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moved more variables from numerics to crystallite
This commit is contained in:
Martin Diehl 2019-04-11 11:27:03 +02:00
parent 8f7239b75d
commit 52555d8c3c
2 changed files with 48 additions and 62 deletions
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64
src/crystallite.f90
View File

@ -111,6 +111,10 @@ module crystallite
type(tOutput), allocatable, dimension(:), private :: output_constituent type(tOutput), allocatable, dimension(:), private :: output_constituent
type, private :: tNumerics type, private :: tNumerics
integer :: &
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
nState, & !< state loop limit
nStress !< stress loop limit
real(pReal) :: & real(pReal) :: &
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
subStepSizeCryst, & !< size of first substep when cutback subStepSizeCryst, & !< size of first substep when cutback
@ -255,24 +259,38 @@ subroutine crystallite_init
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), & allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
size(config_crystallite)), source=0) size(config_crystallite)), source=0)
num%subStepMinCryst = config_numerics%getFloat('subStepMinCryst', defaultVal=1.0e-3_pReal) num%subStepMinCryst = config_numerics%getFloat('substepmincryst', defaultVal=1.0e-3_pReal)
num%subStepSizeCryst = config_numerics%getFloat('subStepSizeCryst', defaultVal=0.25_pReal) num%subStepSizeCryst = config_numerics%getFloat('substepsizecryst', defaultVal=0.25_pReal)
num%subStepSizeLp = config_numerics%getFloat('subStepSizeLp', defaultVal=0.5_pReal) num%stepIncreaseCryst = config_numerics%getFloat('stepincreasecryst', defaultVal=1.5_pReal)
num%subStepSizeLi = config_numerics%getFloat('subStepSizeLi', defaultVal=0.5_pReal)
num%stepIncreaseCryst = config_numerics%getFloat('stepIncreaseCryst', defaultVal=1.5_pReal) num%subStepSizeLp = config_numerics%getFloat('substepsizelp', defaultVal=0.5_pReal)
num%rTol_crystalliteState = config_numerics%getFloat('rTol_crystalliteState', defaultVal=1.0e-6_pReal) num%subStepSizeLi = config_numerics%getFloat('substepsizeli', defaultVal=0.5_pReal)
num%rTol_crystalliteStress = config_numerics%getFloat('rTol_crystalliteStress',defaultVal=1.0e-6_pReal)
num%aTol_crystalliteStress = config_numerics%getFloat('aTol_crystalliteStress',defaultVal=1.0e-8_pReal) num%rTol_crystalliteState = config_numerics%getFloat('rtol_crystallitestate', defaultVal=1.0e-6_pReal)
num%rTol_crystalliteStress = config_numerics%getFloat('rtol_crystallitestress',defaultVal=1.0e-6_pReal)
num%aTol_crystalliteStress = config_numerics%getFloat('atol_crystallitestress',defaultVal=1.0e-8_pReal)
num%iJacoLpresiduum = config_numerics%getInt ('ijacolpresiduum', defaultVal=1)
num%nState = config_numerics%getInt ('nstate', defaultVal=20)
num%nStress = config_numerics%getInt ('nstress', defaultVal=40)
if(num%subStepMinCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinCryst') if(num%subStepMinCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinCryst')
if(num%subStepSizeCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeCryst') if(num%subStepSizeCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeCryst')
if(num%stepIncreaseCryst <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseCryst') if(num%stepIncreaseCryst <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseCryst')
if(num%subStepSizeLp <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLp') if(num%subStepSizeLp <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLp')
if(num%subStepSizeLi <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLi') if(num%subStepSizeLi <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLi')
if(num%rTol_crystalliteState <= 0.0_pReal) call IO_error(301,ext_msg='rTol_crystalliteState') if(num%rTol_crystalliteState <= 0.0_pReal) call IO_error(301,ext_msg='rTol_crystalliteState')
if(num%rTol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='rTol_crystalliteStress') if(num%rTol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='rTol_crystalliteStress')
if(num%aTol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='aTol_crystalliteStress') if(num%aTol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='aTol_crystalliteStress')
if(num%iJacoLpresiduum < 1) call IO_error(301,ext_msg='iJacoLpresiduum')
if(num%nState < 1) call IO_error(301,ext_msg='nState')
if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
select case(numerics_integrator) select case(numerics_integrator)
case(1) case(1)
integrateState => integrateStateFPI integrateState => integrateStateFPI
@ -727,7 +745,7 @@ end function crystallite_stress
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculate tangent (dPdF) !> @brief calculate tangent (dPdF)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_stressTangent() subroutine crystallite_stressTangent
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dNeq0 dNeq0
@ -1257,8 +1275,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
IEEE_arithmetic IEEE_arithmetic
use prec, only: tol_math_check, & use prec, only: tol_math_check, &
dEq0 dEq0
use numerics, only: nStress, &
iJacoLpresiduum
#ifdef DEBUG #ifdef DEBUG
use debug, only: debug_level, & use debug, only: debug_level, &
debug_e, & debug_e, &
@ -1401,10 +1417,10 @@ logical function integrateStress(ipc,ip,el,timeFraction)
LiLoop: do LiLoop: do
NiterationStressLi = NiterationStressLi + 1 NiterationStressLi = NiterationStressLi + 1
LiLoopLimit: if (NiterationStressLi > nStress) then LiLoopLimit: if (NiterationStressLi > num%nStress) then
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) & if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Li loop limit',nStress, & write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Li loop limit',num%nStress, &
' at el ip ipc ', el,ip,ipc ' at el ip ipc ', el,ip,ipc
#endif #endif
return return
@ -1423,10 +1439,10 @@ logical function integrateStress(ipc,ip,el,timeFraction)
LpLoop: do LpLoop: do
NiterationStressLp = NiterationStressLp + 1 NiterationStressLp = NiterationStressLp + 1
LpLoopLimit: if (NiterationStressLp > nStress) then LpLoopLimit: if (NiterationStressLp > num%nStress) then
#ifdef DEBUG #ifdef DEBUG
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) & if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Lp loop limit',nStress, & write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Lp loop limit',num%nStress, &
' at el ip ipc ', el,ip,ipc ' at el ip ipc ', el,ip,ipc
#endif #endif
return return
@ -1492,7 +1508,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
!* calculate Jacobian for correction term !* calculate Jacobian for correction term
if (mod(jacoCounterLp, iJacoLpresiduum) == 0) then if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
do o=1,3; do p=1,3 do o=1,3; do p=1,3
dFe_dLp(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j) dFe_dLp(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
enddo; enddo enddo; enddo
@ -1582,7 +1598,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
endif endif
!* calculate Jacobian for correction term !* calculate Jacobian for correction term
if (mod(jacoCounterLi, iJacoLpresiduum) == 0) then if (mod(jacoCounterLi, num%iJacoLpresiduum) == 0) then
temp_33 = matmul(matmul(A,B),invFi_current) temp_33 = matmul(matmul(A,B),invFi_current)
do o=1,3; do p=1,3 do o=1,3; do p=1,3
dFe_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*temp_33 ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j) dFe_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*temp_33 ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
@ -1691,8 +1707,6 @@ subroutine integrateStateFPI
debug_levelExtensive, & debug_levelExtensive, &
debug_levelSelective debug_levelSelective
#endif #endif
use numerics, only: &
nState
use mesh, only: & use mesh, only: &
mesh_element mesh_element
use material, only: & use material, only: &
@ -1729,7 +1743,7 @@ subroutine integrateStateFPI
NiterationState = 0 NiterationState = 0
doneWithIntegration = .false. doneWithIntegration = .false.
crystalliteLooping: do while (.not. doneWithIntegration .and. NiterationState < nState) crystalliteLooping: do while (.not. doneWithIntegration .and. NiterationState < num%nState)
NiterationState = NiterationState + 1 NiterationState = NiterationState + 1
#ifdef DEBUG #ifdef DEBUG
@ -1890,7 +1904,7 @@ end subroutine integrateStateFPI
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief integrate state with 1st order explicit Euler method !> @brief integrate state with 1st order explicit Euler method
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateEuler() subroutine integrateStateEuler
use material, only: & use material, only: &
plasticState plasticState
@ -1908,7 +1922,7 @@ end subroutine integrateStateEuler
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with 1st order Euler method with adaptive step size !> @brief integrate stress, state with 1st order Euler method with adaptive step size
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateAdaptiveEuler() subroutine integrateStateAdaptiveEuler
use mesh, only: & use mesh, only: &
theMesh, & theMesh, &
mesh_element mesh_element
@ -2014,7 +2028,7 @@ end subroutine integrateStateAdaptiveEuler
!> @brief integrate stress, state with 4th order explicit Runge Kutta method !> @brief integrate stress, state with 4th order explicit Runge Kutta method
! ToDo: This is totally BROKEN: RK4dotState is never used!!! ! ToDo: This is totally BROKEN: RK4dotState is never used!!!
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRK4() subroutine integrateStateRK4
use mesh, only: & use mesh, only: &
mesh_element mesh_element
use material, only: & use material, only: &
@ -2081,7 +2095,7 @@ end subroutine integrateStateRK4
!> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with !> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with
!> adaptive step size (use 5th order solution to advance = "local extrapolation") !> adaptive step size (use 5th order solution to advance = "local extrapolation")
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine integrateStateRKCK45() subroutine integrateStateRKCK45
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element, &
theMesh theMesh
@ -2349,7 +2363,7 @@ end subroutine update_stress
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief tbd !> @brief tbd
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine update_dependentState() subroutine update_dependentState
use mesh, only: & use mesh, only: &
mesh_element mesh_element
use constitutive, only: & use constitutive, only: &

28
src/numerics.f90
View File

@ -13,11 +13,7 @@ module numerics
integer(pInt), protected, public :: & integer(pInt), protected, public :: &
iJacoStiffness = 1_pInt, & !< frequency of stiffness update iJacoStiffness = 1_pInt, & !< frequency of stiffness update
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
nMPstate = 10_pInt, & !< materialpoint state loop limit nMPstate = 10_pInt, & !< materialpoint state loop limit
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
nState = 10_pInt, & !< state loop limit
nStress = 40_pInt, & !< stress loop limit
randomSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed randomSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only) worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only)
worldsize = 1_pInt, & !< MPI worldsize (/=1 for MPI simulations only) worldsize = 1_pInt, & !< MPI worldsize (/=1 for MPI simulations only)
@ -186,30 +182,14 @@ subroutine numerics_init
defgradTolerance = IO_floatValue(line,chunkPos,2_pInt) defgradTolerance = IO_floatValue(line,chunkPos,2_pInt)
case ('ijacostiffness') case ('ijacostiffness')
iJacoStiffness = IO_intValue(line,chunkPos,2_pInt) iJacoStiffness = IO_intValue(line,chunkPos,2_pInt)
case ('ijacolpresiduum')
iJacoLpresiduum = IO_intValue(line,chunkPos,2_pInt)
case ('nmpstate') case ('nmpstate')
nMPstate = IO_intValue(line,chunkPos,2_pInt) nMPstate = IO_intValue(line,chunkPos,2_pInt)
case ('ncryst')
nCryst = IO_intValue(line,chunkPos,2_pInt)
case ('nstate')
nState = IO_intValue(line,chunkPos,2_pInt)
case ('nstress')
nStress = IO_intValue(line,chunkPos,2_pInt)
case ('substepmincryst')
case ('substepsizecryst')
case ('stepincreasecryst')
case ('substepsizelp')
case ('substepsizeli')
case ('substepminhomog') case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt) subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt)
case ('substepsizehomog') case ('substepsizehomog')
subStepSizeHomog = IO_floatValue(line,chunkPos,2_pInt) subStepSizeHomog = IO_floatValue(line,chunkPos,2_pInt)
case ('stepincreasehomog') case ('stepincreasehomog')
stepIncreaseHomog = IO_floatValue(line,chunkPos,2_pInt) stepIncreaseHomog = IO_floatValue(line,chunkPos,2_pInt)
case ('rtol_crystallitestate')
case ('rtol_crystallitestress')
case ('atol_crystallitestress')
case ('integrator') case ('integrator')
numerics_integrator = IO_intValue(line,chunkPos,2_pInt) numerics_integrator = IO_intValue(line,chunkPos,2_pInt)
case ('usepingpong') case ('usepingpong')
@ -332,10 +312,6 @@ subroutine numerics_init
! writing parameters to output ! writing parameters to output
write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,1x,i8)') ' nCryst: ',nCryst
write(6,'(a24,1x,i8)') ' nState: ',nState
write(6,'(a24,1x,i8)') ' nStress: ',nStress
write(6,'(a24,1x,i8)') ' integrator: ',numerics_integrator write(6,'(a24,1x,i8)') ' integrator: ',numerics_integrator
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
@ -417,11 +393,7 @@ subroutine numerics_init
! sanity checks ! sanity checks
if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance') if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance')
if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness') if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness')
if (iJacoLpresiduum < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoLpresiduum')
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate') if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
if (nStress < 1_pInt) call IO_error(301_pInt,ext_msg='nStress')
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog') if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog') if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog') if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')