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save information on slip systems for reproducibility

This commit is contained in:
Martin Diehl 2021-07-27 15:05:27 +02:00
parent a891fe4281
commit 07fb7f8fdf
4 changed files with 119 additions and 83 deletions
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4
src/phase_mechanical_plastic_dislotungsten.f90
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@ -402,7 +402,7 @@ module subroutine plastic_dislotungsten_results(ph,group)
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
outputsLoop: do ou = 1,size(prm%output) do ou = 1,size(prm%output)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
@ -423,7 +423,7 @@ module subroutine plastic_dislotungsten_results(ph,group)
'threshold stress for slip','Pa') 'threshold stress for slip','Pa')
end select end select
enddo outputsLoop enddo
end associate end associate

56
src/phase_mechanical_plastic_kinehardening.f90
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@ -30,6 +30,8 @@ submodule(phase:plastic) kinehardening
nonSchmidActive = .false. nonSchmidActive = .false.
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
output output
character(len=:), allocatable, dimension(:) :: &
systems_sl
end type tParameters end type tParameters
type :: tKinehardeningState type :: tKinehardeningState
@ -40,7 +42,6 @@ submodule(phase:plastic) kinehardening
gamma, & !< accumulated (absolute) shear gamma, & !< accumulated (absolute) shear
gamma_0, & !< accumulated shear at last switch of stress sense gamma_0, & !< accumulated shear at last switch of stress sense
sgn_gamma !< sense of acting shear stress (-1 or +1) sgn_gamma !< sense of acting shear stress (-1 or +1)
end type tKinehardeningState end type tKinehardeningState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -113,6 +114,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray) N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(N_sl)) prm%sum_N_sl = sum(abs(N_sl))
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%systems_sl = lattice_labels_slip(N_sl,phase_lattice(ph))
prm%P = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%P = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
if (phase_lattice(ph) == 'cI') then if (phase_lattice(ph) == 'cI') then
@ -351,31 +353,37 @@ module subroutine plastic_kinehardening_results(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer :: o integer :: ou
associate(prm => param(ph), stt => state(ph)) associate(prm => param(ph), stt => state(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) do ou = 1,size(prm%output)
case ('xi')
if(prm%sum_N_sl>0) call results_writeDataset(stt%xi,group,trim(prm%output(o)), & select case(trim(prm%output(ou)))
'resistance against plastic slip','Pa')
case ('chi') case ('xi')
if(prm%sum_N_sl>0) call results_writeDataset(stt%chi,group,trim(prm%output(o)), & call results_writePhaseState(stt%xi,group,trim(prm%output(ou)),prm%systems_sl, &
'back stress','Pa') 'resistance against plastic slip','Pa')
case ('sgn(gamma)') case ('chi')
if(prm%sum_N_sl>0) call results_writeDataset(int(stt%sgn_gamma),group,trim(prm%output(o)), & call results_writePhaseState(stt%chi,group,trim(prm%output(ou)),prm%systems_sl, &
'sense of shear','1') 'back stress','Pa')
case ('chi_0') case ('sgn(gamma)')
if(prm%sum_N_sl>0) call results_writeDataset(stt%chi_0,group,trim(prm%output(o)), & call results_writePhaseState(int(stt%sgn_gamma),group,trim(prm%output(ou)),prm%systems_sl, &
'back stress at last switch of stress sense','Pa') 'sense of shear','1')
case ('gamma_0') case ('chi_0')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma_0,group,trim(prm%output(o)), & call results_writePhaseState(stt%chi_0,group,trim(prm%output(ou)),prm%systems_sl, &
'plastic shear at last switch of stress sense','1') 'back stress at last switch of stress sense','Pa')
case ('gamma') case ('gamma_0')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma,group,trim(prm%output(o)), & call results_writePhaseState(stt%gamma_0,group,trim(prm%output(ou)),prm%systems_sl, &
'plastic shear','1') 'plastic shear at last switch of stress sense','1')
end select case ('gamma')
enddo outputsLoop call results_writePhaseState(stt%gamma,group,trim(prm%output(ou)),prm%systems_sl, &
'plastic shear','1')
end select
enddo
end associate end associate
end subroutine plastic_kinehardening_results end subroutine plastic_kinehardening_results

108
src/phase_mechanical_plastic_nonlocal.f90
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@ -1474,62 +1474,62 @@ module subroutine plastic_nonlocal_results(ph,group)
do ou = 1,size(prm%output) do ou = 1,size(prm%output)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
case('rho_u_ed_pos') case('rho_u_ed_pos')
call results_writePhaseState(stt%rho_sgl_mob_edg_pos,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_mob_edg_pos,group,trim(prm%output(ou)), prm%systems_sl, &
'positive mobile edge density','1/m²') 'positive mobile edge density','1/m²')
case('rho_b_ed_pos') case('rho_b_ed_pos')
call results_writePhaseState(stt%rho_sgl_imm_edg_pos,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_imm_edg_pos,group,trim(prm%output(ou)), prm%systems_sl, &
'positive immobile edge density','1/m²') 'positive immobile edge density','1/m²')
case('rho_u_ed_neg') case('rho_u_ed_neg')
call results_writePhaseState(stt%rho_sgl_mob_edg_neg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_mob_edg_neg,group,trim(prm%output(ou)), prm%systems_sl, &
'negative mobile edge density','1/m²') 'negative mobile edge density','1/m²')
case('rho_b_ed_neg') case('rho_b_ed_neg')
call results_writePhaseState(stt%rho_sgl_imm_edg_neg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_imm_edg_neg,group,trim(prm%output(ou)), prm%systems_sl, &
'negative immobile edge density','1/m²') 'negative immobile edge density','1/m²')
case('rho_d_ed') case('rho_d_ed')
call results_writePhaseState(stt%rho_dip_edg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_dip_edg,group,trim(prm%output(ou)), prm%systems_sl, &
'edge dipole density','1/m²') 'edge dipole density','1/m²')
case('rho_u_sc_pos') case('rho_u_sc_pos')
call results_writePhaseState(stt%rho_sgl_mob_scr_pos,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_mob_scr_pos,group,trim(prm%output(ou)), prm%systems_sl, &
'positive mobile screw density','1/m²') 'positive mobile screw density','1/m²')
case('rho_b_sc_pos') case('rho_b_sc_pos')
call results_writePhaseState(stt%rho_sgl_imm_scr_pos,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_imm_scr_pos,group,trim(prm%output(ou)), prm%systems_sl, &
'positive immobile screw density','1/m²') 'positive immobile screw density','1/m²')
case('rho_u_sc_neg') case('rho_u_sc_neg')
call results_writePhaseState(stt%rho_sgl_mob_scr_neg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_mob_scr_neg,group,trim(prm%output(ou)), prm%systems_sl, &
'negative mobile screw density','1/m²') 'negative mobile screw density','1/m²')
case('rho_b_sc_neg') case('rho_b_sc_neg')
call results_writePhaseState(stt%rho_sgl_imm_scr_neg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_sgl_imm_scr_neg,group,trim(prm%output(ou)), prm%systems_sl, &
'negative immobile screw density','1/m²') 'negative immobile screw density','1/m²')
case('rho_d_sc') case('rho_d_sc')
call results_writePhaseState(stt%rho_dip_scr,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_dip_scr,group,trim(prm%output(ou)), prm%systems_sl, &
'screw dipole density','1/m²') 'screw dipole density','1/m²')
case('rho_f') case('rho_f')
call results_writePhaseState(stt%rho_forest,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%rho_forest,group,trim(prm%output(ou)), prm%systems_sl, &
'forest density','1/m²') 'forest density','1/m²')
case('v_ed_pos') case('v_ed_pos')
call results_writePhaseState(stt%v_edg_pos,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%v_edg_pos,group,trim(prm%output(ou)), prm%systems_sl, &
'positive edge velocity','m/s') 'positive edge velocity','m/s')
case('v_ed_neg') case('v_ed_neg')
call results_writePhaseState(stt%v_edg_neg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%v_edg_neg,group,trim(prm%output(ou)), prm%systems_sl, &
'negative edge velocity','m/s') 'negative edge velocity','m/s')
case('v_sc_pos') case('v_sc_pos')
call results_writePhaseState(stt%v_scr_pos,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%v_scr_pos,group,trim(prm%output(ou)), prm%systems_sl, &
'positive srew velocity','m/s') 'positive srew velocity','m/s')
case('v_sc_neg') case('v_sc_neg')
call results_writePhaseState(stt%v_scr_neg,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%v_scr_neg,group,trim(prm%output(ou)), prm%systems_sl, &
'negative screw velocity','m/s') 'negative screw velocity','m/s')
case('gamma') case('gamma')
call results_writePhaseState(stt%gamma,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(stt%gamma,group,trim(prm%output(ou)), prm%systems_sl, &
'plastic shear','1') 'plastic shear','1')
case('tau_pass') case('tau_pass')
call results_writePhaseState(dst%tau_pass,group,trim(prm%output(ou)), prm%systems_sl, & call results_writePhaseState(dst%tau_pass,group,trim(prm%output(ou)), prm%systems_sl, &
'passing stress for slip','Pa') 'passing stress for slip','Pa')
end select end select
enddo enddo
end associate end associate

34
src/results.f90
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@ -33,6 +33,11 @@ module results
module procedure results_writeVectorDataset_int module procedure results_writeVectorDataset_int
end interface results_writeDataset end interface results_writeDataset
interface results_writePhaseState
module procedure results_writePhaseState_real
module procedure results_writePhaseState_int
end interface results_writePhaseState
interface results_addAttribute interface results_addAttribute
module procedure results_addAttribute_str module procedure results_addAttribute_str
module procedure results_addAttribute_int module procedure results_addAttribute_int
@ -361,7 +366,7 @@ end subroutine results_writeVectorDataset_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store real vector dataset with associated metadata for slip !> @brief Store real vector dataset with associated metadata for slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writePhaseState(dataset,group,label,systems,description,SIunit) subroutine results_writePhaseState_real(dataset,group,label,systems,description,SIunit)
character(len=*), intent(in) :: label,group,description,SIunit character(len=*), intent(in) :: label,group,description,SIunit
real(pReal), intent(in), dimension(:,:) :: dataset real(pReal), intent(in), dimension(:,:) :: dataset
@ -370,7 +375,7 @@ subroutine results_writePhaseState(dataset,group,label,systems,description,SIuni
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
if (size(systems)*size(dataset,2) == 0 ) return !ToDo: maybe use for other results_write (not sure about scalar) if (size(systems)*size(dataset,2) == 0 ) return !ToDo: maybe also implement for other results_write (not sure about scalar)
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
@ -378,7 +383,30 @@ subroutine results_writePhaseState(dataset,group,label,systems,description,SIuni
call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label) call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writePhaseState end subroutine results_writePhaseState_real
!--------------------------------------------------------------------------------------------------
!> @brief Store real vector dataset with associated metadata for slip
!--------------------------------------------------------------------------------------------------
subroutine results_writePhaseState_int(dataset,group,label,systems,description,SIunit)
character(len=*), intent(in) :: label,group,description,SIunit
integer, intent(in), dimension(:,:) :: dataset
character(len=*), intent(in), dimension(:) :: systems
integer(HID_T) :: groupHandle
if (size(systems)*size(dataset,2) == 0 ) return !ToDo: maybe also implement for other results_write (not sure about scalar)
groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writePhaseState_int
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------