7358dd6679
fixed wrong index contraction in acoustic tensor calculation
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(blew up calculations with zero Poisson ratio...)
2012-11-28 18:46:07 +00:00
6bb3a475ce
added output of current relative tolerance when reporting relative errors
2012-11-28 18:44:51 +00:00
5ea0139678
simplified the rate calculation interface in DAMASK_spectral_utilities.f90, corrected bug in rotation parsing and added debug option "rotation" to spectral solver options. This will show the current average stress and deformation additionally in lab coordinate system
2012-11-28 15:04:05 +00:00
07bec16268
corrected compilation exception for gfortran in case of compilername!=F90
2012-11-28 13:54:02 +00:00
29618df550
annihilate only part of the screw dipoles (specified by minimumDipoleHeight), not all; moved annihilation of screws from deltaState back to dotState
2012-11-28 12:09:48 +00:00
e10000a338
Introduced an alternative cutback scheme for the nonlocal model, that allows to keep the results of most of the ips that immediately converged, and only do cutbacks in regions where some ips are in big trouble. Only works for nonlocal model and state integrator 2.
2012-11-27 18:36:55 +00:00
e45e1316ba
removed auto detection of compilername, it only works if the file you're looking for (in our case "ifort") is in the same directory as the Makefile
2012-11-27 17:22:03 +00:00
1e32eb560e
corrected buggy calculation of Schmid matrix for twins introduced in rev1809.
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(stress acting on twin systems was overestimated by factor of sqrt(3) due to that!!)
additional polishing.
2012-11-23 17:02:50 +00:00
11ed7fab86
corrected bug in curl calculation causing the output of transposed tensor (according to information stored in testing/9102/proof/Curl of Tensor - Physics Forums.pdf)
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addCurl test is now done against analytical solution and working, added it to list of automated tests.
small improvements on test.py
2012-11-23 15:16:51 +00:00
e584c0e6e8
deleted space in front of preprocessor line
2012-11-22 20:04:33 +00:00
dbc26e5f25
corrected auto detection of ifort compiler
2012-11-22 13:17:54 +00:00
38ec462f4a
order of integration now same for all state integrators: first calculate the dotState and then the deltaState
2012-11-22 13:04:19 +00:00
7d196fbb25
polishing
2012-11-22 09:58:36 +00:00
23a0ca3b59
keep "odd" stress in rnd-range of -1.0 to -0.5 and 0.5 to 1.0
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serial calc now skips IPs when /elementhomogeneous/
for /elementhomogeneous/ IPs > 1 individually copy the result from IP 1 to prevent spuriously outdating themselves.
2012-11-21 17:00:29 +00:00
ec8a84ded7
added output of element and ip to debug messages
2012-11-21 16:58:14 +00:00
d189a6a7a0
polishing
2012-11-21 16:57:57 +00:00
760af1fbbf
crystallite_requested now masked by execIP, now elemhomogeneous works again
2012-11-19 15:13:48 +00:00
d4a59541ad
removed write statements which were introduced for "debuging"
2012-11-19 15:12:11 +00:00
9fb94cd707
breaking crystallite loop in case of terminally ill (this functionality was probably lost since rev1886)
2012-11-19 08:39:48 +00:00
4195d53d11
message of last commit was incomplete: moved annihilation of screw dipoles from dotstate to deltaState, since it is not a rate
2012-11-17 13:54:22 +00:00
467c186f0f
annihilation of screws
2012-11-17 13:50:20 +00:00
dc5cd8a4c4
A modified twin-twin interaction matrix for BCC is introduced.
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An introduction of a third parameter at the interactionTwinTwin in the material.config for BCC-dislotwin materials is essential.
2012-11-16 13:39:08 +00:00
d9a98417ca
switched element library to geomType based.
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saves to copy same geometry description for different elements that are essentially similar regarding the IP number but differ in total node count.
introduced quadratic tetrahedron (Marc element 127 -- element 157 might also work, but did not perform well in fully elastic calc so far)
2012-11-15 22:45:20 +00:00
aec163941d
calculate ip coordinates only once when the first ip enters calculation mode
2012-11-15 12:31:39 +00:00
bdbc202c7e
corrected typos
2012-11-15 09:22:36 +00:00
c0a5a1dfd1
Formation of the Slip-Slip interaction matrix for BCC.
2012-11-14 17:35:33 +00:00
7e683ca7c3
removed coordinates from call to CPFEM_general and introduced direct storage of coordinates to mesh_ipCoordinates
2012-11-14 14:38:10 +00:00
1896c07c70
corrected some bugs in the last commits
2012-11-14 14:33:41 +00:00
c8be3a03bd
The twin system <111>{112} for BCC is introduced.
2012-11-14 13:43:59 +00:00
6b010b4a46
Twin-slip interaction matrix for BCC is set to 0.
2012-11-14 11:53:22 +00:00
b0464ad176
A modified slip-twin interaction matrices for FCC and BCC are introduced.
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The shear twin value for BCC is corrected.
An introduction of a third parameter at the interactionSlipTwin in the material.config for dislotwin materials is essential.
2012-11-14 11:13:16 +00:00
fb2981b4c4
switched matrix indices in SlipSlip, SlipTwin, TwinSlip, and TwinTwin such that first index refers to first name and second to second...
2012-11-14 10:27:23 +00:00
e4ce63d689
switched matrix indices in SlipSlip, SlipTwin, TwinSlip, and TwinTwin such that first index refers to first name and second to second... (used to be transposed for memory efficiency)
2012-11-14 10:22:34 +00:00
789e6c7d83
dropped support of MSC.Marc/Mentat 2007 and 2008
2012-11-14 09:57:18 +00:00
ad9639f2f7
check for existence of files before sym-linking to them.
2012-11-14 09:40:45 +00:00
c3926efd93
introduced logic to use gfortran as default if ifort is not found
2012-11-13 19:12:00 +00:00
922042d8d5
now automatically using gfortran if no ifort is found
2012-11-13 18:40:14 +00:00
0c87fc16f4
renamed the keyword for the make options from make to options
2012-11-13 17:26:25 +00:00
70c4e11742
added comments and structured the code. Temperature is not longer stored for each point but only to simplify restart behavior as long as it is not fully supported by the constitutive models
2012-11-12 14:14:39 +00:00
3c53f3ec9a
last version contains buggy mesh.f90; corrected typo in initialization
2012-11-09 07:52:44 +00:00
366ac28694
parallelized mesh_build_subNodeCoords and mesh_build_ipCoordinates
2012-11-09 07:47:14 +00:00
b1c3c57412
some more finetuning, still not running on gfortran 4.5.0
2012-11-08 21:33:58 +00:00
c831716b26
reseting value vector when reading in for loadcase file, otherwise NaNs might be in there
2012-11-08 20:35:31 +00:00
11264f3fe4
forgot to check for convergence flag in FPI integrator
2012-11-08 20:15:19 +00:00
60438cdbcc
criterion for crystallite cutback loop changed from crystallite_subStep to crystallite_todo; this avoids problems when the last substep of the crystallite increment is below subStepMinCryst (which is allowed during last wind forward)
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fixed bug in the adaptive Euler integrator and the RK4 integrator, which could not reach the stateJump function, because of erroneous check for converged flag; also corrected the state counter for the RK4 integrator
2012-11-08 20:00:29 +00:00
ee5903c767
replaced real 'guessmode' with logical 'guess', caused trouble on gfortran 6.3 with ultra optimization
2012-11-08 19:32:00 +00:00
6a86f36407
now having libraries from Makefile before PETSc Libraries in linker order
2012-11-08 18:26:10 +00:00
c775edaa6d
better avoid initialization of residuum_old with huge, since it posed problems in Abaqus
2012-11-08 13:26:22 +00:00
dad9922f54
fixed bug in crystallite_FPI: stateDamper always has to be defined for each grain
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added some OMP FLUSH statements were necessary
replaced openmp do by forall construct where possible; this is much safer and perhaps even as fast for small loops
2012-11-07 15:43:29 +00:00
bbcffa668b
some small changes in including PETSc *.h90 files to prevent warnings.
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It seems that a bug in old gfortran 4.5.0 causes the problems, at least with 4.7.3 it seems to work after fixing the bugs in IO.f90
2012-11-07 13:11:41 +00:00
9b99825ac6
preventing array index out of bounds in case of empty line, removed to goto statements
2012-11-07 09:31:46 +00:00
5214b93342
fixed bug when reading in geometry for spectral solver
2012-11-06 17:16:01 +00:00
3ada4897fb
reordered PETSc initialization (now first part done in interface, setting of parameters done in numerics), removed unnecessary includes for PETSc
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still not running with gfortran, use at own risk!
2012-11-06 16:00:51 +00:00
a86d528a4a
replaced call flush(6) by flush(6), slightly improved formating for output of gfortran version
2012-11-06 15:50:20 +00:00
5b6baa7c0d
introduced distinction between ip coordinates and cell center coordinates; the former can be globally calculated by subroutine mesh_build_ipCoordinates, the latter locally by the function mesh_cellCenterCoordinates; renamed mesh_ipCenterOfGravity to mesh_ipCordinates
2012-11-06 14:37:13 +00:00
bb033c5fe7
Simplified algorithm of crystallite_integrateStress while preserving (almost) same functionality.
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Removed "leapfrogging" (increase of step for next guess, when last guess was ok); Replaced Armijo rule testing for step size by simple check if the residuum got better, since the former virtually did not have any effect; consistently using the 2-norm of the residuum rather than infinity-norm for the convergence check throughout the function
2012-11-06 12:35:45 +00:00
639d6e0655
inserted missing flush(crystallite_todo) in parallel section; might have caused trouble in parallel calculations before
2012-11-05 14:45:52 +00:00
086fe138b1
substituted matrix inversion to solve equation by direct solution routine from LAPACK
2012-10-31 09:56:26 +00:00
55dc286be2
corrected limit for upper stable dipole distance; fixed a bug in the postResults where division by zero might happen
2012-10-29 13:02:01 +00:00
f666f8dcf3
added possibility to scale the plastic shearrate by the ratio of mobile to total density; keyword in material.config is "deadZone"
2012-10-29 12:49:28 +00:00
ca596bc7af
error messages are now printed, added svn properties
2012-10-25 09:16:17 +00:00
93cc466749
third entry in mesh_ipNeighborhood stores the neighbor_index that points from each neighbor back to the central ip; needed in nonlocal model
2012-10-24 14:03:02 +00:00
13b55275b1
documented utilities and structured, worked on the restart capabilities of the new basic solver
2012-10-24 11:31:40 +00:00
5ad0eda1b6
switched saturation behavior!!
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was \dot s_alpha = (1-s_alpha/s_inf)^a h_alphabeta \dot gamma_beta
now \dot s_alpha = h_alphabeta (1-s_beta/s_inf)^a \dot gamma_beta
current form is consistent with the genmat implementation (and appears to make more physical sense). Kalidindi_etal1992 suggested this form, but altered it to the alpha-one in Bachu+Kalidindi1998... By now, it seems that some groups use alpha, others beta approach.
introduced two new absolute tolerance values for "shears" and "twinFrac" (default 1e-6).
2012-10-22 14:55:07 +00:00
2be331b74d
In crystallite for state integrators 2 and 3: now that "stateJump" is called before integrating dotState, we have to do state = state + dotState *dt instead of state = subState0 + dotState * dt; otherwise the deltaState is lost
2012-10-22 13:34:15 +00:00
0980920b66
In crystallite: for state integrators 2 and 3 the deltaState always has to be done at the beginning of the integration, not at the end; otherwise the stiffness calculation can be completely wrong, when the state is changed after the stress integration for the central solution.
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Also changed some debugging levels in crystallite and mainly in constitutive_nonlocal
2012-10-22 07:59:35 +00:00
3ecaa9e371
modified multiplication term in order to mimic a discrete distribution of dislocation sources; namely, at high resolution, when there is (on average) less than one source per integration point, a random generator decides whether there is a source in the finite volume or not; if there is one, then the multiplication turns independent of the density and depends only on the velocity/volume times a scalar factor; recovers density*velocity/lambda for large finite volumes
2012-10-19 11:40:17 +00:00
36676029e1
for state integrator 2 (explicit euler) and 3 (adaptive 2nd order euler): don't do any state evolution during stiffness perturbation, but only stress integration, since for those cases the state is not restored after every perturbation step
2012-10-19 11:20:31 +00:00
b9f97ba5da
unified naming scheme, fixed a bug in the new basic scheme, and added a statistic file similar to abaqus to store the information on needed cut backs and iterations for each inc
2012-10-19 08:44:21 +00:00
6230dacbac
only first broken ip signals "terminally ill"
2012-10-18 13:48:06 +00:00
4a6e08bb69
changed keyword in spectral geometry file for multiplication of entries from "copies of" to "of"
2012-10-18 10:17:16 +00:00
dd5f453994
mainly cosmetics. added some comments. changed debug levels for some outputs. corrected (probably non-essential) check for NaN in FPI stressIntegrator.
2012-10-18 09:53:26 +00:00
79a5a30a90
removed now obsolete vectorproduct variables st, tt...
2012-10-18 07:25:49 +00:00
5f0440fde3
crystallite_integrateStress now raises an error if Fp becomes NaN
2012-10-17 16:19:42 +00:00
31f20e51da
just to be able to tell about the bug I found in the hex slip systems---which I actually forgot to mention during the last commit---I slipped in a syntax error that now is fixed, too...
2012-10-12 20:31:50 +00:00
05c5ea42d7
prepared loop distributions to hold "over shooters"
2012-10-12 18:00:55 +00:00
82a13af474
tidied up the Schmid matrix calculations.
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added internal check against dilatation in Schmid matrices.
2012-10-12 17:59:50 +00:00
b20c612e25
added error "0" for internal (run time) checks failing
2012-10-12 17:55:23 +00:00
1b2edd7e7d
fixed error in _identity (wrong delta-function)
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added _exp33 for matrix exponential
added trace33 for matrix trace
2012-10-12 17:54:20 +00:00
324dfda5a2
added comments (doxygen conform) to phenopowerlaw, added warning on specifying h0_sliptwin as it has no effect
2012-10-11 14:49:12 +00:00
e4054c116d
fixed problem with gnu compiler: allocation of variables in constitutive_nonlocal_stateInit was not safe when not using any nonlocal constitution
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put header of debugging output in constitutive_init at the start of the function in order to make debugging easier
2012-10-09 12:34:57 +00:00
a84e0529c3
make correction of hardening coefficients thread safe
2012-10-05 16:05:51 +00:00
40a2e652e7
introduced material parameter "linetension", which indicates how strong the effect of the line tension on the hardening coefficients is
2012-10-05 14:42:41 +00:00
7cc6108a04
hardening coefficients for fcc are density dependent (line tension effect, Devincre, Kubin, Hoc; 2006; Physical analyses of crystal plasticity by DD simulations)
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fixed bug with thermal annihilation producing negative density in case of very small dipole density and high climb velocity
2012-10-04 18:08:40 +00:00
80465c0b49
moved option for UTF-8 encoding to spectral interface as this is now called before prec init.
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if UTF-8 encoding is needed for FEM solver (old compilers might not support it), add the same statement to the corresponding interface routine
2012-10-04 14:22:39 +00:00
e2ea3cdff6
again some changes regarding creation of NaN, ieee-conforming way is not in the complilers yet.
2012-10-02 16:53:03 +00:00
bce8012c89
random distribution of initial dislocation density now really independent of meshsize
2012-10-02 15:26:58 +00:00
d5ce49c471
numerics got some protected statements and is now reading in the new keywords for the solver selection in small letters.
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spectral solver got cut back facilities + improved output to screen
2012-10-02 15:26:56 +00:00
91b7883c2a
random distribution of initial dislocation density now independent of mesh size
2012-10-02 13:35:34 +00:00
1502a71f0c
added possibility to start with an initial random distribution of dislocation segments with specific overall density
2012-10-02 12:57:24 +00:00
0bcb8f59db
added doxygen comments, some polishing, added "protected" statements where applicable
2012-10-02 12:53:25 +00:00
6301787df4
moved the the variable cutBack from FEsolving.f90 (where it was not used at all) to the interface routines to make responsibility of cut back control clear
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PLEASE RUN setup_code.py IF YOU DO MARC SIMULATIONS, THE INTERFACE HAS CHANGED
2012-10-02 12:46:58 +00:00
c8b7da432c
set debug_level to be protected as it is read-only for other modules
2012-10-02 09:35:39 +00:00
4c7bcb8df9
modified formated integer output and added error number in case maximum number of cutbacks is reached
2012-10-02 09:30:13 +00:00
9fc46b4950
added /echo/ statements
2012-10-02 08:12:53 +00:00
b99a846503
new scaling feature in numerics (unitlength) did not scale the reference coordinates in the first place; now this is taken care of in mesh.f90, so scaling should work properly
2012-09-25 16:21:58 +00:00
d0fd3c03c5
forgot to check in; belongs to rev 1762
2012-09-24 16:22:25 +00:00
912277d1ed
substituted the call to the flush subroutine with the intrisic flush(6) function
2012-09-24 12:10:28 +00:00
8336d0705c
new numerics parameter "unitlength" that scales the model size in DAMASK; this enables to use very small models in marc without getting any numerical problems for example with contact which does not seem to work when using very small numbers
2012-09-24 06:13:26 +00:00
b587bffdd5
added some 'protected' statements to variables that shouldn't be changed by other modules
2012-09-22 16:49:41 +00:00
8ed69170c5
corrected wrong warning complaining about FFTW string when DAMASK_NUM_THREADS undefined
2012-09-14 16:39:42 +00:00
1cfc467705
added new cut back parameter for spectral solver and instrumented variables for use with doxygen
2012-09-13 09:48:38 +00:00
b9a2890665
fixed bug in loadcase rotation: when not specifying "deg" the rotation was reset to 0,0,0..!
2012-09-06 14:05:28 +00:00
29023cea3c
minor correction of debugging output
2012-09-05 11:19:46 +00:00
330d71864e
fixed bug with stress BC handling
2012-09-05 08:30:15 +00:00
f153866030
introduced factor to control edge contribution to multiplication;
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dislocation density below a single dislocation per IP considered not significant
2012-09-04 16:56:37 +00:00
22812c9a91
some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4
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new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing)
updated preprocessing for documentation to handle precision correctly
2012-08-30 20:26:28 +00:00
299d9e6bc4
fixed bug in seed initialization that didn't allow to redo calculations that started with a random seed. Now the whole random seed array is set to one value, previously only the first one was reported and the remaining ones were random
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removed old random function used by halton
2012-08-30 14:58:30 +00:00
d80b45c1d9
added relativistic correction of velocity (maximum velocity given by parameter in material.config); probability of thermal activation in velocity law not allowed to be greater than one.
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output of creation rate for edge jogs now for own system, not collinear.
check for negative densities in dotState now uses absoluteToleranceRho instead of significantRho.
2012-08-30 07:33:13 +00:00
8e3b547cbd
changed numerics.f90 back to the old openmp statement as this doesn't seem to cause the problem and is standard conforming
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corrected typo in constitutive_j2.f90 that might cause abaqus to crash
now running 20 tests of abaqus in order to have a decent statistic about the crash behavior
improved abaqus_v6.env
2012-08-29 16:16:10 +00:00
84e3f94424
added flush for easier debugging
2012-08-29 15:23:43 +00:00
d83150be1b
now capturing "terminallyIll" for basic solution, should end in a automatic cutback of time steps for the spectral solver
2012-08-29 05:50:42 +00:00
3106b8ce0c
corrected definition of integer type for gfortran
2012-08-29 05:19:35 +00:00
d089c12947
abaqus seems to have similar problems with the openmp lib as marc (use module vs. include file), i hope this fixes the crashes
2012-08-28 19:48:38 +00:00
5e9e8497e6
new solver is now compiling without a PETSc installation, however only the plain basic solver is available then.
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also removed reporting of PETSc related variables in the case it is not installed/found
2012-08-28 19:19:47 +00:00
0f64289d75
fixed bug causing trouble with ifort 11 (abaqus)
2012-08-28 19:10:54 +00:00
0959ff3299
substituted hand written matrix inversion by LAPACK version with precision selection.
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also introduced check for inversion into DAMASK_spectral_Utilities.f90 for the stress BC calculation. This part is further improved by using 5% of the reference stiffness to avoid trouble in the fully plastic regime (where the stiffness is underestimated)
Test for Marc 2010 is updated because the new inversion give slightly different results near 0 (order of e-13)
2012-08-28 16:59:45 +00:00
73349d02f5
merged precision info into the file prec.f90 and removed prec_single.f90
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precision information is now parsed as a makro, defined by the compiler, eg. -DFLOAT=8 for 8 byte long floats or -- in case no values is given -- for the FEM wrapper by the interface files.
Please don't forget to run setup_code.py !!!!!!!!!!!
abaqus_v6.env is adjusted to specify the standard precision (float=8, int=4) and got some extra compilation options, some deprecated warning supressors are removed
Optional Marc modification will follow that allow automatic selection of suitable precision
2012-08-28 16:08:17 +00:00
f3e7b3cec8
added separate output of dipole formation rate for edge and screw
2012-08-27 15:57:31 +00:00
aa380dcb08
added separate output of dipole formation rate for edge and screw
2012-08-27 15:57:22 +00:00
efd1b513cf
fixed bug in divergenceFDM
2012-08-27 15:43:17 +00:00
9214da4465
added missing labels to list of available outputs
2012-08-27 12:41:57 +00:00
96ba5ecae4
moved some more 'mesh related' functions for post processing from math.f90 to mesh.f90
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f2py functions remaining in math.f90 now uses assumed size arrays in order to have simpler interfaces. This is only working with python 2.7!
changed python pre- and postprocessing scripts.
If you encounter any problems whith core modules, try to remove the old core.so in the lib/damask
2012-08-27 08:04:47 +00:00
55a5112f36
added comments for doxygen documentation
2012-08-25 11:46:36 +00:00
e335222bd0
added constitutive none to abaqus files
2012-08-24 19:21:39 +00:00
405c3765bd
fixed bug in fiber texture component caused non-even distribution by correctly getting numbers of the halton sequence
2012-08-24 13:27:55 +00:00
3cd5fa90e8
corrected dislocation multiplication term for special case of zero density
2012-08-24 11:36:46 +00:00
4f67d04c69
new parameter "significantRho" for nonlocal constitutive law ; density below this value will hardly contribute to dislocation glide or any dislocation reaction ; old parameter "absoluteToleranceRho" is now used only for its initial purpose, namely the absolute tolerance in the state integration
2012-08-23 05:48:21 +00:00
222aed9f60
derivative of velocity with respect to resolved stress was flawed; now much better convergence of stress integration for nonlocal constitutive law
2012-08-21 14:40:01 +00:00
ad7381cfdd
maximum relative step length in stress integration cannot decrease below 1
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intermediate tensor "A" is calculated only once before the Lp loop in "integrateStress"
2012-08-21 08:53:36 +00:00
35dffd52c1
now using spectral_quit (like old spectal solver, needed because of f2py)
2012-08-20 13:22:34 +00:00
b96df9987e
fixed reading/writing of integer arrays with function for real arrays
2012-08-16 14:55:23 +00:00
453c6031a7
added functions for reading values of integer data type to binary file, corrected comment on old versions which are for real (pReal) only
2012-08-16 11:57:15 +00:00
b2aacf9ca4
rates in constitutive_results are taken directly from last converged step and not calculated again; added output of rates for annihilation of screws and deposition of edge jogs on collinear system
2012-08-16 11:03:22 +00:00
bd754dbefd
corrected debug output of evolution rates; added possibility to change the safety factor for the CFL flux condition via the material.config file; updated the example material.config due to recent changes in nonlocal constitutive
2012-08-16 09:13:38 +00:00
0434ef3daa
some comments to be seen in documentation
2012-08-15 13:38:38 +00:00
c2c31a0a59
added SolverBasicPETSC module to the new FFT solver (solves the basic scheme using PETSc when mysolver = basicpetsc in numerics.config)
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some bug fixes
2012-08-14 16:58:23 +00:00
f5e7d576f1
introduced annihilation of screw dipoles; so far no thermal activation, but immediate annihilation; each annihilated screw dipole leaves behind an edge jog of same length as the dipole height on the collinear system
2012-08-14 12:26:20 +00:00
c1c5941733
stressAndItsTangent:
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when winding forward to last substep in increment, also do the calculation if this substep is below "subStepMinCryst";
output of "wind forward" and "cutback" info only for crystallites that are still "todo"
integrateStress:
maximum component in Lp determines absolute convergence criterium:
aTol = max(maxLpComp * rTol_fromConfig , aTol_fromConfig)
this ensures that small values in Lp do not spoil the convergence, similar to the effect of the relevantStrain parameter before (not needed anymore in the stress integration)
2012-08-14 12:07:59 +00:00
eae9a34c6b
corrected debugging output: extreme values of returned stress and jacobian belong to cpfem debugging, not homogenization
2012-08-14 11:48:43 +00:00
259eb7850e
more work on array ordering in new solver. (now working but not tested)
2012-08-10 17:01:58 +00:00
cd0da03ebc
changed comments to doxygen style
2012-08-10 15:58:17 +00:00
08c7be7d15
adaptive regrid now working, updates F and F_lastInc based on mapping.
2012-08-10 15:48:27 +00:00
b324a98014
changed order of most arrays to fortran-fast, whole new solver still work in progress
2012-08-09 13:04:56 +00:00
fe4d4d9525
changed comments in prec and IO to be read by doxygen, fine tuned output of doxygen and added precompilation for documentation
2012-08-09 11:01:53 +00:00
d0933dad7b
added filter option to the spectral solver to mitigate spurious oscillations due to gibb's phenomenon. activate by setting myfilter in config file appropriately (currently only 'none' and 'cosine' options coded). more cleaning up of AL code
2012-08-07 17:23:13 +00:00
925915e30d
some cleaning up
2012-08-07 12:02:57 +00:00
32f8c9c6ea
moved petsc option string to numerics and added new numerics parameters to config file
2012-08-06 17:27:53 +00:00
93658c72db
set auto values back to auto
2012-08-06 12:44:07 +00:00
7e3a837640
moved calculation and output of geometry related data to mesh.f90, moved output of command line related information to DAMASK_spectral_interface.f90.
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improved new solver structure (use with make SOLVER=NEW)
2012-08-06 12:43:05 +00:00
a48d180f8c
allow prefactor for self-diffusion to be equal to zero
2012-08-06 09:03:33 +00:00
e2a2621235
updates for AL version of spectral solver
2012-08-06 08:53:12 +00:00
e8df3678aa
added possibility to assign the transmissivity of grain boundaries a fixed value by use of the keyword "grainboundaryTransmissivity" in the material.config; grain boundaries are identified as interfaces between areas of different material_texture
2012-08-03 14:32:49 +00:00
948d9c03d0
new version of modular solver structure
2012-08-03 09:25:48 +00:00
3ffba037d4
Reading of euler angles from the loadcase corrected.
2012-08-02 17:52:07 +00:00
740357172a
Reading of Euler angles from the loadcase corrected.
2012-08-02 17:46:50 +00:00
ee1bde0cd7
enabling regridding more than once by introducing deallocation of arrays
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added J2 test (stub from Taymour)
2012-07-31 15:37:49 +00:00
5a89c783d4
deallocating already allocated arrays in case of regridding/restarting (i.e. when calling init more than once)
2012-07-31 14:00:15 +00:00
991a7bbd2d
reordered initialization for spectral method, corrected bug of deformation BC parsing when prescribing velocity gradient resulting in wrong average deformation
2012-07-30 15:51:48 +00:00
d4163dd16f
further work on modularization, basic scheme is now calculating the same results as DAMASK_spectral.f90
2012-07-30 14:06:22 +00:00
c341ddd855
more modularization….
2012-07-26 13:58:47 +00:00
4ed68bb4ae
next round in modularization
2012-07-25 14:01:39 +00:00
e1faad8bcf
next round in modularizzation of solvers
2012-07-24 17:07:10 +00:00
882c44a61d
changed the majority of debugging output to level "extensive"
2012-07-24 15:29:23 +00:00
15c5131874
corrected formulation of maximum height of screw dislocation dipoles
2012-07-24 14:50:11 +00:00
9c0a161ec0
in case of regridding, undeformed configuration is written out correctly. Restart improve by reading in additional data from converged step.
2012-07-24 12:21:41 +00:00
c4c00f04f4
no dipole formation by stress decrease;
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dipole dissociation rate proportional to "deltaDipoleLimit / oldDipoleLimit", not "deltaDipoleLimit / newDipoleLimit"
2012-07-24 06:57:37 +00:00
3d59fec305
further modularisation of spectral solver (only for basic scheme so far)
2012-07-23 10:12:31 +00:00
bd9e81fbec
intermediate, not working state of new solver structure
2012-07-20 15:33:13 +00:00
ad3f9d8050
removed old standalone AL solver and introduced new structure for solver zoo
2012-07-19 17:24:56 +00:00
7d4ff278cb
worked on the restart capabilities
2012-07-19 14:16:59 +00:00
13caf2d389
made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
2012-07-18 18:39:59 +00:00
a22163c2ae
reverted unwanted commit of Makefile
2012-07-18 12:34:46 +00:00
95d292b286
2012-07-18 12:31:07 +00:00
7c6fc121fd
condensed error reporting for constitutive_XYZ_init
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removed erroneous check for structure>3
2012-07-17 17:36:24 +00:00
0fdd43b54b
minor clarification of file content and its use
2012-07-05 10:02:20 +00:00
4d09ef0648
changed variable name "debug_what" to "debug_level"
2012-07-05 09:54:50 +00:00
b69f446caa
added constitutive_none
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added wrongly deleted "endif" statements
removed tmglib and refblas from linker command for lapack (Koen??)
xxxROOT is changed by setup_code unless commented-out... So had to delete '#' again.
2012-07-03 13:59:38 +00:00
aeb1e18268
passing of multiple make options possible now
2012-07-03 13:57:05 +00:00
7f10ab0996
corrected to consistent naming: "IMKL"
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restored xxxROOT to commented-out auto entries.
commented-out currently unused PETSC parts.
added "refblas" and "tmglib" to LAPACK library inclusion (seems to be necessary since 3.2.1).
2012-07-03 12:36:54 +00:00
823013d485
new plasticity: none
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see material.config for necessary parameters (lattice_structure, elastic constants)
2012-07-03 11:16:38 +00:00
b4103b205d
parts of the material.config can now be set to echo their content back into the log-file (i.e. STDOUT / unit 6)
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use keyword "/echo/" before first section in the respective parts that you want to see echoed back into the log file.
2012-06-26 10:24:54 +00:00
767842acbf
now real time monitoring of DAMASK_spectral output to screen
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working with GNU Fortran as well (new checking for return code)
2012-06-25 09:03:19 +00:00
0606845f15
reordered calculation of current stiffness to enable restarting with different resolution
2012-06-22 09:20:23 +00:00
bd462d12c6
fixed some bugs in the regridding routine
2012-06-20 18:33:20 +00:00
d650972904
corrected some bugs concerning the regridding
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prevented FEsolving from potentially write to a none existing file
started to introduce petsc into the make chain (nothing happens if PETSC_DIR is not set)
2012-06-20 12:49:46 +00:00
f5eb8fcb25
fixed bug caused by the inconsistent sequence of slip and twin systems
2012-06-19 16:06:25 +00:00
481268c8c2
fixed closing of file (unit 222) statement in FEsolving.f90
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added missing keyword in mesh.f90 with ifndef Spectral statement (needed for Marc and Abaqus)
2012-06-19 14:33:24 +00:00
06be437bc9
added minRes to regridding function and writing out of new geometry file
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updated f2py wrapper to enable the use of init functions.
added 2 new error messages to io
2012-06-19 13:31:15 +00:00
8537e87b7e
added shell scripts to run tests from crontab, improved numbering in spectral compile tests and added some first files for testing restart capabilities of spectral solver.
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added configuration file for generation of code documentation using doxygen
restart of spectral solver is fixed and seem to work now also for restart at significant deformation.
spectral solver now gives exit code 2 if some increments did not converge
2012-06-18 15:27:01 +00:00
d9c6f9e134
switch on restartRead logical when requested by "--restart" cmdline switch
2012-06-18 09:27:36 +00:00
380f40561b
first calculation of Tstar still used hard coded Hooke, now usese constitutive_TandItsTangent(...)
2012-06-18 07:26:34 +00:00
b2fd3e1180
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only.
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Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver.
Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile.
Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 16:10:21 +00:00
eb39d332bd
ULTRA OPTIMIZATION wasnt working anymore, seems to be related to Bertholds update of ws12 and ws13. had to remove -static from optimization string to be able to link again. Added some support for IKLM, but this didn't solve the problem
2012-06-13 17:19:16 +00:00
3ef17c208b
set default lapack to lapack instead of acml, added definition of makro for spectral solver for later use in preprocessor
2012-06-13 13:45:58 +00:00
052b526bde
made compilation of spectral code a command line switch and removed interactive question
2012-06-13 13:42:00 +00:00
7754416b35
now both getSolverJobName and getSolverWorkingDirectoryName use unit 5!
2012-06-13 09:58:06 +00:00
d3d0cfdab1
common blocks from 2012
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updated setup to also create DAMASK_marc2012.f90
2012-06-13 07:30:27 +00:00
a5c27f22ca
now uses unit 5 for file name inquiery (unit 6 points to stdout in 2012, might be a bug though)
2012-06-13 07:28:43 +00:00
5b7f2e122e
fixed usage of OpenMP function library
2012-06-12 09:44:05 +00:00
fc7b4d6471
new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy
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deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
2012-06-06 15:11:30 +00:00
fa7f9866df
removed phase contrast/preconditioning
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added information on itmin in output, impoved output
set exit code to 0 on successful termination (seems to be unix standard)
exit codes:
0: successful termination
1: error (using IO_error)
2: require regrid
updated the AL solver, still VERY experimental
2012-06-05 16:34:20 +00:00
4b6800b89a
removed some unwanted open statements when writing out the sizeState
2012-06-05 13:13:33 +00:00
01522cf6f2
check for valid elasticity model
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improved error message in case of unknown elaticity/plasticity model
2012-06-02 14:23:28 +00:00
3af9165b08
useless debugging inforomation (asking for elastic moduli output) is removed
2012-05-31 09:25:04 +00:00
145d971d7e
added some debug output
2012-05-30 08:05:36 +00:00
5cc73a15a9
small correction in debug output
2012-05-30 07:41:22 +00:00
0127828f70
corrected initialization order
2012-05-29 15:08:18 +00:00
e1c5671e1f
relaxed error message triggering such that purely elastic calculations and more than one constitutive instance using hex lattice are possible. no twinning possible if no slip system exists
2012-05-24 14:08:48 +00:00
1003cfa7f8
added missing space in makefile, made removing of old files in Makefile silent and updated files for tests to current versions
2012-05-23 18:08:34 +00:00
c607441717
(likely) fixed a bug in the FFT-based geometry reconstruction. For (hopefully) correct math see Appendix B in paper.
2012-05-22 18:35:15 +00:00
bbf790a0a5
Input parameter 'QedgePerSbSystem' which denotes activation energy for each shear band system is added
2012-05-22 16:10:28 +00:00
9201133913
activated keyword expansion
2012-05-22 12:45:37 +00:00
cec3357e8f
corrected bug causing wrong element construction when using spectral solver. Also improved error messages for invalid resolution, dimension, and homogenization.
2012-05-21 09:06:02 +00:00
20f203f799
allow minimum stable dipole height equal to zero; ensure that maximum stable dipole height is not smaller than the minimum value
2012-05-20 13:57:35 +00:00
5b02d4e8eb
dipole dissociation and formation by change in stress as new mechanism in deltaState; had to add dipole height to state variables, which is however updated by deltaState instead of microstructure; alternatively microstructure had to know the current stress state
2012-05-18 14:35:52 +00:00
4da6907648
moved remobilization of dead dislocations from dotState to deltaState
2012-05-18 13:35:44 +00:00
a5c1624648
check for invalid mesh type once in constitutive_init and not every time constitutive_nonlocal_dotState is called
2012-05-18 13:15:23 +00:00
8c849d62ee
small corrections for how to treat the new deltaState in FPI and euler integration; all integrators successfully tested with j2
2012-05-18 13:00:15 +00:00
abbae76c51
instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
2012-05-17 15:25:21 +00:00
351c2c6e65
deltaState depends on the current state, no the state at the beginning of the timestep
2012-05-17 12:18:30 +00:00
f6d5efeed3
removed arguments Fe and Fp from collectDeltaState function call
2012-05-17 11:04:22 +00:00
a54439e3b5
dotState does not have to be reset to zero. this is a remnant from older versions when the dotState for the nonlocal model used to be updated by the neighboring integration point
2012-05-16 15:35:14 +00:00
84d4652a07
all constitutive modules now contain a new function "deltaState", which in the future allows to have an instantaneous and incremental change of the state (additional to the rate based evolution with dotState).
2012-05-16 14:43:26 +00:00
df2d520630
stripping abaqus comments is now aware of damask comments
2012-05-15 14:59:26 +00:00
701cf2e71b
replaced duplicated math entry by missing mesh entry
2012-05-15 14:58:47 +00:00
0d745adfa0
corrected NaN in prec_single.f90 (was already silent but with typo), polished output and added switch in order to check range on all files except of prec.f90 (in which NaN is defined)
2012-05-11 12:46:17 +00:00
7ee368f324
check whether there is any constitutive output
2012-05-11 07:38:20 +00:00
f8f9c089d6
check for NaN in math_QuaternionInSST
2012-05-11 07:37:32 +00:00
babf2647fb
use non signaling version of NaN
2012-05-11 07:35:52 +00:00
ce83026965
corrected bug in fft based geometry reconstruction causing mirrored geometries
2012-05-09 14:56:25 +00:00
d11aa15a67
changed indices counting (fortran to python style, easier division to get rid of periodic copies)
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corrected f2py pyf file
2012-05-09 10:09:56 +00:00
fbd075dc6e
corrected automatic determination of resolution
2012-05-08 15:12:43 +00:00
c752dd5474
regridding is now working, changed the subroutine into a function
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changed order of arrays in nearest neighbor search to make it fortran fast
constitutive.f90 and homogenization.f90 write state size out during initialization
setup/setup_processing.py is using byterecl to be compatible with binary files written out by solver
2012-05-08 14:57:06 +00:00
a9a72cee97
fixed bug in nearest neighbor search, corrected error message for kdtree2.f90
2012-05-08 13:16:59 +00:00
eb8265b914
fixed potential division by zero error discovered by our American friends
2012-05-08 07:16:00 +00:00
bdc46a8828
using better measure (norm) of phase contrast for preconditioning
2012-05-07 08:12:13 +00:00
4b18278781
reworked neares neigbor search subroutine, now also works for voronoi tesselation (general nn search in periodic cell)
2012-05-04 13:07:37 +00:00
863f0c766e
removed line continuation causing trouble
2012-05-04 08:19:12 +00:00
b4775249e8
corrected standard check to make f2py working with gfortran
2012-05-03 17:12:36 +00:00
26c6063a2c
utf8 encoding output to screen now for all solvers using intel ifort>10 or any gfortran (old versions might not support it, but we don't use them anyway)
2012-04-28 10:46:41 +00:00
dbeac18df6
no more dropping of comments in Abaqus input file assembly
2012-04-27 14:33:39 +00:00
83e89fba3c
improved regridding, especially interfacing to python (also for nearest neighbor search)
2012-04-24 17:02:27 +00:00
e33c34d86b
corrected wrong integer arithmetics in calculation of coordinates in DAMASK_spectral.f90
2012-04-24 16:59:38 +00:00
83e22c00a2
added missing allocation of slopeLnRate array.
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changed parsing to lowercase name.
2012-04-20 12:18:38 +00:00
d2c4874db3
several small corrections/polishing
2012-04-20 11:58:41 +00:00
c889d20ba0
added simple preconditioning to improve convergence for high phase contrast materials in standard algorithm
2012-04-20 09:42:57 +00:00
caff3124fd
changed multiplier keyword from "times" to "copies of" to prevent ambiguity.
2012-04-17 10:05:49 +00:00
dbc5a3a3ce
subnodeparent check is now running only over actual number (not max) of parent nodes...
2012-04-17 09:19:44 +00:00
f905a97cdf
fixed bug (causing sigsev) concerning new functions mesh_spectral_get***
2012-04-12 08:03:08 +00:00
8c559cbdc9
fixed bug concerning file handling.
2012-04-11 18:46:36 +00:00
37fa6c2e14
merged code for python and spectral solver interfacing (shared most of it anyway).
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put functionality for getting header information (dimension, homogenization, resolution) in functions in mesh.f90
2012-04-11 17:28:08 +00:00
a18e5e48dc
added 'times' keyword in function for continuous int values: "4 times 1 => 1 1 1 1", mainly for geom files of spectral solver.
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corrected name for contin"U"ousIntValues functions
2012-04-11 17:24:50 +00:00
91cfd21c88
corrected some copy and paste errors
2012-04-11 14:12:30 +00:00
9a92d343dc
added Onurs modified description for tausat in j2 law.
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Polishing phenopowerlaw
2012-04-11 14:01:02 +00:00
f2da887899
added missing ":" in mesh.f90, introduced absolute stress tolerance for spectral solver in numerics.config/numerics.f90
2012-04-11 12:57:25 +00:00
f20cecd421
integrated subroutine for regridding into mesh.f90 and made it available for python
2012-04-10 15:15:46 +00:00
d638c563af
reworked python - fortran interfacing
2012-04-10 13:30:34 +00:00
b17740c9c3
corrected misplaced line for linear guessing
2012-04-06 14:23:06 +00:00
79592d2f0f
get debug info for spectral solver as well
2012-04-05 09:17:09 +00:00
990f547091
improved AL solver, now using guesses for P(x) to improve performance. Changes (and whole solver) still experimental
2012-03-31 12:41:46 +00:00
91a70b0fb3
before turning terminally ill report at which g,i,e crystallite did not converge
2012-03-30 13:16:45 +00:00
c29ae95af7
new version of AL spectral solver (seems to work, but still experimental)
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new concept of DAMASK for Python: Now using also IO.f90, debug.f90 etc. instead of mimicing their necessary function. This needs DAMASK_python.f90 and DAMASK_python_interface.f90 (At the moment more or less copies of respective spectral files).
polished and renamed the scripts for converging ang files
renamed voronoi_randomSeeding.py to spectral_randomSeeding.py
2012-03-29 19:54:31 +00:00
17826d7c98
now initializing planner flag for fftw with useful value even if init wasn't executed
2012-03-26 10:03:39 +00:00
7947ae36b3
changed default value of err_div_tol
2012-03-22 10:33:54 +00:00
00de182873
corrected if statement to check assembly of input files
2012-03-22 07:44:46 +00:00
44d8282863
corrected reading in of ABAQUS debug modes and made numbering scheme for debugging depending on variables hoping to prevent these errors in debug.f90
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Put all (now public) logicals in FEsolving.f90 again into one specification statement
2012-03-21 18:04:52 +00:00
15dd860de9
new switch "SOLVER", set it to SOLVER=AL to compile the Augmented Lagrange version of the spectral solver
2012-03-21 18:01:25 +00:00
131c9ac93e
dPdF calculations made consistent with constitutive_TandItsTangent
2012-03-21 15:00:36 +00:00
8a2f2c5a95
stress iteration loop now uses generalized elasticity by calling TandItsTangent
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the anlalytical tangent calculation should now be adopted to also use TandItsTangent
2012-03-21 10:57:27 +00:00
8d8a8103eb
lastIncConverged, outdatedByNewInc, and cutBack need to be public as well!
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please keep in mind the FEM interfaces which also need to work!!!
2012-03-21 07:51:07 +00:00
dbdc7ddfa2
debug.config, debug.f90, DAMASK_abaqus_exp.f, DAMASK_abaqus_std.f: changed to new debug scheme (wasn't working)
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lattice.f90, FEsolving.f90: explicitly defined public functions and variables, all others are now private
numerics.f90: changed output format of real numbers, now instead of 0.1eX 1.0e(X-1) is printed to screen
Makefile: now using correct Optimization flags for OPTIMIZATION=AGGRESSIVE
DAMASK_spectral_AL.f90: improved, but still testing. Stress BCs now seem to be handled correctly
2012-03-20 18:01:31 +00:00
04d83ec9cd
added "-assume byterecl" in Makefile for ifortran to specify with "recl=" the size of the file in bytes instead of 4byte chunk when opening files. (same as in gfortran per default).
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no important changes in other files
2012-03-20 12:26:21 +00:00
012d568cf8
slightly restructured divergence debug output
2012-03-19 16:41:55 +00:00
632d57cc31
corrected div calculation regarding dimension and resolution
2012-03-19 13:19:15 +00:00
5263366615
adding switch in material.config for short range stress correction
2012-03-15 14:58:12 +00:00
7330031579
corrected special treatment of periodic images in calculation of stress correction
2012-03-15 10:08:08 +00:00
d4463fe56a
shifted location of elasticity part closer to plasticity... (constitutive has been shaken back and forth quite a bit today ;-] )
2012-03-15 09:51:33 +00:00
ea634d978a
adapted comments to recent change
2012-03-15 09:47:32 +00:00
b7fc4fe6e4
fixed one last typo, now it finally compiles, sorry for this!
2012-03-15 09:42:33 +00:00
4d90d90886
last comment also holds for this one
2012-03-15 09:25:15 +00:00
70a44fbbdd
constitutive models need to skip new keyword elasticity when reading their arameters
2012-03-15 09:22:24 +00:00
503f6ed040
i think it's elasticity not elaticity, right?
2012-03-15 08:46:51 +00:00
36edb4dd9f
introduced keyword elasticity in material.config
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added constitutive_TandItsTangent and special version constitutive_hooke_TandItsTangent
those are however not yet used and need to be tested
2012-03-14 16:16:11 +00:00
9cbbb7cab5
Dead dislocations are treated the same as mobile dislocations for the flux part though they do not contribute to slip. By that the pileup of dead dislocations is able to diminish with time (kinetics are the same as for the glide part; this is not correct but gives valuable results). Also remobilization of dead dislocations at neighbor is taken into account for flux.
2012-03-14 15:32:50 +00:00
6bca2150f2
local stress correction of gradient in dead dislocations and neighboring excess density is additive
2012-03-14 15:24:19 +00:00
06c93435f2
viscosity term in kinetics law proportional to resolvedstress minus forest term
2012-03-14 15:18:36 +00:00
c2f5cebacb
simplified analytic jacobian calculation. removed Lpfrac, time_sensitive. introduced rate_sensitivity flag when calling crystallite_stressAndItsTangent that is currently set to .false. and is to be set according to which dPdF the FE solver is asking for
2012-03-14 13:56:50 +00:00
2b5ed4ab93
corrected name of makefile (first letter upper case)
2012-03-14 11:58:05 +00:00
d2652cae47
multiplication only controlled by screws
2012-03-13 14:19:36 +00:00
433d8a338c
missed several occurences of constitution
2012-03-12 14:43:19 +00:00
c9ed989dad
replaced keyword constitution with plasticity in preparation of upcomming generalized elasticity
2012-03-12 14:09:37 +00:00
efd653fb00
removed old *.output* and *.spectralOut as they are not updated anyway from reference.
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introduced a numbering scheme for variants
calculated new reference results due to slight changes
2012-03-09 16:30:42 +00:00
ac5dd14c5f
removed some small bugs in IO.f90 (related to initialization of variables)
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DAMASK_spectral.f90 adopted to new debug scheme, substituted print with write statements
2012-03-09 15:22:52 +00:00
bd9667bd4b
added new, flexible debugging scheme.
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now all modules have their own debug specification.
compiles and runs, I hope nothing is broken
did a lot of polishing
2012-03-08 20:25:28 +00:00
dec9451b1e
first draft of the Augmented Lagrangian based algorithm, still experimental
2012-03-07 17:37:40 +00:00
2a7888c7e1
removed (in IO.f90) a dangerous initialization statement.
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Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4
for more details.
Other files are just a little bit polished
2012-03-07 10:07:29 +00:00
d00c3c9e19
added error for to IO to substitute stop statement in kdtree2
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explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 14:52:48 +00:00
17e9698659
added time_sensitive flag to ignore or add time sensitive component to analytic jacobian (should be close to perturbed jacobian when ignored)
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now uses sub_dt for analytic jacobian calculations
bug fixes
2012-03-01 19:42:43 +00:00
df03dee91c
improved readability, removed archive statements. With new option FASTBUILD=YES build without any warnings etc
2012-03-01 19:34:42 +00:00
211f66a728
added elastic stiffness matrix as crystallite output
2012-03-01 13:06:09 +00:00
040e244993
Added stress-order terms to analytic stiffness
2012-02-27 17:40:28 +00:00
99d6dcecb5
fixed bug in calculation of analytic jacobian (should work much better now). parallelized analytic jacobian calculation loop
2012-02-24 14:07:46 +00:00
f2ee67d03d
disabled multi file optimization when setting OPTIMIZATION=OFF and improved comments on compiler switches
2012-02-24 13:38:15 +00:00
1042ac018f
output values used for Lp_frac and analyticJaco
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improved comment for Lp_frac on numerics.config
2012-02-24 08:21:18 +00:00
478a6d110c
mixed things up, did not want to commit constitutive_nonlocal.f90 but rather DAMASK_spectral.f90!!!!
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did a lot of polishing on constitutive_nonlocal.f90 (mostly checked in at last commit), for changes on DAMASK_spectral.f90 see previous message
2012-02-23 17:20:57 +00:00
a98832100f
introduced itmin parameter for spectral code for defining minimum number of cycles
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removed simplified_algorthim flag because the basic scheme using the polarization field will not be implemented
introduced divergence_correction flag for making divergence criterion resolution-independent (still experimental and not set by default)
corrected output and restart frequency (now modulo on incs of current load case)
2012-02-23 16:43:17 +00:00
989a2b2d39
added default entries for Lp_frac and analyticJaco
2012-02-23 10:53:15 +00:00
28d654d61e
forgot to remove some print statements in previous commit
2012-02-22 20:22:54 +00:00
b9a82156c9
crystallite.f90: can now calculate analytic jacobian by setting analyticJaco = 1 in numerics.config
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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.
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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 ;-)
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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.)
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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.
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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
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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
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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.
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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):
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- 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
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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.
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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
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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
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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
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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
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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.
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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
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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)
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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')
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For instance:
1 2 3 4
5 6 7 8
9 10 11 12
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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.
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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
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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.
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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:
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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.
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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)
...
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
...
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
...
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
...
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
...
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
...
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.
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* 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
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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
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" 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:
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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)
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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).
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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.
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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
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* 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.
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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
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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)
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* 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"
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* 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
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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
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* 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).
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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
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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.
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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.
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* 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
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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"
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* 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
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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
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* 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,:)...
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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...)
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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
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slight changes on mpie_spectral.f90 regarding file output
2011-01-12 17:02:42 +00:00
062c6b3d54
* allow zero cutoff radius
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* 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)
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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!
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Now at musvn1:/home/svn/repos/cpfem
2011-01-05 16:11:51 +00:00
096a4803b0
some polishing concerning openMP initialization
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number of threads is now written to *.out file
2010-12-02 11:04:29 +00:00
36f27edd75
1. Adding more comments
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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
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* 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):
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* 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
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* 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.
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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:
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* 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).
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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)
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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"
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* 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"
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* 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.
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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.
...
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
...
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
...
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
ac080e0b52
corrected small mistake in calculation for ip center of gravity / ip coordinates; used to ignore subnodes that had coordinates (0.0, 0.0, 0.0)
2009-12-22 13:23:20 +00:00
043356e8a9
homogenization_RGC.f90 >> just switching-off one of the debugging statement.
...
crystallite.f90 >> optimizing the perturbation algorithm for local tangent.
2009-12-22 12:28:02 +00:00
1f7aebfa4d
new subroutine crystallite_orientations: calculates the orientation matrix and the euler angles and - in case of single grain ips - the misorientation for each neighboring ip.
...
The calculation of the misorientation is now done once in crystallite init and at the end of every FE increment. This saves a lot of time compared to doing it in dotState for every crystallite subinc.
2009-12-18 15:46:33 +00:00
3ab5cdc770
Additional feature to the RGC scheme: The volumetric consistency constraint. This is implemented by penalizing any volumetric discrepancy which occurs due to severe relaxation. The penalty for volume inconsistency is described using a power-law model. The setting for this function can be done in the numerics.config via three new parameters, i.e., maxvoldiscrepancy_RGC, voldiscrepancymod_RGC and discrepancypower_RGC. For monintoring, an extra output variable in prescribed in the material.config in the RGC section, namely "(output) volumediscrepancy".
...
IO.f90 and numerics.f90 has been modified accordingly to accommodate these changes
2009-12-16 16:20:53 +00:00
39d1932e2b
corrected line parsing now counts all parts
2009-12-15 16:03:53 +00:00
01b7e88e5f
adapted the material.config file to last changes in constitutive_nonlocal
2009-12-15 10:22:17 +00:00
26e9056f90
added stiffness state loop counter to nonlocal stiffness calculation
2009-12-15 09:03:04 +00:00
d784153e0c
constitutive_nonlocal:
...
- corrected flux term
- multiplication is now aware of dislocation type
- corrected change rate for "dipole size" dupper
- corrected term for dipole dissociation by stress change
- added transmissivity term in fluxes which accounts for misorientation between two neighboring grains (yet hardcoded transmissivity according to misorientation angle)
- added more output variables
constitutive:
- 2 additional variables "previousDotState" and "previousDotState2", which are used to store the previous and second previous dotState (used in crystallite for acceleration/stabilization of state integration)
- timer for dotState now measures the time for calls to constitutive_ collectState (used to reside in crystallite_updateState, which is not critical in terms of calculation time anymore)
crystallite:
- convergence check for nonlocal elments is now done at end of crystallite loop, not at the beginning; we simple set all elements to not converged if there is at least one nonlocal element that did not converge
- need call to microstructure before first call to collect dotState for dependent states
- stiffness calculation (jacobian): if there are nonlocal elements, we also have to consider changes in our neighborhood's states; so for every perturbed component in a single ip, we have to loop over all elements; since this is extremely time-consuming, we just perturb one component per cycle, starting with the one that changes the most during regular time step.
- updateState gets a damping prefactor for our dotState that helps to improve convergence; prefactor is calculated according to change of dotState
IO:
- additional warning message for unknown crystal symmetry
2009-12-15 08:20:31 +00:00
07303d9506
- corrected math_misorientation subroutine
2009-12-15 07:34:53 +00:00
596b7f3727
- rearranged array with symmetry operations
...
- new subroutine "math_misorientation" which calculates misorientations (based on old subroutine "misorientation", which was not used previously)
- rendered some functions pure
2009-12-14 11:02:10 +00:00
cad278c3bc
Introduce a randomness in the odd stress, using pre-factor rnd.
2009-12-09 10:33:00 +00:00
9b1b612f67
added some examples
2009-12-08 15:31:50 +00:00
1bf3b978eb
modifying the criteria for the sum of microstructure fraction.
...
previously was:
if (the_sum /= 1.0_pReal) then (error 170)
this condition is too strict. it may give problem with some numerical truncation error.
now becomes:
if (abs(the_sum - 1.0_pReal) >= 1.0e-10_pReal) then (error 170)
2009-12-02 13:08:14 +00:00
59d22d47b2
introduction of a possibility to have homogeneous element (all ips in one element are identical, sort of reduced integration)
...
and bugs-fixing in crystallite.f90, homogenization_RGC.f90, numerics.f90.
2009-11-24 15:00:25 +00:00
6702cb3baa
Introduction of a numerical viscosity into the RGC scheme to improve the convergent behavior and the numerical stability of the scheme (see: homogenization_RGC.f90). These changes have been incorporated in all related subroutines (homogenization.f90, IO.f90, numerics.config and numerics.f90).
2009-11-17 13:42:38 +00:00
cb88019aa6
introduced a flexibility in cut-backing scheme in homogenization.f90 and in crystallite.f90:
...
(1) subStepSizeHomog and subStepSizeCryst := size of substep when cut-back is applied (initially was hard-coded).
(2) stepIncreaseHomog and stepIncreaseCryst := step increase when calculation for substep converge (was also hardcoded).
introduced a possibility to choose different finite difference scheme, i.e., forward-, backward- and central-difference, for computing grain numerical tangent. note that central-difference scheme will slow down the computation significantly. please use it only if necessary.
parameters to set these new features have been included in numerics.f90 and numerics.config, whereas corresponding error messages have been introduced in the IO.f90
2009-11-10 13:36:27 +00:00
67f87486b1
in constitutive_dislotwin.f90:
...
in constitutive_nonlocal.f90:
Derivatives of shear rates w.r.t. resolved shear stress HAVE to be positive.
Computation of dgdot_dtauslip is now correct.
2009-11-06 17:46:12 +00:00
f96f9332cf
added some comments and made sure that texture distribution among a large number of IPs is statistically sound.
2009-11-02 08:03:14 +00:00
8f40c516bb
added to the previous one
2009-10-30 10:00:17 +00:00
2068346f6d
just small changes in the 'default' value of RGC numerical parameters.
2009-10-30 09:54:52 +00:00
1e5a0318f3
don't do any cutbacks in homogenization when my materialpoint consists of only one grain.
2009-10-27 08:31:45 +00:00
c766ba2e3a
minimum substepping size in homogenization and crystallite is now controlled by two independent parameters subStepMinHomog and subStepMinCryst respectively.
...
deleted flush statements where they are not needed, since they seriously slow down computation.
2009-10-26 16:43:43 +00:00
f50d3291f9
sorry, back to the previous version. grain deformation output is part of crystallite.f90, no longer done by homogenization. material.config reflects the changes.
2009-10-22 16:59:24 +00:00
d344aaf3a0
added possibility to output individual grain deformation gradient in homogenization_RGC.f90 and the homogenization.f90 has been modified accordingly. see material.config for the key-words to output the individual grain deformation gradient in the homogenization block.
2009-10-22 09:24:05 +00:00
1dcb80753c
tidying up code and reversing order in debug timing output
2009-10-22 09:14:17 +00:00
67f4bdfaa0
volume fraction where new twins may form is now limited to (1-F) instead of 1...
...
"relevantResistance" is set to 1 Pa as default
2009-10-22 08:58:14 +00:00
5d01e30f77
deleted debugging statements that print out interaction/hardening matrixes
2009-10-21 13:41:49 +00:00
5d5e7eb8f8
corrected uncritical mix-up of Ntwin and Nslip in reshaping fcc interaction (slip--twin)
2009-10-21 13:41:09 +00:00
4e98935287
changed lattice_interaction matrices to (other:me) notation
...
fixed small mistake in hexagonal twin--slip interaction matrix
adopted above switched notation for hardening matrix calculation
shortened dotState by introducing dot_product notation
2009-10-21 13:10:12 +00:00
9892fd9a10
sorry: initialization of periodicBC was erroneous
2009-10-20 16:38:05 +00:00
e1586d5059
fixed (probably severe) bug in hexagonal twin system transformation into ortho-hexagonal coordinates.
...
cleaning up of twin system nomenclature
introduced lookup mechanism to calculate the twinning shears depending on the c/a ratio of the present structure (was [wrongly!!] hardcoded to Titanium)
2009-10-20 16:13:25 +00:00
c1ee34d235
constitutive_nonlocal:
...
- read in activation energy for dislocation glide from material.config
- changed naming of dDipMin/Max to dLower/dUpper
- added new outputs: rho_dot, rho_dot_dip, rho_dot_gen, rho_dot_sgl2dip, rho_dot_dip2sgl, rho_dot_ann_ath, rho_dot_ann_the, rho_dot_flux, d_upper_edge, d_upper_screw, d_upper_dot_edge, d_upper_dot_screw
- poisson's ratio is now calculated from elastic constants
- microstrucutre has state as first argument, since this is our output variable
- periodic boundary conditions are taken into account for fluxes and internal stresses. for the moment, flag has to be set in constitutive_nonlocal.
- corrected calculation for dipole formation by glide
- added terms for dipole formation/annihilation by stress decrease/increase
constitutive:
- passing of arguments is adapted for constitutive_nonlocal model
crystallite:
- in stiffness calculation: call to collect_dotState used wrong arguments
- crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults
homogenization:
- crystallite_postResults uses own Tstar_v and temperature, no need for passing them from materialpoint_postResults
IO:
- changed error message 229
material.config:
- changed example for nonlocal constitution according to constitutive_nonlocal
all:
- added some flush statements
2009-10-20 14:36:03 +00:00
48e642bb15
twin resistance evolution did not use magnitude of shear rate (dot gamma) but the signed quantity... leads to non-physical oscillations of twin resistance.
2009-10-20 12:15:37 +00:00
7914f80931
stiffness calculation for structure > 3 was missing: "case(3)" --> now "case(3:)" as in all other constitutive_xyz..!
2009-10-19 14:47:52 +00:00
a94e551c5f
absolute tolerance was just fine -- residuum is in Lp not in stress. Hence, unit is strain and not Pa...
2009-10-19 12:53:56 +00:00
ba27947142
material point now cuts back by 1/8
...
crystallite does not accelerate anymore, since, typically, longer step immediately fails and uses resources in vain. (future: remember number of successful steps to increase step size after x of those...)
2009-10-19 12:50:59 +00:00
b5fc0a9769
small rearrangement of cutback dealings. may give minute speed improvement...
2009-10-19 12:46:02 +00:00
5a5d461a30
changed abs tolerance in stress loop to 1 Pa (from 1e-8 Pa ..?)
2009-10-19 12:44:20 +00:00
992077e88e
fixed cut back issue with Marc. Necessity to introduce compMode 7 to capture tangent restoration at lovl=4 call.
2009-10-17 09:25:36 +00:00
974116808b
fixed a potential memory leak for hexagonal structures. added some status output to constitutive_xx
2009-10-15 20:02:52 +00:00
7f84961c93
less debug clutter...
2009-10-14 13:23:52 +00:00
c3cb72d356
put some comments to hybridIA
2009-10-14 13:21:03 +00:00
00450b2c16
Added constraint on the dipole distance
...
if dipole distance > dislocation mean free distance then
dipole distance = dislocation mean free distance
2009-10-13 18:14:44 +00:00
3bf3d7ddbd
New version of constitutive_dislotwin after first-round checks
2009-10-13 15:05:21 +00:00
2c1a610b14
removed Koen's loading subroutine from abaqus interface
2009-10-13 06:55:15 +00:00
0a34da292e
# no need for materialpoint_results in hypela2
...
# homogenization updated to be compatible with abaqus interface
2009-10-12 17:01:42 +00:00
ca1c61bf98
Changed constitutive_dislobased into constitutive_dislotwin
2009-10-12 16:44:17 +00:00
8b66b8def2
# small remark to set "-free" switch for compile
...
# rename to Abaqus-compatible ".f" extension
2009-10-12 16:32:57 +00:00
7d05845d5d
# now $ID aware
...
# LF as line separation and some tidy up
2009-10-12 16:26:16 +00:00
2c06cad4d0
now $ID aware
2009-10-12 16:25:48 +00:00
21cad32137
# new interface for Abaqus
...
# IO has some additional functionality for Abaqus parsing
# ping pong scheme in FE interface now similar (and more human understandable) in both versions
# mesh has better splitting of different tasks, plus operation on database whenever possible
# FEsolver as new global var to indicate FEM solver type
# computation mode reshuffling: 6 is now Marc special case of recycling...
2009-10-12 16:01:49 +00:00
02602144d2
can now be executed from different directories...but will operate on "its" one
2009-10-12 14:18:54 +00:00
3f41b271fb
The new dislocation model is now implemented in constitutive_dislotwin.f90
...
(seems to run fine, but still under investigation)
2009-10-09 20:28:23 +00:00
4ff497e5ba
mesh_build_sharedElems does not need an input argument anymore
2009-10-08 09:23:15 +00:00
e7247551f0
changed "build_sharedElements" to use (then existing) internal element data structure instead of reading again from the input file. The data structure is already established by "build_elements"...
2009-10-08 09:01:59 +00:00
bb8a71557b
Added comment on FCC different interaction types
...
1 --> self
2 --> coplanar
3 --> collinear
4 --> Hirth locks
5 --> glissile junctions
6 --> Lomer locks
2009-10-07 17:00:35 +00:00
9b3a59646a
constitutive_nonlocal
...
- take orientation gradients into account when calculating dislocation stress and dislocation fluxes
- hard coded value for nu
- changed kinetics (parameter G0 is currently defined as a parameter, needs to be read from material.config)
- added some output statements
constitutive:
- some functions and subroutines needed additional input variables for passing to constitutive_nonlocal
crystallite:
- some functions and subroutines needed additional input variables for passing to constitutive
- call microstructure with current temperature, Fp, Fe, not "sub0" values
- show number of IPs, that are "onTrack" instead of those not "onTrack"
- calculate Fe at beginning of substep, since we need it for state preguess
2009-10-07 15:31:52 +00:00
cc6aa1aeba
Updated constitutive_dislotwin
...
Deleted constitutive_dislobased
2009-10-06 15:19:19 +00:00
bc5a408c1a
Changed constitutive_dislobased into constitutive_dislotwin:
...
in constitutive.90
in constitutive_dislotwin.f90
in mpie_cpfem_marc.f90
2009-10-06 15:16:03 +00:00
c5865bb7ec
corrected calculation of dTdLp
2009-10-02 06:40:12 +00:00
c67412c36b
added missing constitutive outputs for nonlocal law
2009-10-01 16:31:06 +00:00
b09b2b17f3
convergence of state in crystallite is now tested as follows:
...
(state < relevant state) or (residuum < relative tolerance * state)
since the relevant value for the state variables depend on their nature and can vary by large scales (e.g. volume fraction: 1e-10, dislocation density: 1e5) it is not possible to set a unique value. instead the constitutive law has to decide what is relevant. therefore, all constitutive laws now read in parameters from the material.config that determine the values for relevantState [@luc: in dislobased law relevant State is for the moment generally set to 1e-200, so no additional parameters necessary in material.config. if you also want this feature, we can still implement it, no big deal]
- added sanity checks in constitutive_nonlocal.f90
- corrected coordinate transformation for backstress calculation in constitutive_nonlocal.f90
- corrected equations for evolution of dipole dislocation densities (athermal annihilation and formation by glide)
2009-09-18 15:37:14 +00:00
ec524a1dd2
homogenization_RGC.f90
...
>> Fixing problems related to the size of homogenization_RGC_state vector.
2009-09-07 15:28:32 +00:00
5f7e5b8409
homogenization_RGC.f90
...
<< correction for a very stupid mistake. replacing stress P with the absolute value of stress abs(P) during convergence check. it should work upon deep-drawing.
2009-09-03 20:26:20 +00:00
a16dbe4d32
material_config: added w0_slip in [Aluminum_phenopowerlaw]
2009-08-31 15:38:09 +00:00
6d3c620e46
forgot to "use" the new init-routines
2009-08-31 15:21:15 +00:00
2029b23f98
added version information to all files
...
do NOT edit text like this:
$Id: constitutive_phenopowerlaw.f90 406 2009-08-31 14:13:10Z MPIE\f.roters $
2009-08-31 15:09:15 +00:00
bb0840ecb2
constitutive_phenopowerlaw.f90: check for non-zero w0_slip
...
IO.f90: added respecteive error message
constitutive_phenopowerlaw.f90: first test with automatic file Id
2009-08-31 14:13:10 +00:00
4357e29e07
yet another missing "then" in homogenization
2009-08-28 15:26:18 +00:00
c0d1140234
added a missing "then"
2009-08-28 15:14:27 +00:00
3ea17dd2fd
CPFEM.f90 >>> A very small, not important thing.
...
homogenization.f90 and crystallite.f90 >>> Correction in the algorithm to count the iteration distribution (for better statistics).
material.config and numerics.config >>> more collection of parameters.
2009-08-28 15:05:14 +00:00
f27d66a9ae
constitutive_nonlocal:
...
- dipole dislocations with evolution
crystallite.f90:
- collect state uses subdt and subTstar0_v
- in nonlocal modus: set all crystallites to broken if one is not on track anymore after either stress integration or state update
- constitutive_microstructure is now called inside state update and not in integrate_stress anymore
material.config:
- new parameter for nonlocal constitution
CPFEM.f90:
- age Tstar after increment was finished
2009-08-28 13:50:47 +00:00
644265381e
mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down.
...
IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90.
numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number.
math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number)
numerics.config >>> add a new parameter: "fixed_seed"
2009-08-27 15:30:40 +00:00
b25396374a
homogenization_RGC.f90 >>> adding some lines, mostly for debugging purpose. no critical change.
...
constitutive_phenopowerlaw.f90 >>> adding new parameter: constitutive_phenopowerlaw_w0_slip, i.e., the hardening rate exponent.
homogenization.f90 >>> most important change is to add an if-else statement (line 379-380) to switch crystallite_requeted = .false. for already converged material point iteration (el/ip). the rest of the changes are cosmetics and debugging stuffs.
crystallite.f90 >>> similar to homogenization.f90, the most important change is to add additional if-else statement (line 574) in the jacobian (perturbation) loop. now the jacobian calculation will only be performed when crystallite_requested = .true.. the rest is only cosmetic.
2009-08-27 12:10:06 +00:00
f70013ee9b
lattice.f90: correction of typo from the last update (Philip)
2009-08-26 09:02:22 +00:00
7720680f3a
makeMe: some polishment
...
lattice: found memory leak (lattice_interactionTwinSlip had wrong size) and added further commenting
2009-08-26 07:28:43 +00:00
1dbd0865db
constitutive_nonlocal.f90
...
- completed postResults output function
- connecting vector of neighboring material points is mapped to intermediate configuration of my neighbor
crystallite.f90
- zero out dotState only when crystallite is non-finished
- set nonfinished flag to false if crystallite is not on Track after state update
- in updateState: set onTrack flag to false if encounter NaN
- removed some old debugging outputs and added others
homogenization.f90
- in debugging mode now telling when a cutback happens
2009-08-24 08:16:01 +00:00
387195e036
that was tooo quick, now it works hopefully
2009-08-13 13:32:17 +00:00
f400cdac5b
corrected paramter check for phenopowerlaw
2009-08-13 13:27:14 +00:00
cafc39b183
replaces Nast with Nreps in hybridIA
...
formerly, if the number of orientations requested was (far) less than the number of nonzero bins in the texture representation, you only got a subset of low phi1 values..! (that is the top corner in Euler space -- Hi Bing ;-) )
2009-08-13 13:21:22 +00:00
0ef4ec27b3
there was a lonesome endif that needed a comment
2009-08-13 12:56:07 +00:00
93543c21e9
In crystallite_stressAndItsTangent:
...
state is now correctly collected during perturbation method
2009-08-13 10:04:14 +00:00
86211bf0ce
homogenization_RGC.f90: adding comments to improve clarity
2009-08-12 14:13:20 +00:00
2aae7b7574
added dislocation multiplication to dotState in constitutive_nonlocal.f90
...
cleaned up debugging output statements to *.out file
2009-08-12 11:22:02 +00:00
6171361c7e
terminallyIll was missing in the use statement
2009-08-12 08:10:28 +00:00
8ed3ddc03b
now with first draft of nonlocal constitutive law
...
debugging memory leak closed
debugging counters corrected
center of gravity stored in mesh
state updated is now split into a collecting loop and an execution
updateState and updateTemperature fill sequentially separate logicals and evaluate afterwards to converged
added 3x3 transposition function, norm for 3x1 matrix and 33x3 matrix multiplication in math
non-converged crystallite triggers materialpoint cutback (used to respond elastically)
non-converged materialpoint raises terminal illness which in turn renders whole FE increment useless by means of odd stress/stiffness and thus waits for FE cutback
2009-08-11 16:31:57 +00:00
4689966c79
correction in homogenization_RGC.f90: in the use of material module
...
homogenization_typeInstance was included two times in previous version.
2009-08-06 12:47:14 +00:00
1a7eb3158b
wrapped lines in order to ensure maximum number of allowed characters per line = 132
2009-08-03 06:37:37 +00:00
360fb069ba
List of changes/modifications:
...
* IO.f90 :: Adding error messages for RGC homogenization
* crystallite.f90 :: Modifying convergent criteria in crystalline_updateState and crystalline_updateTemperature
* material.f90 :: Adding IO_lc in homogenization_type(Name)
* debug.f90 :: Adding debbugging statement and counter for material point loop
* homogenization.f90 :: Adding homogenization_RGC blocks
* homogenization_isostrain.f90 :: Modifying argument of homogenization_isostrain_stateInit
* mpie_cpfem_marc.f90 :: Adding homogenization_RGC include
* numerics.f90 :: Adding numerical parameters for RGC scheme
* math.f90 :: Changing function name: math_permut to math_civita
2009-07-31 12:02:20 +00:00
f0729a2e52
Cosmetic changes in constitutive_dislobased.f90
...
- more precise output labels
- do changes into forall
2009-07-28 10:08:13 +00:00
1cd0b74b08
divide by 3.0 instead of 3 as it is _pReal
2009-07-27 09:23:39 +00:00
53cff7458c
polishing of constitutive output size determination in _init()
2009-07-24 15:23:45 +00:00
9bbde133a1
Updated constitutive_dislobased.90 and lattice.f90 according to the changes done in the previous release
...
- introduction of system families
- analogous structure to constitutive_phenopowerlaw.f90
- interaction types 0-1 changed into 1-2
2009-07-24 12:02:20 +00:00
97d8a321e0
some cosmetics...
2009-07-23 13:33:53 +00:00
f337847f35
quite some changes:
...
# non-greedy memory allocation
# generation of outputConstitutive to allow for script-based T16 extraction
# exchange of phenomenological by more general phenopowerlaw
# lattice is based on slip and twin families which can be treated as individual entities (switched on/off, separate hardening, etc.)
# nicer debugging output
# changed some error/warning codes
# plus potentially some minor additional brushes here and there
2009-07-22 16:07:19 +00:00
290410b3fc
Example of material.config, delivering the required information for the new version of constitutive_dislobased
2009-07-14 11:31:06 +00:00
ce515beb39
THIS IS A MAJOR UPDATE
...
The different blocks required for the twinning model are now implemented (I guess correctly...)
Keywords in the material.config are changed. Since the flow rule for twin systems remains under investigation, this part is susceptible to further changes.
2009-07-14 11:26:52 +00:00
d3343ef795
Corrected definition of vector n and d per deformation system; n is the system plane normal and d the corresponding direction
2009-07-14 11:20:35 +00:00
fe2f3e4d36
- added sanity check for temperature tolerance
...
- added temperature tolerance in numerics.config
2009-07-02 16:37:48 +00:00
1c35103524
Corrected CPFEM: assignment of constitutive_state and _state0 consistent with homogenization_Ngrains (what is actually needed), instead of homogenization_maxMgrains
2009-07-02 08:57:35 +00:00
4aed2ade80
Major Update: all modules are now correctly submitted
2009-07-01 10:55:31 +00:00
a16b8a619d
Major update: corrected treatment of temperature
2009-07-01 10:29:35 +00:00
2e783df5ed
corrected typo in the prime number function
2009-06-29 15:29:07 +00:00
a6ccfe2e44
restructured the repository: renamed trunk into code, moved documentation one directory up, therefore you can now checkout either code or documentation only if you like
2009-06-25 07:17:59 +00:00
Philip Eisenlohr