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Merge branch 'report-systems' into 'development' 

add information about active slip+twin systems to DADF5

See merge request damask/DAMASK!423
This commit is contained in:
Vitesh 2021-08-10 08:49:27 +00:00
parent 7f67ca243c b29b0ecd71
commit 4a0a7f3c07
9 changed files with 296 additions and 228 deletions
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5
python/damask/_result.py
View File

@ -1301,7 +1301,8 @@ class Result:
loc = f[group+'/'+label] loc = f[group+'/'+label]
datasets_in[arg]={'data' :loc[()], datasets_in[arg]={'data' :loc[()],
'label':label, 'label':label,
'meta': {k:(v if h5py3 else v.decode()) for k,v in loc.attrs.items()}} 'meta': {k:(v.decode() if not h5py3 and type(v) is bytes else v) \
for k,v in loc.attrs.items()}}
lock.release() lock.release()
r = func(**datasets_in,**args) r = func(**datasets_in,**args)
return [group,r] return [group,r]
@ -1369,7 +1370,7 @@ class Result:
now.strftime('%Y-%m-%d %H:%M:%S%z').encode() now.strftime('%Y-%m-%d %H:%M:%S%z').encode()
for l,v in result['meta'].items(): for l,v in result['meta'].items():
dataset.attrs[l.lower()]=v if h5py3 else v.encode() dataset.attrs[l.lower()]=v.encode() if not h5py3 and type(v) is str else v
creator = dataset.attrs['creator'] if h5py3 else \ creator = dataset.attrs['creator'] if h5py3 else \
dataset.attrs['creator'].decode() dataset.attrs['creator'].decode()
dataset.attrs['creator'] = f'damask.Result.{creator} v{damask.version}' if h5py3 else \ dataset.attrs['creator'] = f'damask.Result.{creator} v{damask.version}' if h5py3 else \

57
src/HDF5_utilities.f90
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@ -314,12 +314,12 @@ subroutine HDF5_addAttribute_str(loc_id,attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
integer(HID_T) :: attr_id, space_id, type_id integer(HID_T) :: attr_id, space_id
logical :: attrExists logical :: attrExists
integer :: hdferr integer :: hdferr
character(len=:), allocatable :: p character(len=:), allocatable :: p
character(len=:,kind=C_CHAR), allocatable,target :: attrValue_ character(len=len_trim(attrValue)+1,kind=C_CHAR), dimension(1), target :: attrValue_
type(c_ptr), target, dimension(1) :: ptr type(C_PTR), target, dimension(1) :: ptr
if (present(path)) then if (present(path)) then
@ -328,13 +328,11 @@ subroutine HDF5_addAttribute_str(loc_id,attrLabel,attrValue,path)
p = '.' p = '.'
endif endif
attrValue_ = trim(attrValue)//C_NULL_CHAR attrValue_(1) = trim(attrValue)//C_NULL_CHAR
ptr(1) = c_loc(attrValue_) ptr(1) = c_loc(attrValue_(1))
call h5screate_f(H5S_SCALAR_F,space_id,hdferr) call h5screate_f(H5S_SCALAR_F,space_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5tcopy_f(H5T_STRING, type_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr) call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
@ -342,15 +340,14 @@ subroutine HDF5_addAttribute_str(loc_id,attrLabel,attrValue,path)
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),type_id,space_id,attr_id,hdferr)
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_STRING,space_id,attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5awrite_f(attr_id, type_id, c_loc(ptr(1)), hdferr) call h5awrite_f(attr_id, H5T_STRING, c_loc(ptr), hdferr) ! ptr instead of c_loc(ptr) works on gfortran, not on ifort
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5aclose_f(attr_id,hdferr) call h5aclose_f(attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5tclose_f(type_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5sclose_f(space_id,hdferr) call h5sclose_f(space_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
@ -388,6 +385,7 @@ subroutine HDF5_addAttribute_int(loc_id,attrLabel,attrValue,path)
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_INTEGER,space_id,attr_id,hdferr) call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_INTEGER,space_id,attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5awrite_f(attr_id, H5T_NATIVE_INTEGER, attrValue, int([1],HSIZE_T), hdferr) call h5awrite_f(attr_id, H5T_NATIVE_INTEGER, attrValue, int([1],HSIZE_T), hdferr)
@ -432,6 +430,7 @@ subroutine HDF5_addAttribute_real(loc_id,attrLabel,attrValue,path)
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_DOUBLE,space_id,attr_id,hdferr) call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_DOUBLE,space_id,attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5awrite_f(attr_id, H5T_NATIVE_DOUBLE, attrValue, int([1],HSIZE_T), hdferr) call h5awrite_f(attr_id, H5T_NATIVE_DOUBLE, attrValue, int([1],HSIZE_T), hdferr)
@ -455,12 +454,12 @@ subroutine HDF5_addAttribute_str_array(loc_id,attrLabel,attrValue,path)
character(len=*), intent(in), dimension(:) :: attrValue character(len=*), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
integer(HID_T) :: attr_id, space_id, filetype_id, memtype_id integer(HID_T) :: attr_id, space_id
integer :: hdferr
logical :: attrExists logical :: attrExists
integer :: hdferr,i
character(len=:), allocatable :: p character(len=:), allocatable :: p
type(C_PTR) :: f_ptr character(len=len(attrValue)+1,kind=C_CHAR), dimension(size(attrValue)), target :: attrValue_
character(len=:), allocatable, dimension(:), target :: attrValue_ type(C_PTR), target, dimension(size(attrValue)) :: ptr
if (present(path)) then if (present(path)) then
@ -469,34 +468,26 @@ subroutine HDF5_addAttribute_str_array(loc_id,attrLabel,attrValue,path)
p = '.' p = '.'
endif endif
attrValue_ = attrValue do i=1,size(attrValue)
attrValue_(i) = attrValue(i)//C_NULL_CHAR
ptr(i) = c_loc(attrValue_(i))
enddo
call h5tcopy_f(H5T_C_S1,filetype_id,hdferr) call h5screate_simple_f(1,shape(attrValue_,kind=HSIZE_T),space_id,hdferr,shape(attrValue_,kind=HSIZE_T))
if(hdferr < 0) error stop 'HDF5 error'
call h5tset_size_f(filetype_id, int(len(attrValue_)+1,C_SIZE_T),hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tcopy_f(H5T_FORTRAN_S1, memtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tset_size_f(memtype_id, int(len(attrValue_),C_SIZE_T), hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5screate_simple_f(1,shape(attrValue_,kind=HSIZE_T),space_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr) call h5aexists_by_name_f(loc_id,trim(p),attrLabel,attrExists,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
if (attrExists) then if (attrExists) then
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),filetype_id,space_id,attr_id,hdferr)
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_STRING,space_id,attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
f_ptr = c_loc(attrValue_) call h5awrite_f(attr_id, H5T_STRING, c_loc(ptr), hdferr) ! ptr instead of c_loc(ptr) works on gfortran, not on ifort
call h5awrite_f(attr_id, memtype_id, f_ptr, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5tclose_f(memtype_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5tclose_f(filetype_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call h5aclose_f(attr_id,hdferr) call h5aclose_f(attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5sclose_f(space_id,hdferr) call h5sclose_f(space_id,hdferr)
@ -539,6 +530,7 @@ subroutine HDF5_addAttribute_int_array(loc_id,attrLabel,attrValue,path)
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_INTEGER,space_id,attr_id,hdferr) call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_INTEGER,space_id,attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5awrite_f(attr_id, H5T_NATIVE_INTEGER, attrValue, array_size, hdferr) call h5awrite_f(attr_id, H5T_NATIVE_INTEGER, attrValue, array_size, hdferr)
@ -586,6 +578,7 @@ subroutine HDF5_addAttribute_real_array(loc_id,attrLabel,attrValue,path)
call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr) call h5adelete_by_name_f(loc_id, trim(p), attrLabel, hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
endif endif
call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_DOUBLE,space_id,attr_id,hdferr) call h5acreate_by_name_f(loc_id,trim(p),trim(attrLabel),H5T_NATIVE_DOUBLE,space_id,attr_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error' if(hdferr < 0) error stop 'HDF5 error'
call h5awrite_f(attr_id, H5T_NATIVE_DOUBLE, attrValue, array_size, hdferr) call h5awrite_f(attr_id, H5T_NATIVE_DOUBLE, attrValue, array_size, hdferr)

7
src/lattice.f90
View File

@ -1930,6 +1930,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
-1,-2,-1, -1, 1,-1, & -1,-2,-1, -1, 1,-1, &
-1, 1, 2, -1, 1,-1 & -1, 1, 2, -1, 1,-1 &
],pReal),shape(FCCTOHEX_SYSTEMTRANS)) ],pReal),shape(FCCTOHEX_SYSTEMTRANS))
real(pReal), dimension(4,fcc_Ntrans), parameter :: & real(pReal), dimension(4,fcc_Ntrans), parameter :: &
FCCTOBCC_SYSTEMTRANS = reshape([& FCCTOBCC_SYSTEMTRANS = reshape([&
0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3) 0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
@ -1978,7 +1979,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
0.0, 0.0, 1.0, 45.0 & 0.0, 0.0, 1.0, 45.0 &
],shape(FCCTOBCC_BAINROT)) ],shape(FCCTOBCC_BAINROT))
if (a_bcc > 0.0_pReal .and. a_fcc > 0.0_pReal .and. dEq0(cOverA)) then ! fcc -> bcc transformation if (a_bcc > 0.0_pReal .and. a_fcc > 0.0_pReal .and. dEq0(cOverA)) then ! fcc -> bcc
do i = 1,sum(Ntrans) do i = 1,sum(Ntrans)
call R%fromAxisAngle(FCCTOBCC_SYSTEMTRANS(:,i),degrees=.true.,P=1) call R%fromAxisAngle(FCCTOBCC_SYSTEMTRANS(:,i),degrees=.true.,P=1)
call B%fromAxisAngle(FCCTOBCC_BAINROT(:,i), degrees=.true.,P=1) call B%fromAxisAngle(FCCTOBCC_BAINROT(:,i), degrees=.true.,P=1)
@ -1992,7 +1993,7 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
Q(1:3,1:3,i) = matmul(R%asMatrix(),B%asMatrix()) Q(1:3,1:3,i) = matmul(R%asMatrix(),B%asMatrix())
S(1:3,1:3,i) = matmul(R%asMatrix(),U) - MATH_I3 S(1:3,1:3,i) = matmul(R%asMatrix(),U) - MATH_I3
enddo enddo
elseif (cOverA > 0.0_pReal .and. dEq0(a_bcc)) then ! fcc -> hex transformation elseif (cOverA > 0.0_pReal .and. dEq0(a_bcc)) then ! fcc -> hex
ss = MATH_I3 ss = MATH_I3
sd = MATH_I3 sd = MATH_I3
ss(1,3) = sqrt(2.0_pReal)/4.0_pReal ss(1,3) = sqrt(2.0_pReal)/4.0_pReal
@ -2062,7 +2063,7 @@ function getlabels(active,potential,system) result(labels)
enddo normal enddo normal
label(i:i) = ')' label(i:i) = ')'
labels(s) = label labels(a) = label
enddo activeSystems enddo activeSystems
enddo activeFamilies enddo activeFamilies

49
src/phase_mechanical_plastic_dislotungsten.f90
View File

@ -44,20 +44,22 @@ submodule(phase:plastic) dislotungsten
output output
logical :: & logical :: &
dipoleFormation !< flag indicating consideration of dipole formation dipoleFormation !< flag indicating consideration of dipole formation
end type !< container type for internal constitutive parameters character(len=:), allocatable, dimension(:) :: &
systems_sl
end type tParameters !< container type for internal constitutive parameters
type :: tDisloTungstenState type :: tDislotungstenState
real(pReal), dimension(:,:), pointer :: & real(pReal), dimension(:,:), pointer :: &
rho_mob, & rho_mob, &
rho_dip, & rho_dip, &
gamma_sl gamma_sl
end type tDisloTungstenState end type tDislotungstenState
type :: tDisloTungstendependentState type :: tDislotungstenDependentState
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, & Lambda_sl, &
tau_pass tau_pass
end type tDisloTungstendependentState end type tDislotungstenDependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
@ -65,7 +67,7 @@ submodule(phase:plastic) dislotungsten
type(tDisloTungstenState), allocatable, dimension(:) :: & type(tDisloTungstenState), allocatable, dimension(:) :: &
dotState, & dotState, &
state state
type(tDisloTungstendependentState), allocatable, dimension(:) :: dependentState type(tDisloTungstenDependentState), allocatable, dimension(:) :: dependentState
contains contains
@ -136,6 +138,7 @@ module function plastic_dislotungsten_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_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
if (phase_lattice(ph) == 'cI') then if (phase_lattice(ph) == 'cI') then
@ -394,28 +397,34 @@ module subroutine plastic_dislotungsten_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), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) do ou = 1,size(prm%output)
select case(trim(prm%output(ou)))
case('rho_mob') case('rho_mob')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_mob,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), &
'mobile dislocation density','1/m²') 'mobile dislocation density','1/m²',prm%systems_sl)
case('rho_dip') case('rho_dip')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_dip,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), &
'dislocation dipole density','1/m²') 'dislocation dipole density','1/m²',prm%systems_sl)
case('gamma_sl') case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma_sl,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
'plastic shear','1') 'plastic shear','1',prm%systems_sl)
case('Lambda_sl') case('Lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(o)), & call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), &
'mean free path for slip','m') 'mean free path for slip','m',prm%systems_sl)
case('tau_pass') case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(dst%tau_pass,group,trim(prm%output(o)), & call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
'threshold stress for slip','Pa') 'threshold stress for slip','Pa',prm%systems_sl)
end select end select
enddo outputsLoop
enddo
end associate end associate
end subroutine plastic_dislotungsten_results end subroutine plastic_dislotungsten_results

58
src/phase_mechanical_plastic_dislotwin.f90
View File

@ -82,6 +82,9 @@ submodule(phase:plastic) dislotwin
ExtendedDislocations, & !< consider split into partials for climb calculation ExtendedDislocations, & !< consider split into partials for climb calculation
fccTwinTransNucleation, & !< twinning and transformation models are for fcc fccTwinTransNucleation, & !< twinning and transformation models are for fcc
omitDipoles !< flag controlling consideration of dipole formation omitDipoles !< flag controlling consideration of dipole formation
character(len=:), allocatable, dimension(:) :: &
systems_sl, &
systems_tw
end type !< container type for internal constitutive parameters end type !< container type for internal constitutive parameters
type :: tDislotwinState type :: tDislotwinState
@ -93,7 +96,7 @@ submodule(phase:plastic) dislotwin
f_tr f_tr
end type tDislotwinState end type tDislotwinState
type :: tDislotwinMicrostructure type :: tDislotwinDependentState
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
@ -105,7 +108,7 @@ submodule(phase:plastic) dislotwin
V_tr, & !< volume of a new martensite disc V_tr, & !< volume of a new martensite disc
tau_r_tw, & !< stress to bring partials close together (twin) tau_r_tw, & !< stress to bring partials close together (twin)
tau_r_tr !< stress to bring partials close together (trans) tau_r_tr !< stress to bring partials close together (trans)
end type tDislotwinMicrostructure end type tDislotwinDependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! containers for parameters and state ! containers for parameters and state
@ -113,7 +116,7 @@ submodule(phase:plastic) dislotwin
type(tDislotwinState), allocatable, dimension(:) :: & type(tDislotwinState), allocatable, dimension(:) :: &
dotState, & dotState, &
state state
type(tDislotwinMicrostructure), allocatable, dimension(:) :: dependentState type(tDislotwinDependentState), allocatable, dimension(:) :: dependentState
contains contains
@ -192,6 +195,7 @@ module function plastic_dislotwin_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_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('h_sl-sl'),phase_lattice(ph)) prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('h_sl-sl'),phase_lattice(ph))
prm%forestProjection = lattice_forestProjection_edge(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%forestProjection = lattice_forestProjection_edge(N_sl,phase_lattice(ph),phase_cOverA(ph))
@ -259,6 +263,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray) N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(N_tw)) prm%sum_N_tw = sum(abs(N_tw))
twinActive: if (prm%sum_N_tw > 0) then twinActive: if (prm%sum_N_tw > 0) then
prm%systems_tw = lattice_labels_twin(N_tw,phase_lattice(ph))
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase_lattice(ph),phase_cOverA(ph)) prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,pl%get_as1dFloat('h_tw-tw'), & prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,pl%get_as1dFloat('h_tw-tw'), &
phase_lattice(ph)) phase_lattice(ph))
@ -787,44 +792,49 @@ module subroutine plastic_dislotwin_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), dst => dependentState(ph)) associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) do ou = 1,size(prm%output)
select case(trim(prm%output(ou)))
case('rho_mob') case('rho_mob')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_mob,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), &
'mobile dislocation density','1/m²') 'mobile dislocation density','1/m²',prm%systems_sl)
case('rho_dip') case('rho_dip')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_dip,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), &
'dislocation dipole density','1/m²') 'dislocation dipole density','1/m²',prm%systems_sl)
case('gamma_sl') case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma_sl,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
'plastic shear','1') 'plastic shear','1',prm%systems_sl)
case('Lambda_sl') case('Lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(o)), & call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), &
'mean free path for slip','m') 'mean free path for slip','m',prm%systems_sl)
case('tau_pass') case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(dst%tau_pass,group,trim(prm%output(o)), & call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
'passing stress for slip','Pa') 'passing stress for slip','Pa',prm%systems_sl)
case('f_tw') case('f_tw')
if(prm%sum_N_tw>0) call results_writeDataset(stt%f_tw,group,trim(prm%output(o)), & call results_writeDataset(stt%f_tw,group,trim(prm%output(ou)), &
'twinned volume fraction','m³/m³') 'twinned volume fraction','m³/m³',prm%systems_tw)
case('Lambda_tw') case('Lambda_tw')
if(prm%sum_N_tw>0) call results_writeDataset(dst%Lambda_tw,group,trim(prm%output(o)), & call results_writeDataset(dst%Lambda_tw,group,trim(prm%output(ou)), &
'mean free path for twinning','m') 'mean free path for twinning','m',prm%systems_tw)
case('tau_hat_tw') case('tau_hat_tw')
if(prm%sum_N_tw>0) call results_writeDataset(dst%tau_hat_tw,group,trim(prm%output(o)), & call results_writeDataset(dst%tau_hat_tw,group,trim(prm%output(ou)), &
'threshold stress for twinning','Pa') 'threshold stress for twinning','Pa',prm%systems_tw)
case('f_tr') case('f_tr')
if(prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(o)), & if(prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), &
'martensite volume fraction','m³/m³') 'martensite volume fraction','m³/m³')
end select end select
enddo outputsLoop
enddo
end associate end associate
end subroutine plastic_dislotwin_results end subroutine plastic_dislotwin_results

42
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -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)
select case(trim(prm%output(ou)))
case ('xi') case ('xi')
if(prm%sum_N_sl>0) call results_writeDataset(stt%xi,group,trim(prm%output(o)), & call results_writeDataset(stt%xi,group,trim(prm%output(ou)), &
'resistance against plastic slip','Pa') 'resistance against plastic slip','Pa',prm%systems_sl)
case ('chi') case ('chi')
if(prm%sum_N_sl>0) call results_writeDataset(stt%chi,group,trim(prm%output(o)), & call results_writeDataset(stt%chi,group,trim(prm%output(ou)), &
'back stress','Pa') 'back stress','Pa',prm%systems_sl)
case ('sgn(gamma)') case ('sgn(gamma)')
if(prm%sum_N_sl>0) call results_writeDataset(int(stt%sgn_gamma),group,trim(prm%output(o)), & call results_writeDataset(int(stt%sgn_gamma),group,trim(prm%output(ou)), &
'sense of shear','1') 'sense of shear','1',prm%systems_sl)
case ('chi_0') case ('chi_0')
if(prm%sum_N_sl>0) call results_writeDataset(stt%chi_0,group,trim(prm%output(o)), & call results_writeDataset(stt%chi_0,group,trim(prm%output(ou)), &
'back stress at last switch of stress sense','Pa') 'back stress at last switch of stress sense','Pa',prm%systems_sl)
case ('gamma_0') case ('gamma_0')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma_0,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma_0,group,trim(prm%output(ou)), &
'plastic shear at last switch of stress sense','1') 'plastic shear at last switch of stress sense','1',prm%systems_sl)
case ('gamma') case ('gamma')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma,group,trim(prm%output(ou)), &
'plastic shear','1') 'plastic shear','1',prm%systems_sl)
end select end select
enddo outputsLoop
enddo
end associate end associate
end subroutine plastic_kinehardening_results end subroutine plastic_kinehardening_results

108
src/phase_mechanical_plastic_nonlocal.f90
View File

@ -120,13 +120,15 @@ submodule(phase:plastic) nonlocal
logical :: & logical :: &
shortRangeStressCorrection, & !< use of short range stress correction by excess density gradient term shortRangeStressCorrection, & !< use of short range stress correction by excess density gradient term
nonSchmidActive = .false. nonSchmidActive = .false.
character(len=:), allocatable, dimension(:) :: &
systems_sl
end type tParameters end type tParameters
type :: tNonlocalMicrostructure type :: tNonlocalDependentState
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &
tau_pass, & tau_pass, &
tau_Back tau_Back
end type tNonlocalMicrostructure end type tNonlocalDependentState
type :: tNonlocalState type :: tNonlocalState
real(pReal), pointer, dimension(:,:) :: & real(pReal), pointer, dimension(:,:) :: &
@ -162,7 +164,7 @@ submodule(phase:plastic) nonlocal
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters
type(tNonlocalMicrostructure), dimension(:), allocatable :: microstructure type(tNonlocalDependentState), dimension(:), allocatable :: dependentState
contains contains
@ -219,13 +221,13 @@ module function plastic_nonlocal_init() result(myPlasticity)
allocate(state0(phases%length)) allocate(state0(phases%length))
allocate(dotState(phases%length)) allocate(dotState(phases%length))
allocate(deltaState(phases%length)) allocate(deltaState(phases%length))
allocate(microstructure(phases%length)) allocate(dependentState(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), & associate(prm => param(ph), dot => dotState(ph), stt => state(ph), &
st0 => state0(ph), del => deltaState(ph), dst => microstructure(ph)) st0 => state0(ph), del => deltaState(ph), dst => dependentState(ph))
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanical') mech => phase%get('mechanical')
@ -246,6 +248,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
ini%N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray) ini%N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(ini%N_sl)) prm%sum_N_sl = sum(abs(ini%N_sl))
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%systems_sl = lattice_labels_slip(ini%N_sl,phase_lattice(ph))
prm%P_sl = lattice_SchmidMatrix_slip(ini%N_sl,phase_lattice(ph), phase_cOverA(ph)) prm%P_sl = lattice_SchmidMatrix_slip(ini%N_sl,phase_lattice(ph), phase_cOverA(ph))
if (phase_lattice(ph) == 'cI') then if (phase_lattice(ph) == 'cI') then
@ -604,7 +607,7 @@ module subroutine nonlocal_dependentState(ph, en, ip, el)
real(pReal), dimension(3,param(ph)%sum_N_sl,2) :: & real(pReal), dimension(3,param(ph)%sum_N_sl,2) :: &
m ! direction of dislocation motion m ! direction of dislocation motion
associate(prm => param(ph),dst => microstructure(ph), stt => state(ph)) associate(prm => param(ph),dst => dependentState(ph), stt => state(ph))
rho = getRho(ph,en) rho = getRho(ph,en)
@ -771,7 +774,7 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
tau, & !< resolved shear stress including backstress terms tau, & !< resolved shear stress including backstress terms
dot_gamma !< shear rate dot_gamma !< shear rate
associate(prm => param(ph),dst=>microstructure(ph),stt=>state(ph)) associate(prm => param(ph),dst=>dependentState(ph),stt=>state(ph))
!*** shortcut to state variables !*** shortcut to state variables
rho = getRho(ph,en) rho = getRho(ph,en)
@ -867,7 +870,7 @@ module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
dUpperOld, & ! old maximum stable dipole distance for edges and screws dUpperOld, & ! old maximum stable dipole distance for edges and screws
deltaDUpper ! change in maximum stable dipole distance for edges and screws deltaDUpper ! change in maximum stable dipole distance for edges and screws
associate(prm => param(ph),dst => microstructure(ph),del => deltaState(ph)) associate(prm => param(ph),dst => dependentState(ph),del => deltaState(ph))
!*** shortcut to state variables !*** shortcut to state variables
forall (s = 1:prm%sum_N_sl, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en) forall (s = 1:prm%sum_N_sl, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en)
@ -979,7 +982,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
return return
endif endif
associate(prm => param(ph), dst => microstructure(ph), dot => dotState(ph), stt => state(ph)) associate(prm => param(ph), dst => dependentState(ph), dot => dotState(ph), stt => state(ph))
tau = 0.0_pReal tau = 0.0_pReal
dot_gamma = 0.0_pReal dot_gamma = 0.0_pReal
@ -1176,7 +1179,7 @@ function rhoDotFlux(timestep,ph,en,ip,el)
associate(prm => param(ph), & associate(prm => param(ph), &
dst => microstructure(ph), & dst => dependentState(ph), &
dot => dotState(ph), & dot => dotState(ph), &
stt => state(ph)) stt => state(ph))
ns = prm%sum_N_sl ns = prm%sum_N_sl
@ -1458,71 +1461,76 @@ end subroutine plastic_nonlocal_updateCompatibility
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_results(ph,group) module subroutine plastic_nonlocal_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),dst => dependentState(ph),stt=>state(ph))
do ou = 1,size(prm%output)
select case(trim(prm%output(ou)))
associate(prm => param(ph),dst => microstructure(ph),stt=>state(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('rho_u_ed_pos') case('rho_u_ed_pos')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_mob_edg_pos,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_mob_edg_pos,group,trim(prm%output(ou)), &
'positive mobile edge density','1/m²') 'positive mobile edge density','1/m²', prm%systems_sl)
case('rho_b_ed_pos') case('rho_b_ed_pos')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_imm_edg_pos,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_imm_edg_pos,group,trim(prm%output(ou)), &
'positive immobile edge density','1/m²') 'positive immobile edge density','1/m²', prm%systems_sl)
case('rho_u_ed_neg') case('rho_u_ed_neg')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_mob_edg_neg,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_mob_edg_neg,group,trim(prm%output(ou)), &
'negative mobile edge density','1/m²') 'negative mobile edge density','1/m²', prm%systems_sl)
case('rho_b_ed_neg') case('rho_b_ed_neg')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_imm_edg_neg,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_imm_edg_neg,group,trim(prm%output(ou)), &
'negative immobile edge density','1/m²') 'negative immobile edge density','1/m²', prm%systems_sl)
case('rho_d_ed') case('rho_d_ed')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_dip_edg,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_dip_edg,group,trim(prm%output(ou)), &
'edge dipole density','1/m²') 'edge dipole density','1/m²', prm%systems_sl)
case('rho_u_sc_pos') case('rho_u_sc_pos')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_mob_scr_pos,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_mob_scr_pos,group,trim(prm%output(ou)), &
'positive mobile screw density','1/m²') 'positive mobile screw density','1/m²', prm%systems_sl)
case('rho_b_sc_pos') case('rho_b_sc_pos')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_imm_scr_pos,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_imm_scr_pos,group,trim(prm%output(ou)), &
'positive immobile screw density','1/m²') 'positive immobile screw density','1/m²', prm%systems_sl)
case('rho_u_sc_neg') case('rho_u_sc_neg')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_mob_scr_neg,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_mob_scr_neg,group,trim(prm%output(ou)), &
'negative mobile screw density','1/m²') 'negative mobile screw density','1/m²', prm%systems_sl)
case('rho_b_sc_neg') case('rho_b_sc_neg')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_sgl_imm_scr_neg,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_sgl_imm_scr_neg,group,trim(prm%output(ou)), &
'negative immobile screw density','1/m²') 'negative immobile screw density','1/m²', prm%systems_sl)
case('rho_d_sc') case('rho_d_sc')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_dip_scr,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_dip_scr,group,trim(prm%output(ou)), &
'screw dipole density','1/m²') 'screw dipole density','1/m²', prm%systems_sl)
case('rho_f') case('rho_f')
if(prm%sum_N_sl>0) call results_writeDataset(stt%rho_forest,group,trim(prm%output(o)), & call results_writeDataset(stt%rho_forest,group,trim(prm%output(ou)), &
'forest density','1/m²') 'forest density','1/m²', prm%systems_sl)
case('v_ed_pos') case('v_ed_pos')
if(prm%sum_N_sl>0) call results_writeDataset(stt%v_edg_pos,group,trim(prm%output(o)), & call results_writeDataset(stt%v_edg_pos,group,trim(prm%output(ou)), &
'positive edge velocity','m/s') 'positive edge velocity','m/s', prm%systems_sl)
case('v_ed_neg') case('v_ed_neg')
if(prm%sum_N_sl>0) call results_writeDataset(stt%v_edg_neg,group,trim(prm%output(o)), & call results_writeDataset(stt%v_edg_neg,group,trim(prm%output(ou)), &
'negative edge velocity','m/s') 'negative edge velocity','m/s', prm%systems_sl)
case('v_sc_pos') case('v_sc_pos')
if(prm%sum_N_sl>0) call results_writeDataset(stt%v_scr_pos,group,trim(prm%output(o)), & call results_writeDataset(stt%v_scr_pos,group,trim(prm%output(ou)), &
'positive srew velocity','m/s') 'positive srew velocity','m/s', prm%systems_sl)
case('v_sc_neg') case('v_sc_neg')
if(prm%sum_N_sl>0) call results_writeDataset(stt%v_scr_neg,group,trim(prm%output(o)), & call results_writeDataset(stt%v_scr_neg,group,trim(prm%output(ou)), &
'negative screw velocity','m/s') 'negative screw velocity','m/s', prm%systems_sl)
case('gamma') case('gamma')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma,group,trim(prm%output(ou)), &
'plastic shear','1') 'plastic shear','1', prm%systems_sl)
case('tau_pass') case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(dst%tau_pass,group,trim(prm%output(o)), & call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
'passing stress for slip','Pa') 'passing stress for slip','Pa', prm%systems_sl)
end select end select
enddo outputsLoop
enddo
end associate end associate
end subroutine plastic_nonlocal_results end subroutine plastic_nonlocal_results

43
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -42,6 +42,9 @@ submodule(phase:plastic) phenopowerlaw
nonSchmidActive = .false. nonSchmidActive = .false.
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
output output
character(len=:), allocatable, dimension(:) :: &
systems_sl, &
systems_tw
end type tParameters end type tParameters
type :: tPhenopowerlawState type :: tPhenopowerlawState
@ -115,6 +118,7 @@ module function plastic_phenopowerlaw_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_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph)) prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase_lattice(ph),phase_cOverA(ph))
if (phase_lattice(ph) == 'cI') then if (phase_lattice(ph) == 'cI') then
@ -126,8 +130,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
prm%P_nS_pos = prm%P_sl prm%P_nS_pos = prm%P_sl
prm%P_nS_neg = prm%P_sl prm%P_nS_neg = prm%P_sl
endif endif
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('h_sl-sl'), & prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('h_sl-sl'),phase_lattice(ph))
phase_lattice(ph))
xi_0_sl = pl%get_as1dFloat('xi_0_sl', requiredSize=size(N_sl)) xi_0_sl = pl%get_as1dFloat('xi_0_sl', requiredSize=size(N_sl))
prm%xi_inf_sl = pl%get_as1dFloat('xi_inf_sl', requiredSize=size(N_sl)) prm%xi_inf_sl = pl%get_as1dFloat('xi_inf_sl', requiredSize=size(N_sl))
@ -162,11 +165,10 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray) N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
prm%sum_N_tw = sum(abs(N_tw)) prm%sum_N_tw = sum(abs(N_tw))
twinActive: if (prm%sum_N_tw > 0) then twinActive: if (prm%sum_N_tw > 0) then
prm%systems_tw = lattice_labels_twin(N_tw,phase_lattice(ph))
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase_lattice(ph),phase_cOverA(ph)) prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,pl%get_as1dFloat('h_tw-tw'), & prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,pl%get_as1dFloat('h_tw-tw'),phase_lattice(ph))
phase_lattice(ph)) prm%gamma_char = lattice_characteristicShear_twin(N_tw,phase_lattice(ph),phase_cOverA(ph))
prm%gamma_char = lattice_characteristicShear_twin(N_tw,phase_lattice(ph),&
phase_cOverA(ph))
xi_0_tw = pl%get_as1dFloat('xi_0_tw',requiredSize=size(N_tw)) xi_0_tw = pl%get_as1dFloat('xi_0_tw',requiredSize=size(N_tw))
@ -370,28 +372,33 @@ module subroutine plastic_phenopowerlaw_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)
select case(trim(prm%output(ou)))
case('xi_sl') case('xi_sl')
if(prm%sum_N_sl>0) call results_writeDataset(stt%xi_sl,group,trim(prm%output(o)), & call results_writeDataset(stt%xi_sl,group,trim(prm%output(ou)), &
'resistance against plastic slip','Pa') 'resistance against plastic slip','Pa',prm%systems_sl)
case('gamma_sl') case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(stt%gamma_sl,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
'plastic shear','1') 'plastic shear','1',prm%systems_sl)
case('xi_tw') case('xi_tw')
if(prm%sum_N_tw>0) call results_writeDataset(stt%xi_tw,group,trim(prm%output(o)), & call results_writeDataset(stt%xi_tw,group,trim(prm%output(ou)), &
'resistance against twinning','Pa') 'resistance against twinning','Pa',prm%systems_tw)
case('gamma_tw') case('gamma_tw')
if(prm%sum_N_tw>0) call results_writeDataset(stt%gamma_tw,group,trim(prm%output(o)), & call results_writeDataset(stt%gamma_tw,group,trim(prm%output(ou)), &
'twinning shear','1') 'twinning shear','1',prm%systems_tw)
end select end select
enddo outputsLoop
enddo
end associate end associate
end subroutine plastic_phenopowerlaw_results end subroutine plastic_phenopowerlaw_results

51
src/results.f90
View File

@ -34,10 +34,11 @@ module results
end interface results_writeDataset end interface results_writeDataset
interface results_addAttribute interface results_addAttribute
module procedure results_addAttribute_real
module procedure results_addAttribute_int
module procedure results_addAttribute_str module procedure results_addAttribute_str
module procedure results_addAttribute_int
module procedure results_addAttribute_real
module procedure results_addAttribute_str_array
module procedure results_addAttribute_int_array module procedure results_addAttribute_int_array
module procedure results_addAttribute_real_array module procedure results_addAttribute_real_array
end interface results_addAttribute end interface results_addAttribute
@ -210,7 +211,7 @@ subroutine results_setLink(path,link)
end subroutine results_setLink end subroutine results_setLink
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds a string attribute to an object in the results file !> @brief Add a string attribute to an object in the results file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str(attrLabel,attrValue,path) subroutine results_addAttribute_str(attrLabel,attrValue,path)
@ -228,7 +229,7 @@ end subroutine results_addAttribute_str
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds an integer attribute an object in the results file !> @brief Add an integer attribute an object in the results file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int(attrLabel,attrValue,path) subroutine results_addAttribute_int(attrLabel,attrValue,path)
@ -247,7 +248,7 @@ end subroutine results_addAttribute_int
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds a real attribute an object in the results file !> @brief Add a real attribute an object in the results file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real(attrLabel,attrValue,path) subroutine results_addAttribute_real(attrLabel,attrValue,path)
@ -266,7 +267,26 @@ end subroutine results_addAttribute_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds an integer array attribute an object in the results file !> @brief Add a string array attribute an object in the results file.
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel
character(len=*), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_str_array
!--------------------------------------------------------------------------------------------------
!> @brief Add an integer array attribute an object in the results file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int_array(attrLabel,attrValue,path) subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
@ -285,7 +305,7 @@ end subroutine results_addAttribute_int_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds a real array attribute an object in the results file !> @brief Add a real array attribute an object in the results file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real_array(attrLabel,attrValue,path) subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
@ -336,7 +356,6 @@ subroutine results_writeDataset_str(dataset,group,label,description)
end subroutine results_writeDataset_str end subroutine results_writeDataset_str
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store real scalar dataset with associated metadata. !> @brief Store real scalar dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -360,18 +379,24 @@ end subroutine results_writeScalarDataset_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store real vector dataset with associated metadata. !> @brief Store real vector dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_real(dataset,group,label,description,SIunit) subroutine results_writeVectorDataset_real(dataset,group,label,description,SIunit,systems)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
character(len=*), intent(in), dimension(:), optional :: systems
real(pReal), intent(in), dimension(:,:) :: dataset real(pReal), intent(in), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
if (present(systems)) then
if (size(systems)*size(dataset,2) == 0 ) return !ToDo: maybe also implement for other results_write (not sure about scalar)
endif
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
if (present(systems)) call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_real end subroutine results_writeVectorDataset_real
@ -420,18 +445,24 @@ end subroutine results_writeTensorDataset_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store integer vector dataset with associated metadata. !> @brief Store integer vector dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_int(dataset,group,label,description,SIunit) subroutine results_writeVectorDataset_int(dataset,group,label,description,SIunit,systems)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
character(len=*), intent(in), dimension(:), optional :: systems
integer, intent(in), dimension(:,:) :: dataset integer, intent(in), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
if (present(systems)) then
if (size(systems)*size(dataset,2) == 0 ) return !ToDo: maybe also implement for other results_write (not sure about scalar)
endif
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
if (present(systems)) call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int end subroutine results_writeVectorDataset_int