miller
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!* 1- [2 -1 -1 0](0 0 0 1)
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!* 2- [-1 2 -1 0](0 0 0 1)
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!* 3- [-1 -1 2 0](0 0 0 1)
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!* Automatical transformation from Bravais (4 axes coorinate system) to Miller (in ortho-hexagonal coordinate system)
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!* not done for the moment
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!* Sort?
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data lattice_sd(:, 1,3)/-1, 0, 0/ ; data lattice_sn(:, 1,3)/ 0, 0, 1/
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data lattice_sd(:, 2,3)/ 0,-1, 0/ ; data lattice_sn(:, 2,3)/ 0, 0, 1/
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data lattice_sd(:, 3,3)/ 1, 1, 0/ ; data lattice_sn(:, 3,3)/ 0, 0, 1/
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!* Sort? Changed order of slip system and sign of Burges vector (Tom Bieler, yj.ro)
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data Hlattice_sd(:, 1,3)/ 2, -1, -1, 0/ ; data Hlattice_sn(:, 1,3)/ 0, 0, 0, 1/
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data Hlattice_sd(:, 2,3)/-1, 2, -1, 0/ ; data Hlattice_sn(:, 2,3)/ 0, 0, 0, 1/
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data Hlattice_sd(:, 3,3)/-1, -1, 2, 0/ ; data Hlattice_sn(:, 3,3)/ 0, 0, 0, 1/
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!* 1st type prismatic systems {1010}<1120> (independent of c/a-ratio)
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!* 1- ( 0 1 -1 0)[-2 1 1 0]
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!* 2- ( 1 0 -1 0)[ 1 -2 1 0]
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!* 3- (-1 1 0 0)[ 1 1 -2 0]
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!* Sort?
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data lattice_sd(:, 4,3)/-1, 0, 0/ ; data lattice_sn(:, 4,3)/ 0, 1, 0/
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data lattice_sd(:, 5,3)/ 0,-1, 0/ ; data lattice_sn(:, 5,3)/ 1, 0, 0/
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data lattice_sd(:, 6,3)/ 1, 1, 0/ ; data lattice_sn(:, 6,3)/-1, 1, 0/
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!* 4- [ 2 -1 -1 0]( 0 1 -1 0)
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!* 5- [-1 2 -1 0]( 1 0 -1 0)
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!* 6- [-1 -1 2 0](-1 1 0 0)
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!* Sort? Changed order of slip system and sign of Burges vector (yj.ro)
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data Hlattice_sd(:, 4,3)/ 2, -1, -1, 0/ ; data Hlattice_sn(:, 4,3)/ 0, 1, -1, 0/
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data Hlattice_sd(:, 5,3)/-1, 2, -1, 0/ ; data Hlattice_sn(:, 5,3)/ 1, 0, -1, 0/
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data Hlattice_sd(:, 6,3)/-1, -1, 2, 0/ ; data Hlattice_sn(:, 6,3)/-1, 1, 0, 0/
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!* 1st type 1st order pyramidal systems {1011}<1120>
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!* plane normales depend on the c/a-ratio
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!* 1- ( 0 -1 1 1)[-2 1 1 0]
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!* 2- ( 0 1 -1 1)[-2 1 1 0]
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!* 3- (-1 0 1 1)[ 1 -2 1 0]
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!* 4- ( 1 0 -1 1)[ 1 -2 1 0]
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!* 5- (-1 1 0 1)[ 1 1 -2 0]
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!* 6- ( 1 -1 0 1)[ 1 1 -2 0]
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!* Sort?
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data lattice_sd(:, 7,3)/-1, 0, 0/ ; data lattice_sn(:, 7,3)/ 0,-1, 1/
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data lattice_sd(:, 8,3)/ 0,-1, 0/ ; data lattice_sn(:, 8,3)/ 0, 1, 1/
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data lattice_sd(:, 9,3)/ 1, 1, 0/ ; data lattice_sn(:, 9,3)/-1, 0, 1/
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data lattice_sd(:,10,3)/-1, 0, 0/ ; data lattice_sn(:,10,3)/ 1, 0, 1/
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data lattice_sd(:,11,3)/ 0,-1, 0/ ; data lattice_sn(:,11,3)/-1, 1, 1/
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data lattice_sd(:,12,3)/ 1, 1, 0/ ; data lattice_sn(:,12,3)/ 1,-1, 1/
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!* 7- [ 2 -1 -1 0]( 0 1 -1 1)
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!* 8- [-1 2 -1 0]( 1 0 -1 1)
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!* 9- [-1 -1 2 0](-1 1 0 1)
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!* 10- [ 2 -1 -1 0]( 0 -1 1 1)
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!* 11- [-1 2 -1 0](-1 0 1 1)
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!* 12- [-1 -1 2 0]( 1 -1 0 1)
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!* Sort? Changed order of slip system and sign of Burges vector (Tom Bieler, yj.ro)
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data Hlattice_sd(:, 7,3)/ 2, -1, -1, 0/ ; data Hlattice_sn(:, 7,3)/ 0, 1, -1, 1/
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data Hlattice_sd(:, 8,3)/-1, 2, -1, 0/ ; data Hlattice_sn(:, 8,3)/ 1, 0, -1, 1/
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data Hlattice_sd(:, 9,3)/-1, -1, 2, 0/ ; data Hlattice_sn(:, 9,3)/-1, 1, 0, 1/
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data Hlattice_sd(:,10,3)/ 2, -1, -1, 0/ ; data Hlattice_sn(:,10,3)/ 0, -1, 1, 1/
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data Hlattice_sd(:,11,3)/-1, 2, -1, 0/ ; data Hlattice_sn(:,11,3)/-1, 0, 1, 1/
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data Hlattice_sd(:,12,3)/-1, -1, 2, 0/ ; data Hlattice_sn(:,12,3)/ 1, -1, 0, 1/
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!* pyramidal system: c+a slip {1011}<2113>
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!* plane normales depend on the c/a-ratio
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!* added by Tom Bieler, yj.ro
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!* 13- [ 2 -1 -1 -3]( 1 0 -1 1)
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!* 14- [ 1 1 -2 -3]( 1 0 -1 1)
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!* 15- [ 1 1 -2 -3]( 0 1 -1 1)
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!* 16- [-1 2 -1 -3]( 0 1 -1 1)
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!* 17- [-1 2 -1 -3](-1 1 0 1)
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!* 18- [-2 1 1 -3](-1 1 0 1)
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!* 19- [-2 1 1 -3](-1 0 1 1)
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!* 20- [-1 -1 2 -3](-1 0 1 1)
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!* 21- [-1 -1 2 -3]( 0 -1 1 1)
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!* 22- [ 1 -2 1 -3]( 0 -1 1 1)
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!* 23- [ 1 -2 1 -3]( 1 -1 0 1)
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!* 24- [ 2 -1 -1 -3]( 1 -1 0 1)
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data Hlattice_sd(:,13,3)/ 2, -1, -1, -3/ ; data Hlattice_sn(:,13,3)/ 1, 0, -1, 1/
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data Hlattice_sd(:,14,3)/ 1, 1, -2, -3/ ; data Hlattice_sn(:,14,3)/ 1, 0, -1, 1/
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data Hlattice_sd(:,15,3)/ 1, 1, -2, -3/ ; data Hlattice_sn(:,15,3)/ 0, 1, -1, 1/
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data Hlattice_sd(:,16,3)/-1, 2, -1, -3/ ; data Hlattice_sn(:,16,3)/ 0, 1, -1, 1/
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data Hlattice_sd(:,17,3)/-1, 2, -1, -3/ ; data Hlattice_sn(:,17,3)/-1, 1, 0, 1/
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data Hlattice_sd(:,18,3)/-2, 1, 1, -3/ ; data Hlattice_sn(:,18,3)/-1, 1, 0, 1/
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data Hlattice_sd(:,19,3)/-2, 1, 1, -3/ ; data Hlattice_sn(:,19,3)/-1, 0, 1, 1/
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data Hlattice_sd(:,20,3)/-1, -1, 2, -3/ ; data Hlattice_sn(:,20,3)/-1, 0, 1, 1/
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data Hlattice_sd(:,21,3)/-1, -1, 2, -3/ ; data Hlattice_sn(:,21,3)/ 0, -1, 1, 1/
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data Hlattice_sd(:,22,3)/ 1, -2, 1, -3/ ; data Hlattice_sn(:,22,3)/ 0, -1, 1, 1/
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data Hlattice_sd(:,23,3)/ 1, -2, 1, -3/ ; data Hlattice_sn(:,23,3)/ 1, -1, 0, 1/
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data Hlattice_sd(:,24,3)/ 2, -1, -1, -3/ ; data Hlattice_sn(:,24,3)/ 1, -1, 0, 1/
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!*** Twin systems for HCP structures (3) ***
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!* System {1012}<1011>
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!* Sort?
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!* Sort? Numbering of twin system follows Prof. Tom Bieler's scheme (to be consistent with his work); but numbering in data was restarted from 1 &
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!*(to be consistent with this code structure).
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!* MISSING: not implemented yet
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!* added by Tom Bieler, yj.ro
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!* (1012)<1011> Twin: shear 0.169 -1.26 compression
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!* 25- [-1 0 1 1]( 1 0 -1 2)
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!* 26- [ 0 -1 1 1]( 0 1 -1 2)
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!* 27- [ 1 -1 0 1](-1 1 0 2)
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!* 28- [ 1 0 -1 1](-1 0 1 2)
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!* 29- [ 0 1 -1 1]( 0 -1 1 2)
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!* 30- [-1 1 0 1]( 1 -1 0 2)
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data Hlattice_td(:, 1,3)/-1, 0, 1, 1/ ; data Hlattice_tn(:, 1,3)/ 1, 0, -1, 2/
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data Hlattice_td(:, 2,3)/ 0, -1, 1, 1/ ; data Hlattice_tn(:, 2,3)/ 0, 1, -1, 2/
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data Hlattice_td(:, 3,3)/ 1, -1, 0, 1/ ; data Hlattice_tn(:, 3,3)/-1, 1, 0, 2/
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data Hlattice_td(:, 4,3)/ 1, 0, -1, 1/ ; data Hlattice_tn(:, 4,3)/-1, 0, 1, 2/
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data Hlattice_td(:, 5,3)/ 0, 1, -1, 1/ ; data Hlattice_tn(:, 5,3)/ 0, -1, 1, 2/
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data Hlattice_td(:, 6,3)/-1, 1, 0, 1/ ; data Hlattice_tn(:, 6,3)/ 1, -1, 0, 2/
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!*(2112)<211-2> Twin: shear 0.224 1.19 tension
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!* 31- [ 2 -1 -1 -3]( 2 -1 -1 2)
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!* 32- [ 1 1 -2 -3]( 1 1 -2 2)
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!* 33- [-1 2 -1 -3](-1 2 -1 2)
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!* 34- [-2 1 1 -3](-2 1 1 2)
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!* 35- [-1 -1 2 -3](-1 -1 2 2)
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!* 36- [ 1 -2 1 -3]( 1 -2 1 2)
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data Hlattice_td(:, 7,3)/ 2, -1, -1, -3/ ; data Hlattice_tn(:, 7,3)/ 2, -1, -1, 2/
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data Hlattice_td(:, 8,3)/ 1, 1, -2, -3/ ; data Hlattice_tn(:, 8,3)/ 1, 1, -2, 2/
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data Hlattice_td(:, 9,3)/-1, 2, -1, -3/ ; data Hlattice_tn(:, 9,3)/-1, 2, -1, 2/
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data Hlattice_td(:,10,3)/-2, 1, 1, -3/ ; data Hlattice_tn(:,10,3)/-2, 1, 1, 2/
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data Hlattice_td(:,11,3)/-1, -1, 2, -3/ ; data Hlattice_tn(:,11,3)/-1, -1, 2, 2/
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data Hlattice_td(:,12,3)/1, -2, 1, -3/ ; data Hlattice_tn(:,12,3)/ 1, -2, 1, 2/
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!* (2111)<211-6> Twin: shear 0.628 -0.39 compressio
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!* 37- [-2 1 1 6]( 2 -1 -1 1)
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!* 38- [-1 -1 2 6]( 1 1 -2 1)
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!* 39- [ 1 -2 1 6](-1 2 -1 1)
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!* 40- [ 2 -1 -1 6](-2 1 1 1)
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!* 41- [ 1 1 -2 6](-1 -1 2 1)
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!* 42- [-1 2 -1 6]( 1 -2 1 1)
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data Hlattice_td(:,13,3)/-2, 1, 1, 6/ ; data Hlattice_tn(:,13,3)/ 2, -1, -1, 1/
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data Hlattice_td(:,14,3)/-1, -1, 2, 6/ ; data Hlattice_tn(:,14,3)/ 1, 1, -2, 1/
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data Hlattice_td(:,15,3)/ 1, -2, 1, 6/ ; data Hlattice_tn(:,15,3)/-1, 2, -1, 1/
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data Hlattice_td(:,16,3)/ 2, -1, -1, 6/ ; data Hlattice_tn(:,16,3)/-2, 1, 1, 1/
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data Hlattice_td(:,17,3)/ 1, 1, -2, 6/ ; data Hlattice_tn(:,17,3)/-1, -1, 2, 1/
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data Hlattice_td(:,18,3)/-1, 2, -1, 6/ ; data Hlattice_tn(:,18,3)/ 1, -2, 1, 1/
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!* (1011)<101-2> Twin: shear 0.103 1.09 tension
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!* 43- [ 1 0 -1 -2]( 1 0 -1 1)
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!* 44- [-1 0 1 -2](-1 0 1 1)
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!* 45- [ 0 1 -1 -2]( 0 1 -1 1)
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!* 46- [ 0 -1 2 -2]( 0 -1 1 1)
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!* 47- [ 1 -1 0 -2]( 1 -1 0 1)
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!* 48- [-1 1 0 -2](-1 1 0 1)
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data Hlattice_td(:,19,3)/ 1, 0, -1, -2/ ; data Hlattice_tn(:,19,3)/ 1, 0, -1, 1/
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data Hlattice_td(:,20,3)/-1, 0, 1, -2/ ; data Hlattice_tn(:,20,3)/-1, 0, 1, 1/
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data Hlattice_td(:,21,3)/ 0, 1, -1, -2/ ; data Hlattice_tn(:,21,3)/ 0, 1, -1, 1/
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data Hlattice_td(:,22,3)/ 0, -1, 1, -2/ ; data Hlattice_tn(:,22,3)/ 0, -1, 1, 1/
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data Hlattice_td(:,23,3)/ 1, -1, 0, -2/ ; data Hlattice_tn(:,23,3)/ 1, -1, 0, 1/
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data Hlattice_td(:,24,3)/-1, 1, 0, -2/ ; data Hlattice_tn(:,24,3)/-1, 1, 0, 1/
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!*** Slip-Slip interactions for HCP structures (3) ***
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data lattice_SlipIntType( 1,1:lattice_MaxNslipOfStructure(3),3)/1,2,2,2,2,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 2,1:lattice_MaxNslipOfStructure(3),3)/2,1,2,2,2,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 3,1:lattice_MaxNslipOfStructure(3),3)/2,2,1,2,2,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 4,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,1,2,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 5,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,1,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 6,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,1,2,2,2,2,2,2/
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data lattice_SlipIntType( 7,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,1,2,2,2,2,2/
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data lattice_SlipIntType( 8,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,1,2,2,2,2/
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data lattice_SlipIntType( 9,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,1,2,2,2/
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data lattice_SlipIntType(10,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,1,2,2/
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data lattice_SlipIntType(11,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,1,2/
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data lattice_SlipIntType(12,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,1/
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data lattice_SlipIntType( 1,1:lattice_MaxNslipOfStructure(3),3)/1,1,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 2,1:lattice_MaxNslipOfStructure(3),3)/1,1,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
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data lattice_SlipIntType( 3,1:lattice_MaxNslipOfStructure(3),3)/1,1,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType( 4,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType( 5,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType( 6,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType( 7,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType( 8,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType( 9,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(10,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(11,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(12,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(13,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(14,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(15,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(16,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(17,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(18,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2/
|
||||
data lattice_SlipIntType(19,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2/
|
||||
data lattice_SlipIntType(20,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2/
|
||||
data lattice_SlipIntType(21,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2/
|
||||
data lattice_SlipIntType(22,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2/
|
||||
data lattice_SlipIntType(23,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2/
|
||||
data lattice_SlipIntType(24,1:lattice_MaxNslipOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1/
|
||||
|
||||
!*** slip-twin interactions for HCP structures (3) ***
|
||||
! MISSING: not implemented yet
|
||||
data lattice_SlipTwinIntType( 1,1:lattice_MaxNtwinOfStructure(3),3)/1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 2,1:lattice_MaxNtwinOfStructure(3),3)/2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 3,1:lattice_MaxNtwinOfStructure(3),3)/2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 4,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 5,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 6,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 7,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 8,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType( 9,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(10,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(11,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(12,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(13,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(14,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(15,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(16,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(17,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(18,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(19,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(20,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2/
|
||||
data lattice_SlipTwinIntType(21,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2/
|
||||
data lattice_SlipTwinIntType(22,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2/
|
||||
data lattice_SlipTwinIntType(23,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2/
|
||||
data lattice_SlipTwinIntType(24,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1/
|
||||
|
||||
!*** Twin-twin interactions for HCP structures (3) ***
|
||||
! MISSING: not implemented yet
|
||||
data lattice_TwinIntType( 1,1:lattice_MaxNtwinOfStructure(3),3)/1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 2,1:lattice_MaxNtwinOfStructure(3),3)/2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 3,1:lattice_MaxNtwinOfStructure(3),3)/2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 4,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 5,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 6,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 7,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 8,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType( 9,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(10,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(11,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(12,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(13,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(14,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(15,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(16,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(17,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(18,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2,2/
|
||||
data lattice_TwinIntType(19,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2,2/
|
||||
data lattice_TwinIntType(20,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2,2/
|
||||
data lattice_TwinIntType(21,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2,2/
|
||||
data lattice_TwinIntType(22,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2/
|
||||
data lattice_TwinIntType(23,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2/
|
||||
data lattice_TwinIntType(24,1:lattice_MaxNtwinOfStructure(3),3)/2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1/
|
||||
|
||||
|
||||
|
||||
CONTAINS
|
||||
|
|
@ -334,6 +496,61 @@ implicit none
|
|||
!* Definition of variables
|
||||
integer(pInt) i,j,k,l
|
||||
real(pReal) norm_d,norm_t,norm_n
|
||||
real(pReal) norm_sn, norm_sd, norm_tn, norm_td, ratio
|
||||
|
||||
!*** Only HCP crystal: converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexgonal system (a, b, c)
|
||||
!* Plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a)): this has been changed to unit vector afterward.
|
||||
!* Direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]: this has been changed to unit vector afterward.
|
||||
!* Equations provided by Prof. Tom Bieler
|
||||
!* need to input "c/a rati"o in somewhere in mattax.mpie file(I am not sure where to insert this value for now????).
|
||||
|
||||
ratio = 1.56
|
||||
|
||||
do i = 1,lattice_MaxNslipOfStructure(3)
|
||||
|
||||
!* slip system conversion
|
||||
H_lattice_sn(1,i,3) = Hlattice_sn(1,i,3)
|
||||
H_lattice_sn(2,i,3) = (Hlattice_sn(1,i,3)+ 2.0*Hlattice_sn(2,i,3))/sqrt(3.0)
|
||||
H_lattice_sn(3,i,3) = Hlattice_sn(4,i,3)/ratio
|
||||
|
||||
norm_sn = dsqrt(H_lattice_sn(1,i,3)**2 + H_lattice_sn(2,i,3)**2 + H_lattice_sn(3,i,3)**2)
|
||||
|
||||
lattice_sn(1,i,3) = H_lattice_sn(1,i,3)/norm_sn
|
||||
lattice_sn(2,i,3) = H_lattice_sn(2,i,3)/norm_sn
|
||||
lattice_sn(3,i,3) = H_lattice_sn(3,i,3)/norm_sn
|
||||
|
||||
H_lattice_sd(1,i,3) = 1.5*Hlattice_sd(1,i,3)
|
||||
H_lattice_sd(2,i,3) = (Hlattice_sd(1,i,3) + 2.0*Hlattice_sd(2,i,3))*(sqrt(3.0)/2.0)
|
||||
H_lattice_sd(3,i,3) = Hlattice_sd(4,i,3)*ratio
|
||||
|
||||
norm_sd = dsqrt(H_lattice_sd(1,i,3)**2 + H_lattice_sd(2,i,3)**2 + H_lattice_sd(3,i,3)**2)
|
||||
|
||||
lattice_sd(1,i,3) = H_lattice_sd(1,i,3)/norm_sd
|
||||
lattice_sd(2,i,3) = H_lattice_sd(2,i,3)/norm_sd
|
||||
lattice_sd(3,i,3) = H_lattice_sd(3,i,3)/norm_sd
|
||||
|
||||
!* twin system conversion
|
||||
H_lattice_tn(1,i,3) = Hlattice_tn(1,i,3)
|
||||
H_lattice_tn(2,i,3) = (Hlattice_tn(1,i,3)+ 2.0*Hlattice_tn(2,i,3))/sqrt(3.0)
|
||||
H_lattice_tn(3,i,3) = Hlattice_tn(4,i,3)/ratio
|
||||
|
||||
norm_tn = dsqrt(H_lattice_tn(1,i,3)**2 + H_lattice_tn(2,i,3)**2 + H_lattice_tn(3,i,3)**2)
|
||||
|
||||
lattice_tn(1,i,3) = H_lattice_tn(1,i,3)/norm_tn
|
||||
lattice_tn(2,i,3) = H_lattice_tn(2,i,3)/norm_tn
|
||||
lattice_tn(3,i,3) = H_lattice_tn(3,i,3)/norm_tn
|
||||
|
||||
H_lattice_td(1,i,3) = 1.5*Hlattice_td(1,i,3)
|
||||
H_lattice_td(2,i,3) = (Hlattice_td(1,i,3)+ 2.0*Hlattice_td(2,i,3))*(sqrt(3.0)/2.0)
|
||||
H_lattice_td(3,i,3) = Hlattice_td(4,i,3)*ratio
|
||||
|
||||
norm_td = dsqrt(H_lattice_td(1,i,3)**2 + H_lattice_td(2,i,3)**2 + H_lattice_td(3,i,3)**2)
|
||||
|
||||
lattice_td(1,i,3) = H_lattice_td(1,i,3)/norm_td
|
||||
lattice_td(2,i,3) = H_lattice_td(2,i,3)/norm_td
|
||||
lattice_td(3,i,3) = H_lattice_td(3,i,3)/norm_td
|
||||
|
||||
enddo
|
||||
|
||||
!* Iteration over the lattice structures
|
||||
do l=1,lattice_MaxLatticeStructure
|
||||
|
|
@ -385,6 +602,25 @@ do l=1,lattice_MaxLatticeStructure
|
|||
enddo
|
||||
enddo
|
||||
|
||||
!*** printout schmid matrix (0nly Hexagonal structure)to check if the conversion is correctly done.
|
||||
|
||||
!* define the output location
|
||||
!open(7, FILE='slip.prn')
|
||||
!open(8, FILE='twin.prn')
|
||||
!
|
||||
!do k = 1,24
|
||||
! write(7,*) k
|
||||
! write(7,*) lattice_Sslip(1,1,k,3),lattice_Sslip(1,2,k,3),lattice_Sslip(1,3,k,3)
|
||||
! write(7,*) lattice_Sslip(2,1,k,3),lattice_Sslip(2,2,k,3),lattice_Sslip(2,3,k,3)
|
||||
! write(7,*) lattice_Sslip(3,1,k,3),lattice_Sslip(3,2,k,3),lattice_Sslip(3,3,k,3)
|
||||
! write(7,*)
|
||||
! write(8,*) k
|
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! write(8,*) lattice_Stwin(1,1,k,3),lattice_Stwin(2,2,k,3),lattice_Stwin(3,3,k,3)
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! write(8,*) lattice_Stwin(2,1,k,3),lattice_Stwin(2,2,k,3),lattice_Stwin(2,3,k,3)
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! write(8,*) lattice_Stwin(3,1,k,3),lattice_Stwin(3,2,k,3),lattice_Stwin(3,3,k,3)
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! write(8,*)
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!enddo
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end subroutine
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END MODULE
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|
|
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Reference in New Issue