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Merge branch 'restructure-numerics' into 'development' 

Restructure numerical parameters RGC

See merge request damask/DAMASK!788
This commit is contained in:
Philip Eisenlohr 2023-08-01 18:23:31 +00:00
parent 4d03d1ab89 485839b651
commit d73f769013
3 changed files with 43 additions and 68 deletions
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36
examples/config/numerics.yaml
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@ -2,28 +2,22 @@
# Case sensitive keys # Case sensitive keys
homogenization: homogenization:
mech: mechanical:
RGC: RGC:
atol: 1.0e+4 # absolute tolerance of RGC residuum (in Pa) eps_abs_P: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
rtol: 1.0e-3 # relative ... eps_rel_P: 1.0e-3 # relative ...
amax: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa) eps_abs_max: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
rmax: 1.0e+2 # relative ... eps_rel_max: 1.0e+2 # relative ...
perturbpenalty: 1.0e-7 # perturbation for computing penalty tangent Delta_a: 1.0e-7 # perturbation for computing penalty tangent
relevantmismatch: 1.0e-5 # minimum threshold of mismatch relevant_mismatch: 1.0e-5 # minimum threshold of mismatch
viscositypower: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme viscosity_exponent: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
viscositymodulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity) viscosity_modulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material # suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
refrelaxationrate: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher) dot_a_ref: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
maxrelaxationrate: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback) dot_a_max: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
maxvoldiscrepancy: 1.0e-5 # maximum allowable relative volume discrepancy Delta_V_max: 1.0e-5 # maximum allowable relative volume discrepancy
voldiscrepancymod: 1.0e+12 Delta_V_modulus: 1.0e+12
discrepancypower: 5.0 Delta_V_exponent: 5.0
generic:
subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSize: 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
nMPstate: 10 # materialpoint state loop limit
solver: solver:
grid: grid:

23
src/homogenization.f90
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@ -59,15 +59,6 @@ module homogenization
real(pREAL), dimension(:,:,:,:,:), allocatable, public :: & !, protected :: & real(pREAL), dimension(:,:,:,:,:), allocatable, public :: & !, protected :: &
homogenization_dPdF !< tangent of first P--K stress at IP homogenization_dPdF !< tangent of first P--K stress at IP
!--------------------------------------------------------------------------------------------------
type :: tNumerics
integer :: &
nMPstate !< materialpoint state loop limit
end type tNumerics
type(tNumerics) :: num
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
interface interface
@ -214,12 +205,6 @@ subroutine homogenization_init()
allocate(damageState_h (size(material_name_homogenization))) allocate(damageState_h (size(material_name_homogenization)))
call parseHomogenization() call parseHomogenization()
num_homog => config_numerics%get_dict('homogenization',defaultVal=emptyDict)
num_homogGeneric => num_homog%get_dict('generic',defaultVal=emptyDict)
num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10)
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
call mechanical_init() call mechanical_init()
call thermal_init() call thermal_init()
call damage_init() call damage_init()
@ -236,7 +221,6 @@ subroutine homogenization_mechanical_response(Delta_t,cell_start,cell_end)
integer, intent(in) :: & integer, intent(in) :: &
cell_start, cell_end cell_start, cell_end
integer :: & integer :: &
NiterationMPstate, &
co, ce, ho, en co, ce, ho, en
logical :: & logical :: &
converged converged
@ -244,7 +228,7 @@ subroutine homogenization_mechanical_response(Delta_t,cell_start,cell_end)
doneAndHappy doneAndHappy
!$OMP PARALLEL DO PRIVATE(en,ho,co,NiterationMPstate,converged,doneAndHappy) !$OMP PARALLEL DO PRIVATE(en,ho,co,converged,doneAndHappy)
do ce = cell_start, cell_end do ce = cell_start, cell_end
en = material_entry_homogenization(ce) en = material_entry_homogenization(ce)
@ -258,10 +242,7 @@ subroutine homogenization_mechanical_response(Delta_t,cell_start,cell_end)
doneAndHappy = [.false.,.true.] doneAndHappy = [.false.,.true.]
NiterationMPstate = 0 convergenceLooping: do while (.not. (terminallyIll .or. doneAndHappy(1)))
convergenceLooping: do while (.not. (terminallyIll .or. doneAndHappy(1)) &
.and. NiterationMPstate < num%nMPstate)
NiterationMPstate = NiterationMPstate + 1
call mechanical_partition(homogenization_F(1:3,1:3,ce),ce) call mechanical_partition(homogenization_F(1:3,1:3,ce),ce)
converged = all([(phase_mechanical_constitutive(Delta_t,co,ce),co=1,homogenization_Nconstituents(ho))]) converged = all([(phase_mechanical_constitutive(Delta_t,co,ce),co=1,homogenization_Nconstituents(ho))])

52
src/homogenization_mechanical_RGC.f90
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@ -108,33 +108,33 @@ module subroutine RGC_init()
num_mechanical => num_homogenization%get_dict('mechanical',defaultVal=emptyDict) num_mechanical => num_homogenization%get_dict('mechanical',defaultVal=emptyDict)
num_RGC => num_mechanical%get_dict('RGC',defaultVal=emptyDict) num_RGC => num_mechanical%get_dict('RGC',defaultVal=emptyDict)
num%atol = num_RGC%get_asReal('atol', defaultVal=1.0e+4_pREAL) num%atol = num_RGC%get_asReal('eps_abs_P', defaultVal=1.0e+4_pREAL)
num%rtol = num_RGC%get_asReal('rtol', defaultVal=1.0e-3_pREAL) num%rtol = num_RGC%get_asReal('eps_rel_P', defaultVal=1.0e-3_pREAL)
num%absMax = num_RGC%get_asReal('amax', defaultVal=1.0e+10_pREAL) num%absMax = num_RGC%get_asReal('eps_abs_max', defaultVal=1.0e+10_pREAL)
num%relMax = num_RGC%get_asReal('rmax', defaultVal=1.0e+2_pREAL) num%relMax = num_RGC%get_asReal('eps_rel_max', defaultVal=1.0e+2_pREAL)
num%pPert = num_RGC%get_asReal('perturbpenalty', defaultVal=1.0e-7_pREAL) num%pPert = num_RGC%get_asReal('Delta_a', defaultVal=1.0e-7_pREAL)
num%xSmoo = num_RGC%get_asReal('relvantmismatch', defaultVal=1.0e-5_pREAL) num%xSmoo = num_RGC%get_asReal('relevant_mismatch', defaultVal=1.0e-5_pREAL)
num%viscPower = num_RGC%get_asReal('viscositypower', defaultVal=1.0e+0_pREAL) num%viscPower = num_RGC%get_asReal('viscosity_exponent', defaultVal=1.0e+0_pREAL)
num%viscModus = num_RGC%get_asReal('viscositymodulus', defaultVal=0.0e+0_pREAL) num%viscModus = num_RGC%get_asReal('viscosity_modulus', defaultVal=0.0e+0_pREAL)
num%refRelaxRate = num_RGC%get_asReal('refrelaxationrate', defaultVal=1.0e-3_pREAL) num%refRelaxRate = num_RGC%get_asReal('dot_a_ref', defaultVal=1.0e-3_pREAL)
num%maxdRelax = num_RGC%get_asReal('maxrelaxationrate', defaultVal=1.0e+0_pREAL) num%maxdRelax = num_RGC%get_asReal('dot_a_max', defaultVal=1.0e+0_pREAL)
num%maxVolDiscr = num_RGC%get_asReal('maxvoldiscrepancy', defaultVal=1.0e-5_pREAL) num%maxVolDiscr = num_RGC%get_asReal('Delta_V_max', defaultVal=1.0e-5_pREAL)
num%volDiscrMod = num_RGC%get_asReal('voldiscrepancymod', defaultVal=1.0e+12_pREAL) num%volDiscrMod = num_RGC%get_asReal('Delta_V_modulus', defaultVal=1.0e+12_pREAL)
num%volDiscrPow = num_RGC%get_asReal('dicrepancypower', defaultVal=5.0_pREAL) num%volDiscrPow = num_RGC%get_asReal('Delta_V_exponent', defaultVal=5.0_pREAL)
if (num%atol <= 0.0_pREAL) call IO_error(301,ext_msg='absTol_RGC') if (num%atol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_abs_P')
if (num%rtol <= 0.0_pREAL) call IO_error(301,ext_msg='relTol_RGC') if (num%rtol <= 0.0_pREAL) call IO_error(301,ext_msg='eps_rel_P')
if (num%absMax <= 0.0_pREAL) call IO_error(301,ext_msg='absMax_RGC') if (num%absMax <= 0.0_pREAL) call IO_error(301,ext_msg='eps_abs_max')
if (num%relMax <= 0.0_pREAL) call IO_error(301,ext_msg='relMax_RGC') if (num%relMax <= 0.0_pREAL) call IO_error(301,ext_msg='eps_rel_max')
if (num%pPert <= 0.0_pREAL) call IO_error(301,ext_msg='pPert_RGC') if (num%pPert <= 0.0_pREAL) call IO_error(301,ext_msg='Delta_a')
if (num%xSmoo <= 0.0_pREAL) call IO_error(301,ext_msg='xSmoo_RGC') if (num%xSmoo <= 0.0_pREAL) call IO_error(301,ext_msg='relevant_mismatch')
if (num%viscPower < 0.0_pREAL) call IO_error(301,ext_msg='viscPower_RGC') if (num%viscPower < 0.0_pREAL) call IO_error(301,ext_msg='viscosity_exponent')
if (num%viscModus < 0.0_pREAL) call IO_error(301,ext_msg='viscModus_RGC') if (num%viscModus < 0.0_pREAL) call IO_error(301,ext_msg='viscosity_modulus')
if (num%refRelaxRate <= 0.0_pREAL) call IO_error(301,ext_msg='refRelaxRate_RGC') if (num%refRelaxRate <= 0.0_pREAL) call IO_error(301,ext_msg='dot_a_ref')
if (num%maxdRelax <= 0.0_pREAL) call IO_error(301,ext_msg='maxdRelax_RGC') if (num%maxdRelax <= 0.0_pREAL) call IO_error(301,ext_msg='dot_a_max')
if (num%maxVolDiscr <= 0.0_pREAL) call IO_error(301,ext_msg='maxVolDiscr_RGC') if (num%maxVolDiscr <= 0.0_pREAL) call IO_error(301,ext_msg='Delta_V_max')
if (num%volDiscrMod < 0.0_pREAL) call IO_error(301,ext_msg='volDiscrMod_RGC') if (num%volDiscrMod < 0.0_pREAL) call IO_error(301,ext_msg='Delta_V_modulus')
if (num%volDiscrPow <= 0.0_pREAL) call IO_error(301,ext_msg='volDiscrPw_RGC') if (num%volDiscrPow <= 0.0_pREAL) call IO_error(301,ext_msg='Delta_V_exponent')
do ho = 1, size(mechanical_type) do ho = 1, size(mechanical_type)