b9a82156c9
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config
...
math.f90: added math_mul3333xx3333…
numerics.f90: to read in analyticJaco and Lp_frac
2012-02-22 20:11:09 +00:00
9bf5b9dc86
dotState=NaN enforces cutback, if evolution rates lead to negative densities
2012-02-22 16:08:22 +00:00
21db79ce25
automated copyright information seems to be very complicated, not working yet
2012-02-22 14:06:28 +00:00
e25f605838
still trying to add copyright information by keyword via svn
2012-02-22 13:56:03 +00:00
20fdd302d7
trying to add copyright information by keyword via svn
2012-02-22 13:47:39 +00:00
ca401292e7
2012-02-22 13:46:33 +00:00
ca59c9936f
trying to add copyright information by keyword via svn
2012-02-22 13:43:35 +00:00
b0e2707a94
trying to add copyright information by keyword via svn
2012-02-22 13:40:03 +00:00
d68a3d1869
added LF=UNIX to a bunch of files
2012-02-22 13:30:00 +00:00
d8ffc29236
again: adding pInt, removing redundant use statments, chang in dble to real(,pReal)
2012-02-21 16:31:37 +00:00
9dc730dea4
now getting path separator by counting slashes and backslashes in $PATH environment variable
2012-02-21 16:04:16 +00:00
79663a7f76
polishing: adding pInt, removing unused use-statements etc
2012-02-21 16:00:00 +00:00
23cda48709
cleaning up, removing includes not needed
2012-02-21 15:42:47 +00:00
87a83d82b7
changed assumed arrays (:) to properly defined ones (gfortran 4.7 was complaining) and remove use statements that are not needed
2012-02-21 15:39:36 +00:00
8dc6e256c0
choose textures and phases of example materials according to what the labels suggest
2012-02-21 13:16:59 +00:00
97b2240fe9
take absolute dislocation velocities when testing Courant-Friedrichs-Lewy condition
2012-02-21 13:11:47 +00:00
6c0f9d163b
polishing: removed variable names like 'unit' and 'data' that are keywords of fortran and ensured that integer and real precision matches independent of machine standard.
...
removed cut_off parameter for damask_spectral
removed outpot of derived divergence measures and added RMS output in brackets
added comments and options to the makefile
2012-02-15 18:58:38 +00:00
db06c797cd
store number of outputs for each instance of the constitution in constitutive_[j2/titanmod/...]_Nouput and use this value to loop over all valid outputs when determining the size of the outputs array
2012-02-14 15:19:59 +00:00
49a964aeda
removed public statement in derived data type causing trouble on older compilers
2012-02-14 13:56:35 +00:00
8f22d5a324
corrected geometry reconstruction (fluctuations were scaled wrong) and translated some comments from german to english
2012-02-14 13:43:36 +00:00
d9522bf588
minor changes, substituting implicit type conversions with explicit ones
2012-02-14 12:17:47 +00:00
30c55c3142
added check for unknown keywords again (in agreement with Philip ;-)
...
indeed 'constitution' and '/nonlocal/' are the only keywords which have to be ignored, since they are parsed elsewhere
2012-02-14 09:22:37 +00:00
9b73cb3c65
removed parameter check complaining about unknown keyword as default case. there are just too many keywords that do not trigger a variable assignment to cope with them (e.g. /nonlocal/, constitution, etc.)
...
I suggest to kill similar logic from other files if present somewhere...
2012-02-13 23:30:59 +00:00
c786336af3
reordered (and partly redistributed) error message identifiers, deleted those which are not in use anymore.
...
all constitutive as well numerics now raises an error, if an unknown keyword is found in the respective config file
2012-02-13 17:41:27 +00:00
dd51e1da81
changed calculation of gamma_hat back to (working, but theoretically wrong) order
2012-02-13 17:15:02 +00:00
94100e8d8e
missing line break
2012-02-13 15:21:03 +00:00
156ec4582a
polishing, adding _pInt etc. where applicable
...
post_results now handels zero increment different (like FEM, it is always there even if it is not counted)
2012-02-13 14:18:07 +00:00
f03e7c459c
small polishing, exchanged stops in math.f90 with calls to IO_error
2012-02-13 14:08:07 +00:00
a6864bf599
added missing 'dotF'
2012-02-13 12:41:44 +00:00
df07299f78
fixed bug concerning calculation of gamma operator and improved output to screen
2012-02-13 12:38:46 +00:00
fa32a00d56
changed symmetryID initialization to integer (instead of float) value
2012-02-10 17:46:43 +00:00
b211c13487
added "dotF" synonym to load case parsing.
2012-02-10 17:45:45 +00:00
1cc2315954
restructured algorithm, initialization now not longer within increments, lot of small improvements/polishing
...
makefile now calls compiler with lot of warning flags
2012-02-10 11:59:59 +00:00
37ac7bf1b4
fixing inconsistencies in variable assignments
2012-02-10 11:56:05 +00:00
cff66b5cc3
removed implicit type castings
2012-02-10 11:24:53 +00:00
26b4f886ba
whoops, accidentally removed _pInt in the IO_error calls which where previously added by Martin
2012-02-10 07:58:33 +00:00
ff53b9754b
somewhat better readable format without as much linebreaks
2012-02-10 07:50:29 +00:00
7a23833a39
removed line>132 characters, added _pInt when calling IO_error
2012-02-09 17:28:55 +00:00
0e2894f2b1
corrected handling of highest frequencies, polished and checked for standard compliance
2012-02-09 15:58:15 +00:00
724ec040a2
added pInts and pReals
2012-02-09 15:55:04 +00:00
dced3f9430
changed FFT reporting of dimension and resolution to one line each.
2012-02-09 13:18:59 +00:00
195491aaaa
added missing pInts
2012-02-09 12:35:55 +00:00
a26456f9c0
now handling capitals in restart argument correctly
2012-02-09 12:20:14 +00:00
e7d407c2f6
crystallite_Fp has to be initialized in crystallite_init, cause it is used by constitutive_microstructure
2012-02-03 14:52:09 +00:00
5ddade27fc
changed Peierls stress to more realistic values for fcc
2012-02-03 13:12:45 +00:00
d62eddc0cd
corrected kinetics law and changed parameters. For solid solution hardening there are 3 parameters: the activation energy, the concentration of obstacles that determines the activation length and meanfreepath, and the obstacle size that determines the activation volume. For the Peierls mechanism there is: the width of doublekinks that determines the activation volume and the Peierls stress for edge and screw.
...
Still testing needed to check whether the current formulation makes sense or not.
2012-02-03 12:50:54 +00:00
bbf4f25898
renamed subroutine "mesh_marc_get_mpieOptions" to "mesh_get_damaskOptions" which is now also used for abaqus and spectral input files. The only available option so far is "periodic", which allows for periodic fluxes in the specified direction. Examples for usage (add the following lines to the respective input file, in case of spectral file this goes into the header):
...
- periodicity in x and z direction for marc:
$damask periodic x z
- periodicity in y direction for abaqus:
**damask periodic y
- periodicity in x and y direction for spectral:
periodic y x
2012-02-03 12:37:52 +00:00
7e23f84d2c
new subroutine find_nearest_neigbor, basically a wrapper function for our purpose to kdtree2
...
split up kdtree2.f90 again from math.f90 to make the files better accessible
2012-02-02 15:57:22 +00:00
72aeb2113a
minor improvement on the still not working long (polarization field based) algorithm
2012-02-02 13:20:09 +00:00
faed4ec232
added deallocation of arrays (fftw_free)
2012-02-02 13:19:35 +00:00
2e4f2f3d9c
added _pInt where appropriate
2012-02-02 13:19:02 +00:00
683384681a
doing average correction now in Fourier space, now sure that the constant term is correct.
...
changed order of stress BC calculation/spectral method to avoid average calculation of stress in real space
2012-02-01 20:30:27 +00:00
c6fb2122be
added some comments for further debuggin/compliance with standard checking
2012-02-01 20:28:58 +00:00
c5128e94eb
some f2008 standard related correction i didn't check in last time
2012-02-01 20:20:05 +00:00
800e291240
made code standard conform to Fortran 2008 (ignoring warning concerning comments beyond character 132). Basically, changing "x" format specifier to "Nx" ("1x") plus removing $ format specifier
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added compiler switches for gfortran and ifort to check for standard conformity
old gnu compilers <4.4 are not longer supported because they don't provide the c binding for fftw
2012-01-31 19:18:55 +00:00
80583fefb5
added compilation_info.f90, to store compilation date,time and compiler info in each file
...
added #include statement at each init() routine
2012-01-31 14:54:49 +00:00
8cf67e1be6
corrected weighting of difference divergence measures, added some additional output and introduced exit code 0 for successful termination.
2012-01-30 20:25:04 +00:00
9464937db7
merge declaration and initialization with standard values
...
corrected handling of $DAMASK_NUM_THREADS
2012-01-30 20:16:19 +00:00
eeda357710
N^2 initialization loop (former spectralPictureMode) rewritten in material.f90
...
additional output in DAMASK_spectral_interface.f90
132 character cut off in constitutive_nonlocal.f90
rounding error in math.f90 complex number initialization (1.0_pReal)*2.0_pReal*pi
new $DAMASK_NUM_THREADS warning in numerics.f90 / IO.f90
polishing in DAMASK_spectral.f90
2012-01-30 13:52:41 +00:00
4edd824d8c
forgot homogenization.f90 in last commit
2012-01-26 13:51:01 +00:00
1330576a01
added new math function "math_deviatoric33" which returns the deviatoric part of a 3x3 tensor
...
renamed some math functions, so that we have a universal naming scheme: for matrix multiplications use an "x" (e.g. math_mul33x3); don't use the "x" to describe the shape of the tensor that the function is applied to (e.g. math_invert33 instead of math_invert3x3)
2012-01-26 13:50:00 +00:00
df931890e0
corrected typos
2012-01-26 12:50:04 +00:00
6fec57bbd7
replaced variable fraction by "timefraction"
2012-01-26 12:48:59 +00:00
5a658d1b82
dislocation velocity output for each dislocation type (edge+,edge-,screw+,screw-)
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for fcc constitutive_nonlocal_kinetics is called only once and the result is used for each dislocation type, for all other lattice structures we have one call for each dislocation type
2012-01-26 07:43:36 +00:00
e5407894b5
Reworked kinetics. Now there is a universal law which can be used for both fcc and bcc (and probably even hcp). It mainly consists of an athermal forest cutting part , solid solution and peierls as thermally activated processes, and viscous glide. Therefore, lots of new parameters in the material.config. Not sure yet if the values make sense though.
...
Also renamed some of the old parameters.
Unknown constitutive output raises error.
2012-01-25 17:04:37 +00:00
e6495c986b
corrected order of arguments for calling functions from python, small polishing in math.f90 (substituting manual summation by sum() )
2012-01-25 14:31:21 +00:00
fa372523a8
added and restructured comments
...
debugGeneral = .true. now enables the additional output
restructured the debug options
started to implement the long algorithm (with fluctuation field), not working at the moment, can be enabled via simplified_algorithm <1 in numerics.config
corrected calculation of RMS of divergence, now measures in real and fourier space match
2012-01-25 14:27:26 +00:00
884249aba8
removed hint how to patch fftw, added flag for gfortran to check if maximum length of source files do not exceed 132 characters
2012-01-25 14:24:08 +00:00
bd48620de2
improved Curl_fft, corrected Divergence_fft and added math_skew3x3
2012-01-25 10:30:39 +00:00
e7ac99eeca
for spectral solver, --restart XX sets restartReadInc to XX-1, meaning restartReadInc is the step to read and XX the step at which the calculation begins
2012-01-25 09:05:38 +00:00
656d7a68d2
one new error message for spectral solver
2012-01-25 09:00:40 +00:00
3e521e32a6
indroduced 3 more flags for fine control of spectral algorithm
2012-01-25 08:56:46 +00:00
52a43c3b32
improved help output and corrected triggering (-h, --help) of help
2012-01-25 08:54:37 +00:00
0cb90d4926
corrected debug_verbosity glitch (missed ">0" in logical expression)
2012-01-23 13:32:37 +00:00
4980f57fd5
added total Green-Lagrange strain to crystallite outputs
2012-01-20 10:25:35 +00:00
43bd667f78
switched array indices of curl_fft in accordance with math.f90
2012-01-19 20:39:33 +00:00
a13aeb045f
corrected curl_fft subroutine
2012-01-19 20:38:52 +00:00
1032ff3d47
corrected definition of element base node, which was still flawed
2012-01-19 14:15:26 +00:00
6c2a61e489
corrected node coordinates and sorting for spectral method
2012-01-17 16:53:56 +00:00
8739b9522e
dislocation stress does not add to stress field anymore, but is only available as constitutive output for purposes of postprocessing. instead, we now use a backstress term (which is added to the resolved shear stress) that depends on the gradient of excess density on the same slip system.
2012-01-17 10:26:57 +00:00
ab7b9247c7
final merge with edits dropped intermediately from rev 1190.
2012-01-16 15:10:16 +00:00
3a22bf7e27
changed fftw from legacy fortran to new (2003) fortran (calling c routines directly)
...
renamed "steps" consequently to "incs"
moved kdtree2 to math.f90, put original source to private folder
2012-01-13 16:18:16 +00:00
c644b2c24d
corrected rectifyPath function (did not work in case of more than one /../..)
2012-01-13 15:22:42 +00:00
2259f44cb1
added parameter for debugging of FFTW in spectral method
2012-01-13 15:21:24 +00:00
07186e0751
added output of precision to init
2012-01-13 15:20:29 +00:00
f3bb2271c9
parsing of spectral geom file now accepts two-dimensional microstructure definition (plus range indications by 'x to y')
...
For instance:
1 2 3 4
5 6 7 8
9 10 11 12
...
2012-01-12 17:01:24 +00:00
11c71aae86
bugfix release
2012-01-12 16:31:23 +00:00
83ff05c8e8
fixed bugs (sorry...)
2012-01-12 15:08:44 +00:00
2ea3c68d3f
removed spectralPicturemode
2012-01-12 10:36:17 +00:00
7103a44d45
renamed debug variables, plus additional "beautification".
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renamed "logscale" header info to "log scales" in accordance with plural versions of similar variables.
2012-01-12 10:23:05 +00:00
a7d9d711f6
edited lines exceeding 132 chars (before any comment started)
2012-01-11 16:56:35 +00:00
c54600fd1f
added kdtree2 source and changed makefile to compile it.
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started to implement the nearest neighbor search for regridding
corrected calculation of divergence in real space.
corrected handling of maximum stress deviation (removed mask)
2012-01-04 17:43:26 +00:00
ee401520d7
corrected divergence calculation. Still some open questions, but improved understanding a lot
2011-12-23 12:30:35 +00:00
6dee2616f5
added help info how to use the executable
2011-12-23 12:29:04 +00:00
99fa0e0be8
corrected calculation of curl (last version was more a dummy function)
2011-12-23 12:23:13 +00:00
e62d083f7a
removed (virtually) dead single-precision branch of the spectral solver.
2011-12-22 13:19:27 +00:00
35bd460e39
added "core" package capability to processing
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(renamed former f2py modules)
reverted pathinfo...
2011-12-22 10:36:59 +00:00
f463c2da70
added addCurl.py, not sure if it works correctly. still in old (eq. to addDivergence.py) style
2011-12-21 17:25:31 +00:00
b0ba5f7ba3
code setup now takes BLAS in order of precedence from IKML, ACML, and LAPACK.
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Leave pathinfo blank for BLAS-options that are not available (like IKML typically)
2011-12-20 10:58:51 +00:00
c4a4c5cdca
corrected error in apply_DAMASK_modifications
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added support for Marc/Mentat2011 (classic)
2011-12-19 16:06:03 +00:00
739c524848
makefile substitution now based on regexp match.
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condensed makefile syntax.
can now use a system-defined LAPACK instead of ACML (required for OS X...).
fixed bug that 'ULTRA' was not using -O3 for most of the compiling...
2011-12-16 09:11:03 +00:00
a8dece8694
adopted use of general damask package ("import damask" instead of "damask_tools")
2011-12-15 08:52:41 +00:00
b2547e0117
Math inversion used to return zero (math_inv3x3) or error (math_invert3x3) for negative determinant. Now checking whether the absolute(!) value of the determinant is close to zero to avoid singularities, negative determinants are very well allowed.
2011-12-14 08:55:24 +00:00
031a00237f
improved makefile, no directly linking to files of acml
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corrected default pathinfo
improved test for intel compiler
2011-12-09 16:34:53 +00:00
7d1d2b6229
corrected small mistake in setup_code and makefile
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test no. 1500, spectral compile test with intel compiler is now working. adjusted run_test and tamask_test
2011-12-09 15:13:27 +00:00
2ceb78c337
introduced new damask_tools method "relPath" and adopted it in setup_processing.py and setup_code.py
2011-12-06 18:38:03 +00:00
ea0fe7b406
corrected 3D visualize (math.f90 part was not working)
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small polishing of voronoi_tessellation.f90
2011-12-06 17:46:33 +00:00
5ebeb96e85
made DAMASK to work with gfortran:
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-removed to long lines
-restructured f2py modules and merged make_DAMASK2Python into setup processing
-setup_code.py now sets library path in makefile and asks for compile switches for spectral code
-substituted \ in format strings with $
restructured DAMASK_spectral:
-more logical output and structure of code
-better input for spectral debug parameters
2011-12-06 16:58:17 +00:00
efadf9f728
mainly fixed error in output of spectral results (1:N,…) instead of (N,…)
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rearranged some logic here and there.
(hopefully) improved readability of debug/standard output.
restarting logic would need some discussion with Martin/Krishna still…
2011-12-04 10:01:32 +00:00
ace6851389
moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly.
...
polished math.f90 (mainly added _pInt/_pReal and intent(in/out))
curl_fft is still a dummy function
2011-12-01 12:01:13 +00:00
e738bee1e3
moved todolist to private tree
2011-11-28 08:18:07 +00:00
515986c4d6
renamed w0 and w0_slip to a and a_slip
2011-11-23 14:48:39 +00:00
f685bbba0e
exchanged location of "graincount" in user block.
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now matches wiki entry:
1. homogenization block
2. grain block
(grain count
sub-block[s] of crystallite and constitutive)
2011-11-23 09:09:00 +00:00
5a1e73b53d
added set_timelimit functionality to fortran-wrapper of FFTW and introcudec it to DAMASK_spectral.f90
2011-11-21 18:48:38 +00:00
566f16b6e9
implemented calculation of divergence in real space, polished spectral debugging
2011-11-21 18:12:40 +00:00
dc6c29a910
important bugfix for reading in results in case of restart
2011-11-17 22:11:05 +00:00
5ef73e164a
restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding
...
introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config
added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor)
added precision directive to all values I found
2011-11-15 17:54:18 +00:00
60c9293baf
restarting seems to work, spectral solver writes own defgrad to disk.
...
step counting rectified
added additional output of deformation gradient volume min and max
2011-11-11 14:17:43 +00:00
860594d9a4
forgot to multiply shearrate with timestep in order to get accumulated shear
2011-11-09 10:26:00 +00:00
6dc8a4d530
check for LFC only if there is any slip activity at all; also increased safety factor from 1.2 to 1.5
2011-11-09 09:55:39 +00:00
7033e84fc7
new outputs "accumulatedshear", "velocity_edge", and "velocity_screw" (the latter two replace the output "dislocationvelocity")
2011-11-09 09:22:52 +00:00
de96e99bca
corrected determination of restartRead from commandline (now done by FEsolving instead of DAMASK_spectral_interface)
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recompiled fftw libraries with --enable-shared to make them work with f2py
added draft for compilation test of spectral solver
2011-11-07 18:25:10 +00:00
8bc39fcd48
immobile density output keeps its sign
2011-11-07 15:46:40 +00:00
34adec74e8
corrected wrong indices into state array for velocity
2011-11-07 15:17:58 +00:00
49c0b8a3fd
restructured restarting capabilities
2011-11-07 11:04:57 +00:00
7dfb96a3da
constitutive_nonlocal:
...
dislocation velocities are stored in the state, so we actually now have three "parts" of the state, the basic states that are updated by "constitutive_dotState" come first, then the dependent states that are calculated by "constitutive_microstructure" follow, and finally we have a last part reserved for other variables that just use the memory reserved by the state array and are updated somewhere else.
constitutive:
LpAndItsTangent does not need the full state, but only the local state, so changed that at least for the nonlocal constitutive law
2011-11-04 13:12:17 +00:00
9d1bc584d0
corrected stress integration scheme: now use norm(Lpresiduum) as a target function for Armijo's rule instead of whole tensor Lp; also corrected the guess for the improvement in Lp
2011-11-04 12:57:12 +00:00
ca3d21a3b6
Depending on which state integrator one uses for the stiffness calculation, the initial state has to be chosen accordingly: e.g. for FPI choose last converged state, but for explicit RK choose converged state from start of increment (in case of explicit euler no state integration at all, but only stress integration). For this purpose we also need to remember "Fe" which now follows the cutbacking procedure as it is used for "Fp".
2011-11-04 12:44:50 +00:00
ee7022d8cf
correctet random seed generation to work with gfortran.
2011-11-04 10:29:35 +00:00
c2eac36b48
started to implement restart facilities for spectral solver.
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restart write is on per default
restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart
setting INT to a value <1 will turn restart write off
2011-11-03 19:32:11 +00:00
b9647b2584
moved parts into new "lib" folder
2011-11-03 13:21:11 +00:00
680ba9082f
removed deadlock when calling IO_warning(33)
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polished IO_error and IO_warning
checked OpenMP critical statements in DAMASK_spectral.f90
corrected writing of headed in DAMASK_spectral.f90
2011-11-02 14:38:42 +00:00
447e69019c
Introduced environment variable DAMASK_ROOT.
...
It is set in the DAMASK root folder by running damask_env.sh
Much needed in the testing routines so far (try ./testing/run_tests.py)
damask_env.sh could also trigger other scripts to get to a working setup after fresh checkout. For example it could run
./processing/setup/setup_processing.py
./code/setup/setup_code.py
if it finds that we have a fresh checkout.
2011-10-27 17:55:42 +00:00
15c356c3a7
some small improvements regarding the rotation of the loadcase frame
2011-10-25 13:38:24 +00:00
c13aa2a829
first try of implementing a rotation of the loadcase coordinate system. Seems to work so far for one loadcase and homogeneous materials.
2011-10-24 18:26:34 +00:00
0f34d14bee
again edited the makefile, no there is more flexibility in defining the libraries (FFTW and ACML)
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added the source of fftw-3.3.tar.gz to fulfill the GPL
set_python_env.py was forgotten during last commit (for testing)
2011-10-24 16:57:51 +00:00
8ac1891b3c
moved DAMASK_NaN to prec.f90 respectively prec_single.f90 as it is precision dependent
2011-10-20 16:46:11 +00:00
ac342ad682
worked on the updating on increments, does not work properly until now
2011-10-19 09:05:02 +00:00
0a46741a77
changing header to correct number of increments
2011-10-18 16:42:06 +00:00
9d3f74ce5f
polishing
2011-10-18 14:46:07 +00:00
7746390688
using keywords to indicate geometry and loadcase
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enabled finetuning of FFTW
added some debugging options
reading in rotation of boundary conditions
using header in geometry file
corrected error in calculating tolerance for stress BC
polishing of output, variable declaration, and variable names
2011-10-18 14:45:32 +00:00
9a6977b024
changed commandline parameters into a keyword driven form
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use "-l, --load, --loadcase" to specify loadcase file and
"-g, --geom, --geometry" to specify geometry file
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:25:17 +00:00
ea2ba1573c
polishing
...
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:22:33 +00:00
7604a8aeb4
corrected calculation of NaN, renamed variable to 'DAMASK_NaN'
...
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:21:38 +00:00
6cf464b8a9
added 'spectralPictureMode' for reading in geometries with 1to1 mapping (e.g. EBSD pattern)
...
polishing
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:20:29 +00:00
6ed27a2a13
added 'spectralPictureMode' for reading in geometries with 1to1 mapping (e.g. EBSD pattern)
...
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:18:05 +00:00
a8a53ee525
added two parameters to control behavior of FFTW, timelimit is not working at the moment
...
remove fftw3.f as it is not needed anymore
!incremental update, wait for commit of damask_spectral.f90 before checking out
2011-10-18 09:16:18 +00:00
4989535500
new version 3.3 of FFTW. Compiled with gfortran but only for multicore support (single core library is still the old version 3.2.2). Now either POSIX threads or OMP can be used by choosing the corresponding library file
...
Some further polishing (besides of new description for FFTW) of the makefile
2011-10-13 12:41:01 +00:00
8edb59d50c
removed some unused variables
2011-09-26 09:55:38 +00:00
58917b5abe
corrected error messages
...
you can now switch of shear banding by seting sb_velocity to zero
stacking fault energy parameters are now read from material.config
2011-09-26 09:55:08 +00:00
2e263dee90
merged in the shear band code, it compiles but is not otherwise tested yet
2011-09-16 15:55:18 +00:00
9d091bdc3f
added parameters for shear band model
2011-09-14 13:35:28 +00:00
ee83904548
added math_spectralDecompositionSym3x3 used by shear band model
2011-09-14 13:26:00 +00:00
483b483816
dummy update because those messages got lost:
...
Date: Tue, 13 Sep 2011 17:46:44 +0200
From: m.diehl@mpie.de
To: wangleyu@msu.edu , lebenso@lanl.gov , denny.tjahjanto@imdea.org ,
o.guevenc@mpie.de , n.jia@mpie.de , m.diehl@mpie.de , c.kords@mpie.de ,
c.zambaldi@mpie.de , p.eisenlohr@mpie.de , f.roters@mpie.de
Subject: update: /home/svn/repos/DAMASK to 1000
Message-ID: <4e6f7ae4.Xjnd/szYAh8QCXTo%m.diehl@mpie.de>
User-Agent: Heirloom mailx 12.2 01/07/07
MIME-Version: 1.0
Content-Type: text/plain; charset=us-ascii
Content-Transfer-Encoding: 7bit
A processing/pre/FromEBSD/
A processing/pre/FromEBSD/Hex2Cub.cpp
A processing/pre/FromEBSD/SpectralMethodFromEBDS
A processing/pre/FromEBSD/patchFromReconstructedBoundaries
D processing/pre/patchFromReconstructedBoundaries
added two small (quick and dirty) tools to convert data from EBSD to input files for spectral method, put them together with patchFromReconstructedBoundaries into new folder.
Date: Tue, 13 Sep 2011 17:54:06 +0200
From: m.diehl@mpie.de
To: wangleyu@msu.edu , lebenso@lanl.gov , denny.tjahjanto@imdea.org ,
o.guevenc@mpie.de , n.jia@mpie.de , m.diehl@mpie.de , c.kords@mpie.de ,
c.zambaldi@mpie.de , p.eisenlohr@mpie.de , f.roters@mpie.de
Subject: update: /home/svn/repos/DAMASK to 1001
Message-ID: <4e6f7c9e.v9E4JVN2a6bg5tL8%m.diehl@mpie.de>
User-Agent: Heirloom mailx 12.2 01/07/07
MIME-Version: 1.0
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U code/DAMASK_spectral.f90
U code/DAMASK_spectral_interface.f90
U code/IO.f90
U code/crystallite.f90
U code/homogenization_RGC.f90
U code/lattice.f90
U code/makefile
U code/material.f90
U code/mesh.f90
did a lot of polishing:
- removed unnecessary "return" before end of subroutine or function:
- changed undetermined array length (:) to (1:3)
To prevent problems with some code analysing tools:
- "3D oneliner loops" (with ";) only for "do" and "enddo" at the same time
- removed line continuation in OMP statements
made the makefile more flexible, removed heap-arrays switch
Date: Tue, 13 Sep 2011 17:57:07 +0200
From: m.diehl@mpie.de
To: wangleyu@msu.edu , lebenso@lanl.gov , denny.tjahjanto@imdea.org ,
o.guevenc@mpie.de , n.jia@mpie.de , m.diehl@mpie.de , c.kords@mpie.de ,
c.zambaldi@mpie.de , p.eisenlohr@mpie.de , f.roters@mpie.de
Subject: update: /home/svn/repos/DAMASK to 1002
Message-ID: <4e6f7d53.IEDDzo+JSzDWNSBr%m.diehl@mpie.de>
User-Agent: Heirloom mailx 12.2 01/07/07
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A documentation/Compiling/
A documentation/Compiling/Stack+usage.pdf
A documentation/ParallelizationAndTuning/
A documentation/ParallelizationAndTuning/BSC_tools_Overview.pdf
A documentation/ParallelizationAndTuning/Intro_Perf.pdf
A documentation/ParallelizationAndTuning/Kcachegrind.pdf
A documentation/ParallelizationAndTuning/LRZ210703_1.pdf
A documentation/ParallelizationAndTuning/LRZ210703_2.pdf
A documentation/ParallelizationAndTuning/MUST_Overview.pdf
A documentation/ParallelizationAndTuning/NPB-MZ-MPI-BT_Exercise.pdf
A documentation/ParallelizationAndTuning/PAPI.pdf
A documentation/ParallelizationAndTuning/PSC_Exercise_BT-MPI.pdf
A documentation/ParallelizationAndTuning/Paraver_Exercise.pdf
A documentation/ParallelizationAndTuning/Periscope_Overview.pdf
A documentation/ParallelizationAndTuning/SIONlib.pdf
A documentation/ParallelizationAndTuning/Scalasca_Examples.pdf
A documentation/ParallelizationAndTuning/Scalasca_Exercise_BTMZ.pdf
A documentation/ParallelizationAndTuning/Scalasca_Overview.pdf
A documentation/ParallelizationAndTuning/Scalasca_Patterns.pdf
A documentation/ParallelizationAndTuning/TAU.pdf
A documentation/ParallelizationAndTuning/VIHPS-TW8.pdf
A documentation/ParallelizationAndTuning/Vampir_Exercise.pdf
A documentation/ParallelizationAndTuning/Vampir_Overview.pdf
A documentation/ParallelizationAndTuning/instructions_periscope.pdf
A documentation/ParallelizationAndTuning/manualf06.pdf
added some information from Tuning workshop in Aachen regarding tuning/parallelization
added slides with information how to prevent segmentation fauld
2011-09-14 08:16:42 +00:00
c7c541f393
corrected typos and such
2011-09-13 15:57:58 +00:00
c35ea33f8e
did a lot of polishing:
...
- removed unnecessary "return" before end of subroutine or function:
- changed undetermined array length (:) to (1:3)
To prevent problems with some code analysing tools:
- "3D oneliner loops" (with ";) only for "do" and "enddo" at the same time
- removed line continuation in OMP statements
made the makefile more flexible, removed heap-arrays switch
2011-09-13 15:54:06 +00:00
cbbc3e84fe
solved argument mismatch
2011-09-13 14:15:17 +00:00
1dd2591982
corrected wrong check of twin systems
2011-09-13 08:18:43 +00:00
7be2701989
* new output variable "internalstress", which gives the internal stress tensor
...
* use "math_invert3x3" instead of "math_inv3x3" for inversion of Fe
* for dislocation stress calculation: first regular case, then special case of dead dislocations in central ip
* "dv_dtau" now given for each dislocation type, so is a (ns,4) array
* deleted unused variables in "_LpAndItsTangent"
* corrected contribution of deads in "_LpAndItsTangent"
* the NaN variables defined in math did not give a proper NaN value, so use 0.0/0.0 again
* neighbors with nonlocal constitution but local properties (i.e. /nonlocal/ flag not set) are also considered for incoming fluxes
2011-09-07 11:30:28 +00:00
e8628996ff
added IO error in case mixed BC that allow rotation are given
2011-09-02 13:50:05 +00:00
fe9754a41c
previous commit was wrong file
2011-09-02 10:46:37 +00:00
43e2684cfb
added new glide system for hex lattice
2011-09-02 10:43:49 +00:00
0469d37fc3
cleaned and restructured output on screen, changed L_inf norm to L_2 for calculation of error in Fourier space.
...
removed unnecessary function from math.f90
added some documents/manuals regarding spectral method
2011-08-31 14:37:01 +00:00
f527bdcc78
changed standard values according to numerics.f90
2011-08-30 11:21:39 +00:00
8f90f1f1f9
corrected description of algorithm to invert matrix
2011-08-30 07:29:13 +00:00
4fb1cb8f87
merged calcmodes, i.e. equilibrium and fulfilling of stress BC is done in one step,
...
made convergence independent of size and resolution,
polishing output in DAMASK_spectral.f90
added function to compute eigenvalues without eigenvectors and function to convert a 3x3 logical to a 9 vector in math.f90
removed obsolete variable in numerics.f90
2011-08-26 14:06:37 +00:00
380a536b45
homogenization_*, constitutive_*, DAMASK_spectral_interface: did some polishing regarding init output
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makefile: corrected spelling mistake
2011-08-26 13:57:29 +00:00
b300cc7faa
ip volume is now based on the determinant of F. "mesh_ipVolume" represents the initial volume and is multiplied with det(F) wherever the current volume is needed. Since this works for all solver types, the "volume" output in crystallite is now also correct for spectral method and abaqus.
2011-08-19 11:18:56 +00:00
f99bf63397
removed functions added for debugging of divergence calculation to math.f90
...
corrected calculation of stress BC condition. Depending on given BC, the stiffness matrix is reduced and than inversed. Then it is filled with zeros and used for the calculation of the correct change of deformation gradient. All calculation is done using dP/dF
2011-08-10 17:45:37 +00:00
1ffb59a96a
Calculation of current ip volumes now working. Crystallite output also reflects current grain volume, not reference volume. However, this is only available for Marc. Abaqus and spectral method still return the reference ip volume. The ip coordinates though are correctly updated for all solver types.
2011-08-10 16:37:17 +00:00
34de2e301b
DEBUGGING VERSION for calculation of Divergence (various methods implemented). DO NOT USE. Wait for next update coming in a few minutes
2011-08-10 16:02:13 +00:00
bb1ca2330b
added option to enable use of AMD math core library, added comments on the various parameters
2011-08-10 16:00:02 +00:00
31b60b8814
changed debug intensity so that the artificially high stress and stiffness values in collection cycles do not get printed out anymore...
2011-08-03 17:59:31 +00:00
4f1cb3a8af
exchanged forall with nested do loops... Bye, bye smatrix warning, will miss you!!
2011-08-03 17:58:16 +00:00
907965272b
added option to build DAMASK_spectral without openMP (make OPENMP=OFF)
...
fixed bug in bc_temperature assignment that was hitting memory.
Temperature is taken from the first loadcase and evolves from there in an adiabatic fashion for the moment. I.e. T-specifications from later loadcases are ignored...
2011-08-03 17:57:28 +00:00
b5abd6f203
adding new option OPTIMIZATION with values OFF, DEFENSIVE and AGGRESSIVE to makefile. Polishing of makefile and DAMASK_spectral.f90
2011-08-03 07:54:32 +00:00
64435b8a97
loadcase takes 'temperature' (or 'temp') as input. Previously it was hard-wired.
2011-08-02 13:58:28 +00:00
422d6d9c6c
slight correction of debugging output
2011-08-02 12:36:08 +00:00
ef7405fe21
Stress integration now uses Armijo rule to find an appropriate correction of Lp: decreases step in case that residuum does not improve significantly, accelerates as usual in case of good convergence. This turned out to improve convergence behavior.
2011-08-02 11:29:08 +00:00
6f859e99de
* internal stress calculation now considers dead dislocations always at the interface, not at the center of the IP volume; used to merge them together with "normal" dislocations for stress calculation.
...
* dislocation flux is blocked if we encounter a sign change in the resolved shear stress from the central ip to the neighbor
* do not set density to zero if below certain threshold; this creates an artificial sink term
2011-08-02 11:17:45 +00:00
0373fa64e4
have to initialize constitutive_state during constitutive_init, since the first call to constitutive_microstructure (where we already need the state) is done before the cutback scheme starts.
2011-08-02 11:10:41 +00:00
75c67f53f7
introduced alternative location for material configuration.
...
If present, the >>>JOB.materialConfig<<< file takes precedence over the standard >>>material.config<<<
2011-08-02 10:14:16 +00:00
564eb5009f
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 18:10:55 +00:00
3adb7ab382
corrected makefile, now working again without giving standard values explicitly.
...
did some small modification in order to make it possible to compile with gfortran. Changed NaN=0.0/0.0 to bitwise representation (3 different ways)
2011-08-01 10:11:32 +00:00
06a4ac2565
fixed bug (segmentation fault) occurring for non-renumbered meshes: ipNeighborhood building did use FE IDs of twin nodes to address memory -- dangerous..!
2011-07-31 15:42:59 +00:00
fb121b1435
* boundary condition masking changed
...
* damper initialized with one
* inversion of Mandelized stiffness tensor does not work, have to use plain tensor
* new functions in math that allow for conversion between Mandel and Plain tensors
2011-07-29 15:57:39 +00:00
aa714a3d84
some textconstants were wider than specified in the format string, this might have caused Abaqus to crash due to an illegal memory reference (signal 11)
2011-07-29 14:54:26 +00:00
72d20875de
added some switches and variables to the makefile to make it more flexible
...
DAMASK_spectral.f90 is a "debug version" with a number of different criteria to determine divergence. will be removed later on.
2011-07-25 16:30:21 +00:00
2e9c605571
somehow forgot to move the numerics.config into the config subdir...
2011-07-21 08:40:45 +00:00
e92e5cae53
restarting now works with Abaqus (standard, cannot test explicit due to lack of license)
...
you have to specify the job you are restarting from in the job description (cae), if you prepare your input file by hand this is the first line after *Heading
example: if the first job was using Oldjob.inp the first entry in the job description needs to be Oldjob (without the .inp)
as for Marc restart works only from last converged increment, i.e. ther restart writing should be specified like this:
*retsart, write, frequency=1, overlay
Overlay is not essential but saves a lot of disk space and as stated before you can only restart from the last converged increment anyway
2011-07-18 09:15:20 +00:00
8c65cb9ea6
small output polishing
2011-07-15 12:25:38 +00:00
09ba92c26e
added and rearranged error messages, polished output and simplified calculation of f depending on fdot or L
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guessing along former trajectory is now on per default, 'guessreset' and 'dropguessing' switch it off.
2011-07-14 09:37:31 +00:00
56340fd487
changed input of loadcase. Now fdot (time derivative) can be used instead of velocity gradient. Velocity gradient needs to have each line fully or not at all defined, as for other loadcases the stress BCs are not known in advance. Also added the possibility to keep guessing along trajectory of former loadcase.
...
changed back to use the compliance of initial linear material behavior.
added counter of non-converged steps
renamed compiler flags in makefile
2011-07-13 16:33:12 +00:00
8153cd50b4
added spectral numeric parameters to numerics.config, changed values for spectral numeric parameters in numerics.f90 to more suitable values for new method for determination of divergence in Fourier space
2011-07-11 14:28:56 +00:00
a08eaecf4e
polishing (names of variables, spaces, comments etc.)
...
renamed mpie to DAMASK in IO.f90 error message
2011-07-07 15:27:35 +00:00
a561ef1cf5
corrected calculation of divergence in Fourier space, removed normalization of normdyad (was useless), now using correct compliance for calculation of stress BC.
2011-07-07 10:03:55 +00:00
18a5841bc5
keyword freq for frequency of output writing was not evaluated when reading loadcase file
2011-07-07 09:18:05 +00:00
e889b69bec
Ability to define loglinear time increments by using 'logincs' or 'logsteps' instead of 'incs' in loadcase file is added.
2011-07-06 13:10:18 +00:00
314adae1bb
spectral solver can now write result at reduced output frequencies: use 'f', 'freq', or 'frequency' keyword in loadcase definition.
...
example: ... time 1 incs 100 freq 10 will write output at times 0.0, 0.1, 0.2, ... , i.e., every ten increments only.
2011-06-15 17:48:14 +00:00
3985a98da7
changed default to "no clean". if clean-up required, use '--clean' option!
2011-06-15 16:40:34 +00:00
480021e788
added '--noclean' option
2011-06-14 14:56:10 +00:00
1877026d86
sorry, dangling "endif"...
2011-06-14 14:35:55 +00:00
cc925cadee
changed output/debug-level relation for two statements
2011-06-14 14:08:13 +00:00
a26d9c844b
max size of crystallite result is now based on actual use within the mesh, not just picking the largest chunk from the material.config file...
2011-06-08 09:16:48 +00:00
8041587a72
changed internal debug verbosity in accord with debug.config listing.
2011-06-06 15:27:35 +00:00
4a694fa7fd
changed wildcard letter from '#' to '*' now consistent with new IO comment parsing.
...
fixed memory bug with bc_maskvector.
some brushing up here and there...
2011-06-06 15:20:28 +00:00
ae4c8fa2d8
renaming of "mpieNumThreadsInt" to "DAMAKS_NumThreadsInt" was forgotten here
2011-06-06 08:51:07 +00:00
9a64f3dd85
* comments are now recognized by IO even when they do not appear at the beginning of the line
...
* no need for the zero entries in the material.config anymore
2011-05-30 09:09:19 +00:00
bbf75f3fb5
cannot omit entries for second to fourth slip system family, though they are zero
2011-05-30 07:53:41 +00:00
08d39342e4
reworked restarting for compatibility with abaqus (not yet fully working)
...
added new orientation feature for direct simulation:
component type (random) asigns random orientation to an entire grain
2011-05-28 09:44:43 +00:00
2418dfe96d
changed MPIE_NUM_THREADS to DAMASK_NUM_THREADS
2011-05-28 09:42:25 +00:00
e39445ee7a
dead dislocations now exert a backstress on their "home" MP
2011-05-26 09:35:42 +00:00
78f74e8991
forgot to use "mesh_ipCenterOfGravity"
2011-05-26 09:23:13 +00:00
cac45cff96
ip coordinates are now updated every cycle; this is needed for the nonlocal internal stress fields
...
* Marc: node displacements are added to initial node coordinates (mesh_node0) to get current node positions (mesh_node), then ip coordinates are deduced
* Abaqus: ip coordinates are directly updated, no update of node coordinates!
* Spectral: for the moment no update of either ip or node coordinates! passing only dummy values with initial ip coordinates
2011-05-24 15:57:59 +00:00
a910c469df
update of nonlocal material parameters
2011-05-20 08:11:22 +00:00
808a6d6ad6
+ error box + now tells error number (useful for Abaqus)
2011-05-13 16:55:13 +00:00
1baae024cb
added two more <crystallite> examples
2011-05-13 16:54:08 +00:00
d366a53f4e
probably installation is a better place for the abq.env file
2011-05-11 17:10:45 +00:00
fa98133f8e
renamed interface from "mpie_interface" to "DAMASK_interface"
2011-05-11 17:01:03 +00:00
75192789e8
added making of DAMASK_spectral.exe
2011-05-11 16:45:37 +00:00
43cc68555b
observe new include subdirectory
2011-05-11 16:40:51 +00:00
e5a2d829b0
new substructure with 'include' and 'config' directories
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renaming of mpie_... to DAMASK for main usersubroutines
extension of element outputs from 5 to 8 digits (FFT!!!)
2011-05-11 16:38:45 +00:00
a0bec65c7b
Last version didn't compile, because of missing keyword "call" in front of subroutine call to IO_error
2011-05-09 08:49:03 +00:00
660c9212f8
introduced error 667 for out of bounds user result requesting
2011-05-04 16:02:18 +00:00
affd383ef8
simplified disorientation calculation. performed FEM check that "grainrotation" reflects the *active* rotation from the starting orientation to the current one with respect to the lab coord system (as expected).
2011-04-14 19:09:44 +00:00
5814262f55
moved some write statements within stateIntegrationEuler
2011-04-14 09:35:56 +00:00
349f022100
reinstantiated calculation of grainrotation (still needs check for correctness, i.e. active or passive rotation output)
2011-04-13 16:08:52 +00:00
7d84a0911e
removed unused variables
2011-04-13 14:16:22 +00:00
b4678112cd
sorry, last version did not compile. now with correct encoding.
2011-04-13 11:51:46 +00:00
dd2057bac5
changed header to unicode utf-8 encoding
2011-04-13 11:24:36 +00:00
ef4fc9d0ee
added <crystallite> output "texture" to list of examples
2011-04-12 15:33:29 +00:00
c1b8391110
changed enconding of all source files to UTF-8 without BOM (signature) Codepage 65001
2011-04-07 07:20:28 +00:00
4d0fefd231
security factor of 1.2 for CFL condition in constitutive_nonlocal_dotState
2011-04-06 11:47:24 +00:00
51763ed93e
corrected number of incs reported in spectralOut-file
...
inc 0 contains undeformed results
plus lots of typographic polishing
2011-04-06 09:58:17 +00:00
7c7c929455
added comments on origin of files
2011-04-06 09:40:39 +00:00
4ea1fe436b
added check for CFL condition in constitutive_nonlocal_dotState
2011-04-06 09:07:36 +00:00
e00d073ee3
added new 2D triangle elements
...
added some sourcecode commenting on internal database formats
corrected database to allow for ipVol and Area calc in 2D element cases
2011-04-06 08:35:37 +00:00
fcdb805225
added copyright text to all f90 (free) format files
2011-04-04 14:09:54 +00:00
6ca8942f62
choose correct output format for debug_verbosity: integer instead of logical
2011-04-04 08:38:55 +00:00
790dbed1e4
* removed last remnants of old debugger
...
* replaced "dble" intrinsic function by "real" with pReal kind in constitutive_nonlocal.f90
* removed useless line breaks in output of state in CPFEM.f90
2011-04-04 08:34:52 +00:00
06fc83ac14
Final version of titanmod
2011-03-31 09:21:43 +00:00
fc471d73f3
added Arun to list of authors
2011-03-30 14:39:28 +00:00
c36968fc68
distance for periodic images in internal stress calculation was incorrect
2011-03-30 11:57:41 +00:00
08da2b5e4d
added minimum abaqus_v6.env file containing all changes necessary for the use of the MPIE subroutine
...
changed comments in interface routines to refelect this
2011-03-29 13:49:50 +00:00
e9e6abbdaf
introduced variables for compiler options
...
added -fpp switch to invoke precompiler
2011-03-29 07:55:38 +00:00
314ca3fe7f
Internal stress calculation in nonlocal model: instead of integration of excess gradients (->Bayley) we now sum up contributions from adjacent superdislocations within a certain radius R. When periodicity is used, also periodic images are considered in stress evaluation.
2011-03-29 07:34:33 +00:00
3d51dd36fa
* Introduced preprocessor directives in order to suppress compilation of most write statements when using openmp. This tremendously improves efficiency of parallelization.
...
* Also added some more openmp directives to increase percentage of parallelized code.
* "implicit none" was missing in two subroutines of homogenization and constitutive.
2011-03-29 07:27:19 +00:00
5c05c5d068
corrected mixed up array size for hardeningMatrices (twin/slip)
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added explicit array range 1:lattice_maxNslip/twinFamily
2011-03-24 17:20:35 +00:00
fa323f3f0b
removed division by zero from debug_reset(), uses huge() now
2011-03-24 07:38:56 +00:00
78d4e7d1dc
mpie_cpfem_abaqus_std.f: first call is with kinc==1
...
mesh: allow multiple element sets with identical material
2011-03-23 16:20:12 +00:00
8467c91dab
moved setup scripts back to subdirs where they are needed
2011-03-22 15:42:53 +00:00
31a570768b
new error 237: singularity in internal stress calculation
2011-03-22 13:58:42 +00:00
7be2edb10e
added "texture
...
" as possible crystallite output => reports ID for later discrimination...
2011-03-22 13:40:27 +00:00
b8b75edd7d
no changes to previous version, just wanted to add some comment to the previous commit:
...
subroutine "constitutive_nonlocal_dotState" only affects the current dotState, so no need to pass the whole array as argument
2011-03-21 15:23:36 +00:00
9b1e1e35ea
dotState
2011-03-21 15:18:09 +00:00
462eda6736
split parallel region in integrateStateFPI into two
2011-03-21 14:30:10 +00:00
5ee73dee72
age dotState before resetting it to zero, otherwise the statedamping does not work.
2011-03-21 13:06:11 +00:00
fc6f2ae68f
No need to call constitutive_microstructure at the beginning of each crystallite step, since it's already been done at the end of the previous step. Just do it once after initialization to start with correct values for the dependent state variables.
2011-03-21 10:35:42 +00:00
11138e3ee2
debugging output is now controlled by the "verbosity" parameter in the debug.config ranging from 0 (=almost no output) to 8 (=very detailed output)
...
0 : only version infos and all from "hypela2"/"umat"
1 : basic outputs from "CPFEM.f90", basic output from initialization routines, debug_info
2 : extensive outputs from "CPFEM.f90", extensive output from initialization routines
3 : basic outputs from "homogenization.f90"
4 : extensive outputs from "homogenization.f90"
5 : basic outputs from "crystallite.f90"
6 : extensive outputs from "crystallite.f90"
7 : basic outputs from the constitutive files
8 : extensive outputs from the constitutive files
If verbosity is equal to zero, all counters in debug are not set during calculation (e.g. debug_StressLoopDistribution or debug_cumDotStateTicks). This might speed up parallel calculation, because all these need critical statements which extremely slow down parallel computation.
2011-03-21 10:31:17 +00:00
9d7ede7e03
extreme values of stress and jacobian now recorded in CPFEM_general. variable declaration and generation of output moved to debug module.
2011-03-17 13:13:13 +00:00
235266b169
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
...
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
2011-03-17 10:46:17 +00:00
97a0146672
deactivated one debug statement at the end of crystallite_updateState(g,i,e) as it leads to division by zero if constitutive_state(g,i,e)%p(1:mySize) contains zero values
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statement should be changed to check for zero values
2011-03-11 10:05:30 +00:00
1f0569230b
new installation/setup dir to hold all top-level make_*-scripts
2011-03-11 09:20:37 +00:00
bdc17f7d72
extended comment on modification of abaqus_v6.env
2011-03-11 09:05:09 +00:00
6475235fb4
included "-heap-arrays 500000000" in remark on how to change compile command
2011-03-08 08:18:04 +00:00
18e668340f
Abaqus interfaces dapted to newest version of the rest of the code
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does not yet check for restart, have to check out first how restarts work in Abaqus
explicit code not checked as we do not have a license
2011-03-07 12:49:27 +00:00
654b5ea987
set type for acos_arg
2011-03-04 14:57:22 +00:00
2975c99144
now the maybe not perfect quartenions caused trouble in math_QuaternionToEuler
2011-03-03 14:23:39 +00:00
e7c7ccdcdd
improper rotation matrix from pdecomposition could cause negative arguments in squareroot
2011-03-03 10:47:07 +00:00
6667e94238
abaqus routines VGETOUTDIR and GETOUTDIR do not return the trailing slash, which we assume to be there, so it has to be appended
2011-03-03 10:29:59 +00:00
138e9c43eb
some comments (talking to Ricardo)
2011-02-25 16:24:23 +00:00
a6d1e5c911
now deleted old _single files
2011-02-25 12:49:18 +00:00
8cae4d609a
some polishing for single precision version.
...
Now only prec and mpie_spectral are needed in different versions
2011-02-25 12:41:46 +00:00
ad4706673b
* removed calculations for dipole formation/dissociation by stress change, since it is not used anyways; also removed associated constitutive outputs from material.config
...
* removed input variables in constitutive_collectDotState and constitutive_postResults that are not needed anymore (because of recent changes in constitutive_nonlocal)
2011-02-25 09:53:20 +00:00
cd5407b08b
removed all math functions only for double precision by the more flexible counterpart, e.g. "dsqrt --> sqrt", "dsin --> sin". Should not cause any harm, as long as "implicit none" is used.
...
Now it is possible to compile a single precision spectral solver/crystal plasticity by replacing mesh.f90 and prec.f90 with mesh_single.f90 and prec_single.f90.
For the spectral method, just call "make precision=single" instead of "make". Use "make clean" evertime you switch precision
2011-02-25 09:25:53 +00:00
2f503f5cdb
added "Lp" as crystallite output
2011-02-25 08:15:26 +00:00
e022810e66
fixed problem in internal stress calculation for periodic neighborhood
2011-02-25 08:10:11 +00:00
f525c02ded
added single precision libraries for FFTW
...
First try of implement single precision crystal plasticity, not working yet.
polishing text about geometry construction.
polishing postResults, still having problems concerning machines without MSC installation
2011-02-24 18:39:57 +00:00
e49e5e13af
* in flux calculation: take care of special case for single element model
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* do not overwrite "constitutive_nonlocal_rhoDotFlux" when doing a state perturbation, so we can use it for output
2011-02-24 10:01:41 +00:00
8aef9b1c13
check for twin nodes only in direction of the surface normal. this solves a problem with models of single element thickness and periodic fluxes.
2011-02-24 09:26:30 +00:00
fed53a7e60
in subroutine "mesh_marc_get_mpieOptions": need at least one additional string after keywords "$mpie" and "periodic", not two as it used to be
2011-02-23 12:33:51 +00:00
430966eb20
sorry, forgot to commit the numerics.f90, too
2011-02-23 12:30:52 +00:00
96d3682d5e
* new global integer variable "numerics_integrationMode" (1 indicating integration of central solution, 2 indicating integration of perturbed state)
...
* combined "integrator" and "integratorStiffness" in new global variable "numerics_integrator"
2011-02-23 08:29:51 +00:00
d835380bc0
* "constitutive_nonlocal_flux" is set to zero in "constitutive_nonlocal_dotState", not in "constitutive_nonlocal_microstructure"
...
* dislocation flux and internal stress calculation now consistent with new definition of slip system lattice according to paper (polarity of screws inverted)
2011-02-23 08:08:06 +00:00
8dd1a694a3
extended IO to cope with different name for solverJob and Model
...
polishing, added error codes
added FFTW library files
2011-02-21 14:37:38 +00:00
b21c153761
restructured constitutive_nonlocal_compatibility and incorporated the "surfaceTransmissivity" in the compatibility calculation
2011-02-16 16:38:18 +00:00
24d33bf2ff
* added a new material parameter "surfaceTransmissivity" (default value 1.0) which allows to change the transmissivity of the material surface between 0 and 1
...
* now complaining when encountering an unknown nonlocal parameter in material.config
* use same error ID for all material parameters out of bounds
* symmetric flux calculation in side dotState can now be omitted (because of new treatment of periodicity)
* switching back to "local flux balance" (add leaving and entering fluxes at central MP, don't touch neighbor) instead of "flux distribution" (subtract leaving fluxes from central MP and add them at neighboring MP). This has the advantage that there is almost no need for CRITICAL statements in parallelization, so hopefully this results in some speed up.
2011-02-16 16:35:38 +00:00
8f626c8989
Now able to have real periodicity for fluxes (fluxes leaving the model on one side enter on the other side).
...
To enable this feature one has to add the following somewhere in the marc input file:
$mpie periodic x y z
for having periodicity in all directions
$mpie periodic z x
for having periodicity in x and z direction
etc.
Note that this only works for regular meshes!!!
2011-02-16 16:23:08 +00:00
89ed6f5f66
Did not compile. Fixed missing ,
2011-02-15 12:29:01 +00:00
c39e04644b
Sorting of hex slip-systems done in update 659 was missing. Included again.
2011-02-15 12:21:54 +00:00
438bf95105
added ft-based reconstruction of deformed configuration to postprocessingMath.f90 and postprocessingMath.pyf
...
also added function to calculate average of tensor
some polishing in mpie_spectral.f90, added sanity check to see im resolution is power of 2
2011-02-14 17:21:31 +00:00
171f5375f1
shearrate output now with sign (no |abs| as before)
2011-02-11 10:19:41 +00:00
3d7fad6ba9
mpie_spectral.f90: changed fourier transormation, now using the advanced interface to do the tranformation both ways with just one call. now also using the same variable for pk-stress in both domains and the change of deformation gradient in both domains.
...
postprocessing: renamed name of python/f2py modul from "reconstruct" to "postprocessingMath", added some numerical operations to use for postprocessing.
2011-02-09 17:47:28 +00:00
803e1a8c05
In order to help preventing further memory leaks all array sections now have an explicit instead of assumed shape, e.g. Fe(1:3,1:3) instead of Fe(:,:).
2011-02-09 13:12:46 +00:00
466ced911e
* check convergence for nonlocals also in stiffness calculation mode
2011-02-09 08:39:07 +00:00
921967c2ba
* found memory leak in nonlocal model! "constitutive_nonlocal_rhoDotFlux" has to have upper index bound of 10 for second dimension, not 8.
...
* need to recalculate dislocation velocity in postResults, otherwise we take values of last perturbed state! So the following outputs were up to now showing the perturbed state: shearrate, dislocation velocity, all density rates!
2011-02-09 08:28:47 +00:00
17a6c0e59b
enhanced comment on dislocation kinetics
2011-02-08 12:48:50 +00:00
6731659aa4
added hint that extreme values of stress and tangent belong to previous cycle
2011-02-08 12:43:30 +00:00
0a30fb739a
now reporting extreme values of stress and tangent, that were returned to marc, in output file
2011-02-08 10:25:51 +00:00
7a7ca1aab7
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile
...
mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory
3Dvisualize: started to add support for gmsh (not fully working yet)
reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 14:35:42 +00:00
faba13f7fd
* now able to introduce some scatter in the initial single dislocation density (only for nonlocal model!) ; setting the parameter "rhoSglScatter" to a positive value generates a gauss distribution for the dislocation density with standard deviation equal to "rhoSglScatter"
...
* dislocation stress calculation is only done for nonlocal constitution ("/nonlocal/" keyword is present in material.config)
2011-02-04 15:41:32 +00:00
b362755457
grain orientation shuffling was skipped for /elemhomo/. no clue why, now dropped...
2011-02-03 17:25:58 +00:00
fec2c14a4e
removed hard-coded tolerances from mpie_spectral and put them to numerics/IO
...
removed storage of full cauchy stres field from mpie_spectral.f90, only average is stored now
added cauchy stress and von mises equivalent calculation to spectral post.
2011-01-31 17:07:42 +00:00
b72d75ed05
corrected indices in flux density output
2011-01-28 12:49:58 +00:00
c00a42a9a4
fixed last remaining tensor outputs to their transposed versions
2011-01-27 14:29:06 +00:00
aa7d5afd94
changed ifort options back to previous ones as -fast is not working
2011-01-26 13:33:44 +00:00
05d4d5fef2
* kinetics now according to Mohles; enables solid solution hardening
...
* changed example in material.config accordingly
2011-01-26 10:17:42 +00:00
6ac06af517
sorry, forgot to alter the most important part: post_results..! eventually, the t16 has defgrads and friends in correct format: du_i/dx_j is listed as linear array (1,1),(1,2),(1,3),(2,1),...
2011-01-24 16:23:37 +00:00
4ee40df5ba
transposed writing into t16 file (and screen/debug) did not work with just stating array(1:3,:)...
...
fixed by using math_transpose3x3 (and similar) instead.
2011-01-24 15:02:19 +00:00
794aeb253b
crystallite and CPFEM now print/output tensors in ij notation (used to be, particularly in the t16, ji, i.e. transposed...)
...
math reports random seed used for rnd() generation
2011-01-20 19:25:45 +00:00
b546d3bb91
some corrections regarding Multicore-support on mpie_spectral.f90 and makefile
...
slight changes on mpie_spectral.f90 regarding file output
2011-01-12 17:02:42 +00:00
062c6b3d54
* allow zero cutoff radius
...
* added missing error codes
2011-01-12 12:36:48 +00:00
d92f992eb7
if nonlocal ip has local neighbor assume perfect transparency of the (perhaps virtual) phase boundary. this is only a quick fix! need to rethink the way constitutive and real boundaries are treated!
2011-01-11 18:00:29 +00:00
6a3dd78259
fluxes are disabled when keyword "/nonlocal/" is omitted in the material.config (this is a way to use the constitutive_nonlocal model as a local dislocation based model)
2011-01-11 14:55:36 +00:00
ccc6aac10b
did not delete mpie_spectral2.f90 properly
2011-01-07 13:11:32 +00:00
71fb5eedf2
changed makefile: material subroutines are now compiled using openmp, enabled linux threads for fftw3 (also did some slight changes to enable that in the fortran source code)
...
renamed mpie_spectral2.f90 to mpie_spectral2d.f90 (testing file, not properly working at the moment)
changed file extension and variable names in mpie_spectral.f90 and mpie_spectral_interface.f90 from "mesh" to "geom". Removed direct output from mpie_spectral.f90, all output is now base on materialpoint_results(:,1,:)
2011-01-07 12:56:45 +00:00
9447330ab0
ATTENTION repository has been moved to new server!
...
Now at musvn1:/home/svn/repos/cpfem
2011-01-05 16:11:51 +00:00
096a4803b0
some polishing concerning openMP initialization
...
number of threads is now written to *.out file
2010-12-02 11:04:29 +00:00
36f27edd75
1. Adding more comments
...
2. Changing 'subroutine' into 'function' for optimizing the computation time
2010-11-26 11:50:20 +00:00
6b199e7830
allow 2digit values to be read in for MPIE_NUM_THREADS
2010-11-25 10:34:55 +00:00
ea6a6c9503
* environment variable MPIE_NUM_THREADS now determines number of threads used in parallel regions
...
* default value of the OMP_NUM_THREADS variable has to be restored at the end of mpie subroutine, since marc also seems to use and change(!) this
* usage: "export MPIE_NUM_THREADS=<number of threads>" to set variable in shell, then restart mentat and compile with option 3 (at the moment this does only work on ws 6, since all other workstations use compiler option "-save"; this puts all local variables by default in static memory, which is a killer for parallelization!)
2010-11-19 17:45:27 +00:00
b9b226548c
* enclose wall time measurement for LpAndItsTangent and count of leapfrogbreaks by CRITICAL construct
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* better use SINGLE (having an implicit barrier at the end) instead of MASTER construct
* deleted all explicit BARRIERs after do loops since parallel loop construct implies barrier at the end
2010-11-19 17:29:29 +00:00
15728d3305
enclose wall time measurement for dotState and dotTemperature function by CRITICAL construct
2010-11-19 17:19:03 +00:00
4f267f4375
parallelization now works properly (not yet tested extensively though):
...
* had to add some BARRIER constructs
* only the master thread is allowed to increase the state counter
yet parallelization seems not to give a significant decrease in calculation time with nonlocal model (because of too many CRITICAL statements?)
2010-11-11 16:16:05 +00:00
14594dc9e2
* OpenMP does not like unbounded array subscripts in function calls
...
* some write statements were still not enclosed by CRITICAL construct, some needed a MASTER construct
2010-11-11 13:14:53 +00:00
bca951325d
* cpfem will now produce a warning if all components of the stiffness tensor are close to zero
2010-11-04 18:18:01 +00:00
54748bb6a5
cycleCounter reset was 0 now -1 ==> occurence of jacobian calculation is now correct, i.e. always calc at start of new increment
2010-11-04 18:15:50 +00:00
405d5529e7
* checked and corrected parallelization of code. compiles now successfully, but simply aborts computation with first parallel directive without any comment :-(((
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* also put a call to constitutive_microstructure at the start of each crystallite_integration subroutine like it was before. need that for nonlocal model in case of crystallite cutback
2010-11-03 17:22:48 +00:00
0dd99cb965
lattice: (re)introduced _symmetryType function to replace unsafe lookup array
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numerics: polishing
mpie_cpfem_marc: polishing
..powerlaw: aware of symmetryType function
crystallite: aware of symmetryType function, smaller leapfrog acceleration
IO: new warning 101
CPFEM: range of odd stress is now -1e15...+1e15, H_sym is used for stiffness
2010-11-03 14:58:11 +00:00
763c20b302
Introducing the capability to restart jobs that crashed in the middle of sims. At the moment, this feature is exclusive for Marc.
...
Major changes:
CPFEM.f90 =>
1. Moving the initialization out of CPFEM_general into a separate subroutine, which is directly called by the hypela2 (Beware, the Abaqus version must also be modified in order to adapt with this change).
2. Restore primary state variables in CPFEM_init from binary files when requested (Marc flag: restart read).
3. Writing primary state variables into binary files (Marc flag: restart write).
FEsolving.f90 =>
1. Adding functions to recognize Marc restart flags: read and write and the corresponding restart file (parent job).
2. Change the initial value of cycleCounter = -1 in conjuction with the change made the ping-pong scheme
homogenization_RGC.f90 =>
1. Just syntax polishing.
IO.f90 =>
1. Adding functions/subroutines to open binary files for writing the primary state variables for restart purpose.
mpie_cpfem_marc.f90
1. Modification of the general scheme for collection and calculation in order to accommodate the newly added restart feature.
2010-11-03 14:39:18 +00:00
4c20daa00d
state loop count was wrong for adaptive euler integration
2010-10-28 12:22:17 +00:00
17812c1f9e
added raw output, gmsh output is still included
2010-10-27 17:15:49 +00:00
9320d48305
in RKCK45 state integration: dotState was not saved in last Runge-Kutta step
2010-10-27 08:48:04 +00:00
f5f3ef5ecc
* have to reset dotState to zero before call to collectDotState (only important for nonlocal calculation)
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* in Fixed Point Iteration: update dependent states after state preguess was missing; on the other hand, the first call to constitutive_microstructure was obsolete
2010-10-26 14:04:33 +00:00
4439282239
no change to previous version, just forget to mention one important change of the last revision:
...
* fluxes are now again calculated and distributed only! by the originating material point. this means that the central MP might change the dotState of its neighbor. have to see whether locks slow down parallel computation
2010-10-26 13:49:58 +00:00
62d06001ea
* corrected compatibility for screws (always positive)
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* detection of grain boundary in constitutive_nonlocal_microstructure with the help of transmissivity
* enforce positive densities in constitutive_nonlocal_microstructure (needed because dotState does not create cutbacks for negative densities anymore)
* reset single mobile densities below certain threshold to zero (also done in constitutive_nonlocal_microstructure)
* constitutive_nonlocal_kinetics only gets local state variable as input, no need for the entire array here
* dv_dtau is always positive
* multiplication is only active when there is already some initial density of the respective type
2010-10-26 13:42:18 +00:00
366d52bd71
* former "relevantRho" and "relevantResistance" is renamed to "atol_rho" and "atol_resistance" and now used as an absolute tolerance for the state residuum. before it was used rather as significant state, so whenever the state dropped below that value it was considered converged. (In dislotwin and titanmod constitutive law there is only one value atol_rho which is used for all the states, though the state array consists not only of densities. We need further parameters here!)
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* somewhat simplified convergence check for adaptive euler and runge-kutta
2010-10-26 13:16:37 +00:00
26cb618b6d
changed calculation to small strain/cauchy stress
2010-10-20 11:27:10 +00:00
da35eaa8a1
changed spectral algorithm to version proposed by Ricardo 2001 (using tau_field instead of stress_field).
...
Still using largestrain-formulation
2010-10-20 09:27:47 +00:00
3837dad51e
fixed bug in mpie_spectral.f90 concerning spectral method (now deltaF hat get the right value)
...
added mpie_spectral2.f90, a version that should get the new algorithm proposed in 2010. until now, it is the same as mpie_spectral.f90 (large strain formulation by suquet et al) but with c2c, c2c FFT
2010-10-20 08:59:00 +00:00
e49de75fe3
stiffness calculation now only needs a single function call to the respective integrator method instead of one call per grain (which seems to heavily slow down the computation). also no special treatment for non-local material points anymore.
2010-10-15 14:57:13 +00:00
fffe731447
* had to correct nonlocal slip system compatibility and flux calculation. last update gave wrong results.
2010-10-15 13:19:26 +00:00
61f8a5fcbe
corrected UpperCase "SolidSolutionStrength" in config file parsing.
2010-10-15 12:59:00 +00:00
3c502561ee
added matrix multiplication 3333x33 to math.f90
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added some parameters for spectral method to numerics.f90 (tolerance)
changed error message concerning spectral method in IO.f90
corrected calculation of stress BC in mpie_spectral.f90
2010-10-13 16:04:44 +00:00
724960686f
* in nonlocal model: dislocation flux now with valid description also for large angle grain boundaries; transfer of dislocations from one slip system to the other according to new variable "constitutive_nonlocal_compatibility" which depends on the angle between slip plane normals and slip directions and is updated once per cycle in function "crystallite_orientations"
...
* reactivated debugging functionality for "non-standard" integration methods
2010-10-12 13:08:54 +00:00
efd92d9b51
allocation of special state variables for "non-standard integration" was erroneous. used to produce segmentation fault for integration method 4 and 5.
2010-10-12 12:11:24 +00:00
fce7590c17
* now able to choose method for state integration (integrator and integratorStiffness in numerics.config); standard is "Fixed Point Iteration", which is basically the same as before; others available are "Explicit Euler", "AdaptiveEuler", "Classical Runge-Kutta" and "Runge-Kutta Cash-Karp"
...
* now remembering stiffness similar to how we do it for Lp etc.; avoids undefined stiffness values for nonconverged stiffness calculation
* non-local stuff:
* changed non-local kinetics (Gilman2002)
* enforce zero shearrate for overall carrrier density below relevant density
* enforce zero density for those states that become negative and were below relevant density before
* dislocation velocity is not limited by V^(1/3) / dt anymore
2010-10-01 12:18:49 +00:00
9927cd7adb
changed format of resolution. instead of reading exponent of two, now the number given equals directly to the number of FPs. Allows us to use arbitrary number of FPs.
...
example:
OLD: reading 5 results in 2^5=32 FPs
NEW: reading 33 results in 33 FPs
2010-10-01 10:42:15 +00:00
2cc7bc38d7
Fixed a missing ','. Assigned plane and direction names.
2010-10-01 06:32:44 +00:00
1ae252c1ce
altered hexagonal slip systems
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(needs comparison to former set, which is potentially wrong)
2010-09-30 17:31:19 +00:00
b85f9b0770
material.config: changed texture of microstructure 1 from 1 to 3, because 1 needs a ODF file which is not in the repository and makes the one_element_model.proc complain.
2010-09-30 12:55:38 +00:00
a8dfdc6487
added _mul33xx33 double contraction: A_ij * B_ij = scalar
2010-09-30 09:32:49 +00:00
cb4b4afc88
corrected header for math_qRot
2010-09-30 08:46:58 +00:00
b259fbd9c6
1) added distribution of leapfrog breaks
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2) lattice_symmetryType is now a function (former lookup array was buggy)
3) stricter check of state var values (>0!) and memory deallocation done
2010-09-30 07:31:53 +00:00
e562df35a9
Added more state dependent variables in post results.
2010-09-29 06:35:08 +00:00
5a51082977
polishing, changed calculation of stress BC.
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prevent updating of gamma hat in case of perfect plasticity
2010-09-24 13:27:53 +00:00
d94236b2d6
Declaration of filename etc. was missing. Fixed now.
2010-09-23 09:13:46 +00:00
83a921eec2
crystallite: polishing
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rest: added "$ID" and line ending settings...
2010-09-23 08:05:50 +00:00
a467fb4ae3
forgot "$ID" and setting line endings...
2010-09-23 08:03:00 +00:00
89136afade
debug now has config file, too
2010-09-23 08:01:41 +00:00
6ea8623f65
added functions math_mul33x3_complex math_Plain99to3333 to math.f90.
...
mpie_spectral.f90 uses both functions
math_Plain99to3333 is used for inversion of c0
math_mul33x3_complex is used for equilibrium check in fourier space
also did some cleaning up on mpie_spectral.f90
2010-09-22 12:04:43 +00:00
80618c9814
Cleaned-up, rearranged state variables
2010-09-22 09:00:40 +00:00
7548858ffa
Some useful changes in damper for quicker convergence.
2010-09-22 08:54:36 +00:00
604992a9e1
fixes bugs in screen output, changed gmsh output, now the deformed mesh is written out
2010-09-22 08:51:34 +00:00
6920d8d939
cleaning up, added new output to gmsh and to screen, prepared calculation of deformed mesh
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new convergence criteria: divergence of stressfield (in fourier space)
2010-09-21 15:38:25 +00:00
8488cafe3a
now consistent with numerics.f90 values
2010-09-21 14:37:52 +00:00
18c86ca0b1
Updated corresponding files for titanmod constitutive
2010-09-13 09:29:03 +00:00
9a20f742ea
leaner memory requirement to store states and their rates when calculating the crystallite stiffness
2010-09-13 09:13:25 +00:00
1693bfca47
changed calculation of defgrad from cauchy-stress to pk-stress, now working in large-strain-formulation.
...
output of msh-file changed to deformed configuration, removed output of defgrad as a field
2010-09-07 16:37:55 +00:00
3c5f38643d
Brushed up accountability of twinning to Lp
2010-09-07 14:44:37 +00:00
7d4c7f7fa7
corrected bug in debug: stressloop info was erroneous
...
mesh init now showing much more ip statistics in verbose mode
2010-09-07 09:06:02 +00:00
a3c92061f9
1) terminallyIll was reset before FE did cutback --> useless extra calculations of same problem over and over...
...
2) local stiffness calculation is now standard for non-local grains
3) stressLoopDistribution discriminates between (a) central solution and (b) stiffness perturbation
4) debugger is switched on as standard... (but verboseDebugger not!)
2010-09-06 16:06:41 +00:00
00922705eb
now using current average stiffness for reference material stiffness
2010-09-06 10:00:59 +00:00
c19524f264
1) fixed terminallyIll bug occurring with Ngrains=1 homogenization
...
2) brushed up the output to be more easily readable/understandable
2010-09-01 21:04:02 +00:00
4f29e8c2fe
Introduced twinning. Twinning based on accumulated shear on twin systems. No slip-twin interactions yet.
2010-09-01 10:07:52 +00:00
a5c228fd02
changed back transform to complex-to-real, removed redundant variables, reduced size of arrays where possible
2010-09-01 08:05:11 +00:00
85febf0803
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile
...
changes on mpie_spectral.f90:
new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange.
ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 16:39:38 +00:00
05568ef73b
calculation of state damper was erroneous for use with nonlocal and other constitution at the same time
2010-08-26 12:54:31 +00:00
197d7ea8d9
rearranged output statements in crystallite init for better readability in output file
2010-08-26 09:52:40 +00:00
ec4269bdd8
Added 'dislocation-type' dependent interactions. Ideal for hexagonal and BCC structures.
2010-08-23 11:36:51 +00:00
da53656c9a
added C3D20R (type 9) to list of possible non-local elements (Christoph, should we invent a reasonable error number for this? "-1" may not be optimal...)
2010-08-19 23:00:26 +00:00
c352146fe6
exchanged forall (warning causers) to nested do loops
...
deleted (currently unused) symmetrization of H tensor in CPFEM.f90 --> Denny pls advise?
2010-08-19 21:35:38 +00:00
f78b07448f
some modifications in line with Davids analytical model
...
input some additional variables via material.config
2010-08-17 14:23:55 +00:00
bb9899e7de
1) added element type 57 (C3D20R) reduced quadratic hexahedral
...
2) need discussion about the present omission of the FE_nodesAtIP for type 8 --> added comment into source code
2010-08-16 22:53:24 +00:00
9f071c3e01
Added kink-pair pre-factor for screw dislocation mobilities on non-basal slip systems in hex
2010-08-06 15:53:45 +00:00
298cecbfec
corrected syntax errors (long lines, line continuation by \) and logical mistake in mpie_cpfem_marc / abq_std which went unnoticed in ifort. Using SunStudio f90 surfaced those...
2010-08-03 23:47:00 +00:00
60decea760
Calibration (Prismatic slip) of the new dislocation density based CPFE model for single crystal alpha-Ti (Titanmod). Formulated edge and screw dislocations mobilities in presence of kink pairs. Updated comments. The model shows the plateau in stress evolution in prismatic orientation which is observed in experiments.
2010-07-15 07:16:15 +00:00
49926d5d66
F77 --> F90 polishing/condensation as far as possible.
...
next step is change of Re/Im FFT to Re only...
2010-07-13 15:29:26 +00:00
4d110126da
adopted improvements done by Arun Prakash.
...
mesh:
elemType identification based on lower case
Abaqus now reports more errors
IO:
new function to inquire whether inputfile contains "parts"
new function to assemble multiply included inputfile into a flat one
awareness of range generation in element numbers
error reporting
2010-07-13 10:26:07 +00:00
eb7830dc8f
New Titanium CPFE model based on dislocation density. Running but calibration and changes needed.
2010-07-13 08:19:25 +00:00
397db06fb3
cpfe_general now returns also Kirchhoff-stress P and dPdF
...
added dummy variables P and dPdF to mpie_cpfe_* to be able to call cpfem_general correctly
2010-07-07 09:58:18 +00:00
80016f8429
added P and dPdF for the call to cpfem_general, made some comments in the code, aligned some loops
2010-07-07 09:10:54 +00:00
f9834bc612
changed types of integers and reals in fourier transform, changed some variables and cleaned up code to make it easier to understand
2010-07-05 16:01:36 +00:00
c3e222dbbd
errs added etc.
2010-07-05 11:33:48 +00:00
4f76eada31
started suggestions for F77 --> F90 style
...
xkdyad useful..?
looking for error calculation (Ricardo to rescue here)
2010-07-02 17:15:53 +00:00
d6ba9d54b6
changed declaration of two variables from real to int, spectral method is now working.
...
started to commend Ricardos code, layoutet loops and removed some redundant variables.
until now, no error calculation is done. at the moment calculations are in an infinite loop
2010-07-02 14:10:36 +00:00
661bb97800
corrected some problems in building mesh
2010-07-01 15:20:39 +00:00
2ec39c936c
added first version of spectral method, changed corrected functions to get correct path to files
2010-07-01 15:20:06 +00:00
c3e51e5330
added functions to read out resolution, dimension and homogenization from mesh file
2010-06-25 11:31:05 +00:00
eb0cc24a8e
no need for material parameter "a" anymore, dislocation stress calculation now works without "core spreading"
2010-06-21 16:01:05 +00:00
7d6e52067b
dislocation stress based on dislocation density gradients
2010-06-21 15:58:56 +00:00
6d874e2c1f
nonlocal stiffness calculation:
...
rather perturb all components at once (and optionally decrease the frequency of the Jacobian update with the iJaco parameter) than perturbing only a single component per cycle
2010-06-17 06:32:56 +00:00
1c72439350
first shot at init with CPFEM_general
...
better would be to manually read the mesh resolution, set up Spectral solution strategy and call CPFEM_general just during BVP solution.
2010-06-10 15:32:06 +00:00
8ea52ac495
mpie_spectral now can read loadcase data
...
adapted error codes
2010-06-10 14:51:10 +00:00
386ca7ebc3
added some basic I/O functions to mpie_spectral.f90
2010-06-10 08:50:04 +00:00
740db98090
- use upwind differences scheme for fluxes instead of central differences
...
- introduced possibility to "reflect" fluxes at free surfaces in order to have quasi-periodic fluxes
2010-06-09 08:56:00 +00:00
11b98fbfa6
added ID functionality and correct line endings
2010-06-08 10:10:57 +00:00
82687d31c8
first shot at mpie_spectral wrapper
2010-06-08 10:08:15 +00:00
7e78932976
renamed "mpie_cpfem_init" subroutine within mpie_interface module to more general name "mpie_interface_init"
2010-06-08 09:35:13 +00:00
71c6179ee5
dislocation stress had wrong sign in some components
2010-06-08 09:34:23 +00:00
3ce1882d29
when calculating dislocation stress at grain boundaries, densities are now extrapolated similarly to like it was already done at free surfaces
2010-06-07 16:01:37 +00:00
3989cc2688
dislocation stress now considers dislocation segments of length V^(1/3) and ensures non-singular solution for points that are collinear to the dislocation line by means of a core spreading parameter "a". stress is scaled by a reference cutoff radius "r" to avoid mesh-dependent stress values.
...
corrected formula for conversion of anisotropic elastic constants to isotropic Youngs modulus and poissons ratio
2010-06-07 14:32:23 +00:00
5283ba5546
if it is pReal it should be 1.0 not just 1
2010-05-31 07:12:45 +00:00
76b392e12f
dislocation stress calculation in constitutive_nonlocal_microstructure: corrected mapping from lattice to slip system frame and the neighboring dislocation density formulation
2010-05-28 13:12:36 +00:00
bb73a74325
there was a line break missing so that it did not compile
2010-05-26 17:10:26 +00:00
9932c90c73
restoring the crystallite.f90, IO.f90 and material.f90 to the version 575. the version 576 of these files contain some uncleared debugging statements.
2010-05-26 16:34:44 +00:00
d114a600c3
fixed some errors in QuaternionToEuler, RToQuaternion to get the correct texture representation in the output.
2010-05-26 15:52:54 +00:00
e5f0af638e
fixed calculation of dislocation stress for elements with a single ip and no neighbors; used to get segmentation fault
2010-05-26 09:17:10 +00:00
0c5bc83469
in nonlocal_microstructure: at the model surface the excess density is now extrapolated from opposite neighbor instead of assuming zero density; this results in better modeling of the dislocation stress at the surface
...
restructured nonlocal_dotstate, to be able to easily switch on and off particular effects in the microstructure evolution
nonlocal_dotstate now enforces a cutback when single density runs the risk of becoming negative; in the case of a state already below the relevantState dotState is set to zero
introduced two new output variables: rho_dot_edge and rho_dot_screw
2010-05-21 08:51:15 +00:00
dba4ae7ef1
new numerics parameter "defgradTolerance" replaces "relevantStrain" in cpfem, since "relevantStrain" is also used in crystallite but in a different context.
...
"defgradTolerance" gets the same standard value as "relevantStrain" so calculations should be consistent with older ones
2010-05-20 14:55:11 +00:00
3a23dc4bbd
first call to hypela2 in inc 0 is done with computation mode 2 (=plain calc), but since rev. 539 the second call was done with computation mode 6 (=only return values) instead of 2. This doesnt work, because computation mode 2 might calculate stress and tangent for all materialpoints, but the mapping from lattice to current configuration is only done for the element/IP that triggers the call.
...
So switched back to the former order of calls which also works for marc2010:
el 1 IP 1 | el 1 IP 2
|
inc mode lovl | inc mode lovl
------------------ | ------------------
0 2 6 | 0 2 6
1 6 4 | 1 6 4
1 4 6 | 1 3 6
1 6 4 | 1 6 4
1 1 6 | 1 2 6
Still to be checked:
according to Franz the lovl order could be different in contact analysis (e.g. starting with lovl 4 instead of 6)
2010-05-20 09:14:59 +00:00
51da3b6242
sorry, in rev 568 some variables were not declared in crystallite_postResults
2010-05-18 12:36:09 +00:00
472684c30e
make element type 8 (= hex8 reduced integration) available for nonlocal constitutive law
2010-05-18 08:13:23 +00:00
19b6fae88b
added a missing exclamation mark in front of an $OMP directive
2010-05-18 08:07:55 +00:00
d96780967b
added some output variables in crystallite: F, Fe, Fp, Ee, P, S
2010-05-18 07:57:13 +00:00
15328e51cf
Like this Euler angles AND grain rotation should be OK.
2010-05-11 15:06:21 +00:00
483584ceb3
improved version of general I/O functions
...
renamed module cpfem_interface to mpie_interface
2010-05-11 06:57:15 +00:00
e810e5cfa1
changed fileopen routines in IO.f90 to use solver dependant functions defined in the interface routines
...
DID NOT test ABAQUS versions yet, not shure whether (V)GETOUTDIR returns path with or without terminating slash
2010-05-10 15:02:59 +00:00
0416c9a616
reworked build_ipNeighborhood
...
added C3D8R reduced integration hexahedral element
2010-05-10 14:54:59 +00:00
2405a51042
crystallite:
...
- grainrotation calculation now is done with symmetryID 0, i.e. without symmetry reduction since we want the absolute misorientation.
- While math has everything in radians, post results eulerangles and axisangle are given in degrees.
And: grain rotation seems OK after the previous changes in math module.
2010-05-07 12:01:46 +00:00
97f206d0bc
new errors regarding Spectral method input file parsing
...
mesh setup from Spectral input file
$Id$ in FEsolving activated
2010-05-06 16:40:47 +00:00
e4067f2d26
debugged zoo of rotation operations and transformations
...
all angles now in radians
introduced a rudimentary check in math_init to complain (IO_error) about broken transformations (e.g. quat --> R --> quat)
2010-05-06 14:07:21 +00:00
f23b4d16d1
updated section with dislotwin paramters
2010-05-06 09:01:54 +00:00
383a36b226
added comment on reformating to common block files
...
added modifications necessary for running the subroutine with Marc/Mentat2010
2010-05-06 08:50:54 +00:00
393a67e587
now stating instance when sanity checks run into trouble
2010-05-05 13:36:59 +00:00
0a36527f61
fixed bugs in math_quaternionDisorientation
...
though running, there still seem to be some problems with the quaternion functions, since crystallite_grainRotation gives some dubious results!
2010-05-04 16:02:05 +00:00
ba48e5d3ab
fixed syntax errors in last commit -- hopefully no further ones...
2010-05-04 13:03:35 +00:00
cecffffe2b
disorientation with symmetryType == 0 returns plain misorientation
...
complain about unknown symmetryType
2010-05-04 12:54:13 +00:00
adaeb0e1ef
rotation axis is undefined for small angles and therefore gets a NaN
2010-05-03 18:27:19 +00:00
ea718573ef
return 180° disorientation about 100 for neighbors with different phases
2010-04-29 12:28:51 +00:00
8ab101da50
safe use of acos function in math_QuaternionToAxisAngle
2010-04-29 10:33:39 +00:00
15e5dcf8f2
math_QuaternionToAxisAngle now safe for small or close to 2pi rotations.
2010-04-29 10:01:09 +00:00
e8719cb6b8
Table driven input works wirh 2010!
...
That leaves DDM to do for tomorrow ;-)
2010-04-29 09:43:31 +00:00
aaf1bf0edf
fixed (first) problem with Marc2010 single job with old style input and extended precision should work now!
2010-04-29 08:15:29 +00:00
c34c07a6ff
statedamper has to be local (specific for each e,i,g); with a global damping we may produce spurious convergence
2010-04-29 07:41:29 +00:00
77dc16d15f
print aged state of 1 1 1, which always exists, to avoid segmentation fault
2010-04-29 07:34:20 +00:00
79f286f24c
small typo
2010-04-28 17:45:30 +00:00
0b83fa0fb2
corrected (?) disorientation calc and introduced some new assisting functions
2010-04-28 17:19:58 +00:00
35cebfb132
extended output string length for init msg
2010-04-28 17:19:06 +00:00
a36951a6ac
changed common block files to release version
2010-04-28 07:28:12 +00:00
e8ab495a6c
Introduced new parameter NaN, not a number. It should be assigned for invalid results, such as currently for misorientation of unknown crystal symmetry.
2010-04-19 13:40:22 +00:00
cab2261693
New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
2010-04-19 10:03:34 +00:00
249042c2d3
New output can be requested from crystallite:
...
(output) grainrotation
it gives the deviation from the initial grain orientation
in axis-angle representation with the angle in degrees.
2010-04-12 11:14:36 +00:00
653837046e
new: math_QuaternionToAxisAngle
2010-04-12 11:07:25 +00:00
adf6206b71
corrected symmetry operations for hex.
2010-04-12 08:04:26 +00:00
fc3f35cf3b
debugger = .false.
2010-04-08 09:30:25 +00:00
1730a90e12
corrected ip numbers in FE_ipNeighbor for element type 21; used to get wrong neighborhood for this element type
2010-04-06 11:45:23 +00:00
9b5047c828
corrected two OMP CRITICAL terminations
2010-04-06 06:47:15 +00:00
1bf740eb9d
an allocation statement was deleted from rev 518 to rev 520!!!
2010-03-30 13:15:18 +00:00
67c523e4b1
enclosed output statements in an "if (verboseDebugger)"
2010-03-25 08:27:42 +00:00
9026cc4016
again corrections. but this version must work.
2010-03-24 16:23:21 +00:00
414050303b
forgotten: the change in the input config
2010-03-24 13:28:46 +00:00
40b1478dac
the latest RGC model + corrections for "element homogeneous" feature
2010-03-24 13:20:12 +00:00
3aa2dd5fef
removed special characters from twip steel section in material.config
...
changed crirtical twin stress in constitutive_dislotwin.f90
2010-03-24 08:17:27 +00:00
2c6c8fa04e
ensure positive eulerangles in math_QuaternionToEuler
2010-03-19 16:11:53 +00:00
f4e5d32cde
added flag verboseDebugger to debug in order to have more control about debugging statements
...
set this to true if you want extended debugging info in the output file
2010-03-19 14:14:08 +00:00
418bb9ecbe
small improvement in readability
2010-03-19 12:56:00 +00:00
948c119ee9
changed internal representation of orientation and misorientation from euler angles to quaternions (this should also fix some bugs in the math_misorientation subroutine). includes a couple of new functions in math.f90 and some changes in crystallite.f90.
...
beware that crystallite output "orientation" now by default returns the orientation as quaternion. if you want euler angles instead, you have to add "eulerangles" as a crystallite output in your material.config file (see material.config template).
for input of orientations in the texture block of the material.config you still have to specify the rotation in terms of euler angles, quaternions are not yet supported for input.
2010-03-18 12:23:17 +00:00
e6fdfdfc36
iJacoStiffness belongs to numerics, not debug
...
sorry for not having checked that before
2010-03-17 17:00:54 +00:00
1a992e1aef
nonlocal stiffness calculation produced segmentation fault for cycle number > 16. Corrected calculation of perturbation indices k and l.
2010-03-10 09:53:41 +00:00
e3dd7551dc
added output for dislocation evolution rate associated with flux: "rho_dot_flux"
2010-03-10 09:49:40 +00:00
4752bbe42e
deleted unused <global> part from file
2010-03-09 15:36:07 +00:00
61bd0224c1
- corrected an if statement in the state loop
...
- nonlocal stiffness calculation: we perturb all material points at the same time, so instead of N^2 loops we just need N
- set "forceLocalStiffnessCalculation" to false as standard
2010-03-04 17:27:39 +00:00
a0d28ebc18
- flux calculation is now also compatible to neighborhood of local constitution
...
- flux density interpolation now depends on the position of the interface between ttwo neighboring material points
- simplified flux calculation scheme
- introduced sanity check for dislocation velocity to ensure v*dt< cellsize
2010-03-04 17:14:47 +00:00
947af80a2e
removed old debugging statements
2010-02-26 12:02:49 +00:00
8c8ed34356
reworked crystallite part to allow for flexible user output
...
--> new "crystallite" part in config file
--> new "crystallite" option for microstructures
--> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
2010-02-25 17:39:11 +00:00
538faecf45
new output "dislocationvelocity"
2010-02-23 17:23:07 +00:00
c1717329ac
only need 2 logicals in crystallite_stressAndItsTangent to reflect all possible integration states, so crystallite_onTrack was obsolete and replaced by crystallite_todo; broken state update now directly produces a cutback
2010-02-23 09:46:39 +00:00
7526a24a1b
now with functionality to output a "JOB.outputHomogenization". This contains size descriptions of all requested output variables to be parsed by a further script to generate meaningful names for user defined vars... (watch out!)
2010-02-19 18:03:16 +00:00
aab5598d96
detabbed file for better readability
2010-02-19 13:44:38 +00:00
8c5852dedf
corrected messed up output of grain orientation in t16-file.
...
this bug affected at least all calculations done after revision 480 (Dec 18, 2009)
2010-02-18 16:09:45 +00:00
e9aac0c4af
(1) change phaseOfGrain from real to integer and (2) introducing a condition to switch off the grain reshuffling when element homogeneous is requested.
2010-02-18 15:54:10 +00:00
d60d8a4103
small readability improvement
2010-02-18 15:06:08 +00:00
7e632e8132
corrcected definition of forceLocalStiffnessCalculation
2010-02-18 14:43:40 +00:00
e1a25e0f73
renaming of abaqus to _std and adding of VUMAT interface for explicit.
2010-02-18 10:23:42 +00:00
af06e8e58f
fixed some dangerous constructs in computation mode assignments
...
introduction of separate stress and stiffness variables to pass on to CPFEM_general (of dimension 6)
2010-02-18 10:23:02 +00:00
78808a7d47
corrected corrupted header $id
2010-02-18 10:18:15 +00:00
4cb7254a21
added new computation modes 8 and 9 for Abaqus_exp. These correspond to mode 1 and 2 but do collection and calculation in one step.
...
stress and stiffness are always of dimension 6 in CPFEM_general, hence, variable "ngens" useless by now
2010-02-18 10:15:08 +00:00
c3cd75c2c2
small polishing
2010-02-18 10:12:45 +00:00
9c63005c8f
allow for longer pathes when openening files
...
corrected error messages concerning file openening
2010-02-18 08:29:57 +00:00
97db70cf23
constitutive_nonlocal:
...
- reworked contribution of immobile dislocation density for rate equations
- flux is now calculated on the basis of interpolated velocities and densities at the interface; both incoming and outgoing fluxes are considered, so every material point only changes his own dotState
- dislocation velocity is now globally defined and calculated by subroutine constitutive_nonlocal_kinetics; the subroutine is called inside _LpAndItsTangent as well as _microstructure; therefore, microstructure now needs Tstar_v as additional input; in the future one should perhaps create a subroutine constitutive_kinetics that calls constitutive_nonlocal_kinetics separately, to clearly distinguish between microstructural and kinetic variables
- better use flux density vector as output variable instead of scalar flux values for each interface
- added output variables internal and external resolved stress
crystallite:
- added flag to force local stiffness calculation in case of nonlocal model
- misorientation angle is explicitly set to zero when no neighbor can be found
debug:
- added flag "selectiveDebugger" that is used when debugging statements should only affect a specific element, ip and grain; these are specified with the new variables debug_e, debug_i and debug_g
- debugger can now be used in its original sense
2010-02-17 13:21:36 +00:00
a2037db9c6
corrected sign of screw part of dislocation stress
2010-02-12 12:54:00 +00:00
f1daf9f2e7
added comment, my first 'test' SVN commit
2010-02-10 16:40:50 +00:00
f186c83068
introduced racing condition breaker for the case of multithreaded CPFEM init.
2010-02-02 15:00:08 +00:00
101d4c6bb4
updated list
2010-02-02 13:05:17 +00:00
02b98100d1
added / updated files for use with marc2010r1
2010-01-11 08:35:28 +00:00
ed8446e0f3
- corrected contribution of immobile singles to dipole formation and annihilation rates
...
- remobilization of immobile singles immediately increases the mobile single dislocation density and therefore directly affects all other mechanisms in dotState
2010-01-06 09:54:00 +00:00
dce840c0a5
- introduction of immobile (used) single dislocation densities as new state variables
...
- changed nomenclature (rho -> rhoSgl) to distinguish precisely between single dislocation density and total dislocation density
- changed material.config accordingly
2010-01-05 16:07:24 +00:00
2098c106ad
misorientation is set to 400 degrees if our neighbor has a different phase
2010-01-05 16:03:45 +00:00
aee0721ab2
corrected math_misorientation
2010-01-05 16:02:00 +00:00
Pratheek Shanthraj