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.
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prevent updating of gamma hat in case of perfect plasticity
2010-09-24 13:27:53 +00:00
d94236b2d6
Declaration of filename etc. was missing. Fixed now.
2010-09-23 09:13:46 +00:00
83a921eec2
crystallite: polishing
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rest: added "$ID" and line ending settings...
2010-09-23 08:05:50 +00:00
a467fb4ae3
forgot "$ID" and setting line endings...
2010-09-23 08:03:00 +00:00
89136afade
debug now has config file, too
2010-09-23 08:01:41 +00:00
6ea8623f65
added functions math_mul33x3_complex math_Plain99to3333 to math.f90.
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mpie_spectral.f90 uses both functions
math_Plain99to3333 is used for inversion of c0
math_mul33x3_complex is used for equilibrium check in fourier space
also did some cleaning up on mpie_spectral.f90
2010-09-22 12:04:43 +00:00
80618c9814
Cleaned-up, rearranged state variables
2010-09-22 09:00:40 +00:00
7548858ffa
Some useful changes in damper for quicker convergence.
2010-09-22 08:54:36 +00:00
604992a9e1
fixes bugs in screen output, changed gmsh output, now the deformed mesh is written out
2010-09-22 08:51:34 +00:00
6920d8d939
cleaning up, added new output to gmsh and to screen, prepared calculation of deformed mesh
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new convergence criteria: divergence of stressfield (in fourier space)
2010-09-21 15:38:25 +00:00
8488cafe3a
now consistent with numerics.f90 values
2010-09-21 14:37:52 +00:00
18c86ca0b1
Updated corresponding files for titanmod constitutive
2010-09-13 09:29:03 +00:00
9a20f742ea
leaner memory requirement to store states and their rates when calculating the crystallite stiffness
2010-09-13 09:13:25 +00:00
1693bfca47
changed calculation of defgrad from cauchy-stress to pk-stress, now working in large-strain-formulation.
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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
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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...
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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
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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
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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
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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
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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
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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.
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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.
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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
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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
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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.
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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:
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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
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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
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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
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- 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.
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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
Denny Tjahjanto