Merge branch 'homogenization-output' into 'development'

extra output in phase_thermal and homogenization_mechanical

See merge request damask/DAMASK!530
This commit is contained in:
Sharan Roongta 2022-02-22 11:08:27 +00:00
commit 3657b2316d
28 changed files with 199 additions and 110 deletions

@ -1 +1 @@
Subproject commit 857b994fb7222ab15a2b8c4ded2bba8787d7feb6 Subproject commit 7218e3a52b863665544a541ef1f1ad6ef7bca98c

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@ -0,0 +1 @@
N_constituents: 8

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@ -1,4 +0,0 @@
[Parallel3]
mech isostrain
nconstituents 3
mapping sum # or 'parallel'

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@ -0,0 +1 @@
N_constituents: 2

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@ -0,0 +1,3 @@
# For single point calculations, requires N_constituents = 1
type: pass
output: ['T']

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@ -0,0 +1 @@
N_constituents: 1

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@ -1,10 +1,8 @@
8Grains: # For Relaxed Grain Cluster homogenization, requires N_constituents = 8
N_constituents: 8 type: RGC
mechanical: D_alpha: [4.0e-06, 4.0e-06, 2.0e-06]
type: RGC a_g: [0.0, 0.0, 0.0]
D_alpha: [4.0e-06, 4.0e-06, 2.0e-06] c_alpha: 2.0
a_g: [0.0, 0.0, 0.0] cluster_size: [2, 2, 2]
c_alpha: 2.0 output: [M, Delta_V, avg_dot_a, max_dot_a]
cluster_size: [2, 2, 2] xi_alpha: 10.0
output: [M, Delta_V, avg_dot_a, max_dot_a]
xi_alpha: 10.0

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@ -1,3 +0,0 @@
Taylor2:
N_constituents: 2
mechanical: {type: isostrain}

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@ -0,0 +1,3 @@
# For Taylor homogenization with N_constituents > 1
type: isostrain
output: ['F', 'P']

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@ -0,0 +1,3 @@
# For single point calculations, requires N_constituents = 1
type: pass
output: ['F', 'P']

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@ -0,0 +1,3 @@
# For homogenization with N_constituents > 1
type: isotemperature
output: ['T']

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@ -0,0 +1,3 @@
# For single point calculations, requires N_constituents = 1
type: pass
output: ['T']

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@ -5,6 +5,8 @@ references:
fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K) fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 2.380e+2 K_11: 2.380e+2
K_11,T: 2.068e-3 K_11,T: 2.068e-3
K_11,T^2: -7.765e-5 K_11,T^2: -7.765e-5

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@ -5,6 +5,8 @@ references:
fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K) fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/copper.htm - https://www.mit.edu/~6.777/matprops/copper.htm
output: [T]
K_11: 4.039e+2 K_11: 4.039e+2
K_11,T: -8.119e-2 K_11,T: -8.119e-2
K_11,T^2: 1.454e-5 K_11,T^2: 1.454e-5

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@ -5,6 +5,8 @@ references:
fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K) fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 8.055e+1 K_11: 8.055e+1
K_11,T: -1.051e-1 K_11,T: -1.051e-1
K_11,T^2: 5.464e-5 K_11,T^2: 5.464e-5

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@ -5,6 +5,8 @@ references:
fit to Tab. 35R (T_min=150K, T_max=500K) fit to Tab. 35R (T_min=150K, T_max=500K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 9.132e+1 K_11: 9.132e+1
K_11,T: -1.525e-1 K_11,T: -1.525e-1
K_11,T^2: 3.053e-4 K_11,T^2: 3.053e-4

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@ -5,6 +5,8 @@ references:
fit to Tab. 61R (T_min=100K, T_max=400K) fit to Tab. 61R (T_min=100K, T_max=400K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
output: [T]
K_11: 7.414e+1 K_11: 7.414e+1
K_11,T: -6.465e-2 K_11,T: -6.465e-2
K_11,T^2: 2.066e-4 K_11,T^2: 2.066e-4

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@ -5,6 +5,8 @@ references:
fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K) fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/tungsten.htm - https://www.mit.edu/~6.777/matprops/tungsten.htm
output: [T]
K_11: 1.758e+2 K_11: 1.758e+2
K_11,T: -1.605e-1 K_11,T: -1.605e-1
K_11,T^2: 1.160e-4 K_11,T^2: 1.160e-4

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@ -6,9 +6,10 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module homogenization module homogenization
use prec use prec
use math
use constants
use IO use IO
use config use config
use math
use material use material
use phase use phase
use discretization use discretization
@ -66,15 +67,13 @@ module homogenization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
interface interface
module subroutine mechanical_init(num_homog) module subroutine mechanical_init()
class(tNode), pointer, intent(in) :: &
num_homog !< pointer to mechanical homogenization numerics data
end subroutine mechanical_init end subroutine mechanical_init
module subroutine thermal_init module subroutine thermal_init()
end subroutine thermal_init end subroutine thermal_init
module subroutine damage_init module subroutine damage_init()
end subroutine damage_init end subroutine damage_init
module subroutine mechanical_partition(subF,ce) module subroutine mechanical_partition(subF,ce)
@ -204,7 +203,7 @@ subroutine homogenization_init()
allocate(homogState (size(material_name_homogenization))) allocate(homogState (size(material_name_homogenization)))
allocate(damageState_h (size(material_name_homogenization))) allocate(damageState_h (size(material_name_homogenization)))
call material_parseHomogenization() call parseHomogenization()
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict) num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict) num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
@ -212,7 +211,7 @@ subroutine homogenization_init()
num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10) num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10)
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate') if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
call mechanical_init(num_homog) call mechanical_init()
call thermal_init() call thermal_init()
call damage_init() call damage_init()
@ -326,10 +325,10 @@ subroutine homogenization_mechanical_response2(Delta_t,FEsolving_execIP,FEsolvin
ho = material_homogenizationID(ce) ho = material_homogenizationID(ce)
do co = 1, homogenization_Nconstituents(ho) do co = 1, homogenization_Nconstituents(ho)
call crystallite_orientations(co,ip,el) call crystallite_orientations(co,ip,el)
enddo end do
call mechanical_homogenize(Delta_t,ce) call mechanical_homogenize(Delta_t,ce)
enddo IpLooping3 end do IpLooping3
enddo elementLooping3 end do elementLooping3
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
@ -447,7 +446,7 @@ end subroutine homogenization_restartRead
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part from the material configuration !> @brief parses the homogenization part from the material configuration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization subroutine parseHomogenization
class(tNode), pointer :: & class(tNode), pointer :: &
material_homogenization, & material_homogenization, &
@ -459,8 +458,8 @@ subroutine material_parseHomogenization
material_homogenization => config_material%get('homogenization') material_homogenization => config_material%get('homogenization')
allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID) allocate(thermal_type(size(material_name_homogenization)),source=THERMAL_isothermal_ID)
allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID) allocate(damage_type (size(material_name_homogenization)),source=DAMAGE_none_ID)
do h=1, size(material_name_homogenization) do h=1, size(material_name_homogenization)
homog => material_homogenization%get(h) homog => material_homogenization%get(h)
@ -468,7 +467,7 @@ subroutine material_parseHomogenization
if (homog%contains('thermal')) then if (homog%contains('thermal')) then
homogThermal => homog%get('thermal') homogThermal => homog%get('thermal')
select case (homogThermal%get_asString('type')) select case (homogThermal%get_asString('type'))
case('pass') case('pass','isotemperature')
thermal_type(h) = THERMAL_conduction_ID thermal_type(h) = THERMAL_conduction_ID
case default case default
call IO_error(500,ext_msg=homogThermal%get_asString('type')) call IO_error(500,ext_msg=homogThermal%get_asString('type'))
@ -486,7 +485,7 @@ subroutine material_parseHomogenization
endif endif
enddo enddo
end subroutine material_parseHomogenization end subroutine parseHomogenization
end module homogenization end module homogenization

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@ -7,15 +7,13 @@ submodule(homogenization) mechanical
interface interface
module subroutine pass_init module subroutine pass_init()
end subroutine pass_init end subroutine pass_init
module subroutine isostrain_init module subroutine isostrain_init()
end subroutine isostrain_init end subroutine isostrain_init
module subroutine RGC_init(num_homogMech) module subroutine RGC_init()
class(tNode), pointer, intent(in) :: &
num_homogMech !< pointer to mechanical homogenization numerics data
end subroutine RGC_init end subroutine RGC_init
@ -52,6 +50,12 @@ submodule(homogenization) mechanical
end interface end interface
type :: tOutput !< requested output (per phase)
character(len=pStringLen), allocatable, dimension(:) :: &
label
end type tOutput
type(tOutput), allocatable, dimension(:) :: output_mechanical
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable :: & integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable :: &
homogenization_type !< type of each homogenization homogenization_type !< type of each homogenization
@ -60,27 +64,20 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Allocate variables and set parameters. !> @brief Allocate variables and set parameters.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine mechanical_init(num_homog) module subroutine mechanical_init()
class(tNode), pointer, intent(in) :: &
num_homog
class(tNode), pointer :: &
num_homogMech
print'(/,1x,a)', '<<<+- homogenization:mechanical init -+>>>' print'(/,1x,a)', '<<<+- homogenization:mechanical init -+>>>'
call material_parseHomogenization2() call parseMechanical()
allocate(homogenization_dPdF(3,3,3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal) allocate(homogenization_dPdF(3,3,3,3,discretization_Ncells), source=0.0_pReal)
homogenization_F0 = spread(math_I3,3,discretization_nIPs*discretization_Nelems) ! initialize to identity homogenization_F0 = spread(math_I3,3,discretization_Ncells)
homogenization_F = homogenization_F0 ! initialize to identity homogenization_F = homogenization_F0
allocate(homogenization_P(3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal) allocate(homogenization_P(3,3,discretization_Ncells),source=0.0_pReal)
num_homogMech => num_homog%get('mech',defaultVal=emptyDict) if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call pass_init()
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call pass_init if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call isostrain_init()
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call isostrain_init if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call RGC_init()
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call RGC_init(num_homogMech)
end subroutine mechanical_init end subroutine mechanical_init
@ -185,8 +182,10 @@ module subroutine mechanical_results(group_base,ho)
character(len=*), intent(in) :: group_base character(len=*), intent(in) :: group_base
integer, intent(in) :: ho integer, intent(in) :: ho
integer :: ou
character(len=:), allocatable :: group character(len=:), allocatable :: group
group = trim(group_base)//'/mechanical' group = trim(group_base)//'/mechanical'
call results_closeGroup(results_addGroup(group)) call results_closeGroup(results_addGroup(group))
@ -197,12 +196,17 @@ module subroutine mechanical_results(group_base,ho)
end select end select
!temp = reshape(homogenization_F,[3,3,discretization_nIPs*discretization_Nelems]) do ou = 1, size(output_mechanical(1)%label)
!call results_writeDataset(group,temp,'F',&
! 'deformation gradient','1') select case (output_mechanical(ho)%label(ou))
!temp = reshape(homogenization_P,[3,3,discretization_nIPs*discretization_Nelems]) case('F')
!call results_writeDataset(group,temp,'P',& call results_writeDataset(reshape(homogenization_F,[3,3,discretization_nCells]),group,'F', &
! '1st Piola-Kirchhoff stress','Pa') 'deformation gradient','1')
case('P')
call results_writeDataset(reshape(homogenization_P,[3,3,discretization_nCells]),group,'P', &
'deformation gradient','1')
end select
end do
end subroutine mechanical_results end subroutine mechanical_results
@ -210,35 +214,42 @@ end subroutine mechanical_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part from the material configuration !> @brief parses the homogenization part from the material configuration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization2() subroutine parseMechanical()
class(tNode), pointer :: & class(tNode), pointer :: &
material_homogenization, & material_homogenization, &
homog, & homog, &
homogMech mechanical
integer :: ho
integer :: h
material_homogenization => config_material%get('homogenization') material_homogenization => config_material%get('homogenization')
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID) allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
allocate(output_mechanical(size(material_name_homogenization)))
do h=1, size(material_name_homogenization) do ho=1, size(material_name_homogenization)
homog => material_homogenization%get(h) homog => material_homogenization%get(ho)
homogMech => homog%get('mechanical') mechanical => homog%get('mechanical')
select case (homogMech%get_asString('type')) #if defined(__GFORTRAN__)
output_mechanical(ho)%label = output_as1dString(mechanical)
#else
output_mechanical(ho)%label = mechanical%get_as1dString('output',defaultVal=emptyStringArray)
#endif
select case (mechanical%get_asString('type'))
case('pass') case('pass')
homogenization_type(h) = HOMOGENIZATION_NONE_ID homogenization_type(ho) = HOMOGENIZATION_NONE_ID
case('isostrain') case('isostrain')
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID homogenization_type(ho) = HOMOGENIZATION_ISOSTRAIN_ID
case('RGC') case('RGC')
homogenization_type(h) = HOMOGENIZATION_RGC_ID homogenization_type(ho) = HOMOGENIZATION_RGC_ID
case default case default
call IO_error(500,ext_msg=homogMech%get_asString('type')) call IO_error(500,ext_msg=mechanical%get_asString('type'))
end select end select
end do end do
end subroutine material_parseHomogenization2 end subroutine parseMechanical
end submodule mechanical end submodule mechanical

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@ -71,10 +71,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields, reads information from material configuration file !> @brief allocates all necessary fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine RGC_init(num_homogMech) module subroutine RGC_init()
class(tNode), pointer, intent(in) :: &
num_homogMech !< pointer to mechanical homogenization numerics data
integer :: & integer :: &
ho, & ho, &
@ -82,6 +79,8 @@ module subroutine RGC_init(num_homogMech)
sizeState, nIntFaceTot sizeState, nIntFaceTot
class (tNode), pointer :: & class (tNode), pointer :: &
num_homogenization, &
num_mechanical, &
num_RGC, & ! pointer to RGC numerics data num_RGC, & ! pointer to RGC numerics data
material_homogenization, & material_homogenization, &
homog, & homog, &
@ -105,7 +104,9 @@ module subroutine RGC_init(num_homogMech)
allocate(state0(material_homogenization%length)) allocate(state0(material_homogenization%length))
allocate(dependentState(material_homogenization%length)) allocate(dependentState(material_homogenization%length))
num_RGC => num_homogMech%get('RGC',defaultVal=emptyDict) num_homogenization => config_numerics%get('homogenization',defaultVal=emptyDict)
num_mechanical => num_homogenization%get('mechanical',defaultVal=emptyDict)
num_RGC => num_mechanical%get('RGC',defaultVal=emptyDict)
num%atol = num_RGC%get_asFloat('atol', defaultVal=1.0e+4_pReal) num%atol = num_RGC%get_asFloat('atol', defaultVal=1.0e+4_pReal)
num%rtol = num_RGC%get_asFloat('rtol', defaultVal=1.0e-3_pReal) num%rtol = num_RGC%get_asFloat('rtol', defaultVal=1.0e-3_pReal)

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@ -52,10 +52,11 @@ module subroutine thermal_init()
allocate(current(configHomogenizations%length)) allocate(current(configHomogenizations%length))
do ho = 1, configHomogenizations%length do ho = 1, configHomogenizations%length
allocate(current(ho)%T(count(material_homogenizationID==ho)), source=300.0_pReal) allocate(current(ho)%T(count(material_homogenizationID==ho)), source=T_ROOM)
allocate(current(ho)%dot_T(count(material_homogenizationID==ho)), source=0.0_pReal) allocate(current(ho)%dot_T(count(material_homogenizationID==ho)), source=0.0_pReal)
configHomogenization => configHomogenizations%get(ho) configHomogenization => configHomogenizations%get(ho)
associate(prm => param(ho)) associate(prm => param(ho))
if (configHomogenization%contains('thermal')) then if (configHomogenization%contains('thermal')) then
configHomogenizationThermal => configHomogenization%get('thermal') configHomogenizationThermal => configHomogenization%get('thermal')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
@ -63,13 +64,22 @@ module subroutine thermal_init()
#else #else
prm%output = configHomogenizationThermal%get_as1dString('output',defaultVal=emptyStringArray) prm%output = configHomogenizationThermal%get_as1dString('output',defaultVal=emptyStringArray)
#endif #endif
select case (configHomogenizationThermal%get_asString('type'))
case ('pass')
call pass_init()
case ('isothermal')
call isotemperature_init()
end select
else else
prm%output = emptyStringArray prm%output = emptyStringArray
end if end if
end associate end associate
end do end do
call pass_init()
end subroutine thermal_init end subroutine thermal_init

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@ -1,13 +1,14 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, KU Leuven !> @author Martin Diehl, KU Leuven
!> @brief Dummy homogenization scheme for 1 constituent per material point !> @brief Isotemperature homogenization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(homogenization:thermal) isotemperature submodule(homogenization:thermal) isotemperature
contains contains
module subroutine isotemperature_init module subroutine isotemperature_init()
print'(/,1x,a)', '<<<+- homogenization:thermal:isotemperature init -+>>>'
end subroutine isotemperature_init end subroutine isotemperature_init

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@ -10,6 +10,9 @@ module subroutine pass_init()
print'(/,1x,a)', '<<<+- homogenization:thermal:pass init -+>>>' print'(/,1x,a)', '<<<+- homogenization:thermal:pass init -+>>>'
if (homogenization_Nconstituents(1) /= 1) &
call IO_error(211,ext_msg='N_constituents (pass)')
end subroutine pass_init end subroutine pass_init
end submodule thermal_pass end submodule thermal_pass

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@ -91,6 +91,11 @@ module phase
integer, intent(in) :: ph integer, intent(in) :: ph
end subroutine damage_results end subroutine damage_results
module subroutine thermal_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
end subroutine thermal_results
module subroutine mechanical_forward() module subroutine mechanical_forward()
end subroutine mechanical_forward end subroutine mechanical_forward
@ -487,6 +492,7 @@ subroutine phase_results()
call mechanical_results(group,ph) call mechanical_results(group,ph)
call damage_results(group,ph) call damage_results(group,ph)
call thermal_results(group,ph)
end do end do

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@ -336,7 +336,7 @@ end subroutine damage_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure !> @brief Constitutive equation for calculating the rate of change of microstructure.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function phase_damage_collectDotState(ph,en) result(broken) function phase_damage_collectDotState(ph,en) result(broken)

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@ -180,11 +180,12 @@ submodule(phase) mechanical
end function elastic_nu end function elastic_nu
end interface end interface
type :: tOutput !< new requested output (per phase)
type :: tOutput !< requested output (per phase)
character(len=pStringLen), allocatable, dimension(:) :: & character(len=pStringLen), allocatable, dimension(:) :: &
label label
end type tOutput end type tOutput
type(tOutput), allocatable, dimension(:) :: output_constituent type(tOutput), allocatable, dimension(:) :: output_mechanical
procedure(integrateStateFPI), pointer :: integrateState procedure(integrateStateFPI), pointer :: integrateState
@ -216,7 +217,7 @@ module subroutine mechanical_init(phases)
print'(/,1x,a)', '<<<+- phase:mechanical init -+>>>' print'(/,1x,a)', '<<<+- phase:mechanical init -+>>>'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
allocate(output_constituent(phases%length)) allocate(output_mechanical(phases%length))
allocate(phase_mechanical_Fe(phases%length)) allocate(phase_mechanical_Fe(phases%length))
allocate(phase_mechanical_Fi(phases%length)) allocate(phase_mechanical_Fi(phases%length))
@ -254,9 +255,9 @@ module subroutine mechanical_init(phases)
phase => phases%get(ph) phase => phases%get(ph)
mech => phase%get('mechanical') mech => phase%get('mechanical')
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
output_constituent(ph)%label = output_as1dString(mech) output_mechanical(ph)%label = output_as1dString(mech)
#else #else
output_constituent(ph)%label = mech%get_as1dString('output',defaultVal=emptyStringArray) output_mechanical(ph)%label = mech%get_as1dString('output',defaultVal=emptyStringArray)
#endif #endif
enddo enddo
@ -330,7 +331,7 @@ module subroutine mechanical_results(group,ph)
integer, intent(in) :: ph integer, intent(in) :: ph
call crystallite_results(group,ph) call results(group,ph)
select case(phase_plasticity(ph)) select case(phase_plasticity(ph))
@ -879,9 +880,9 @@ end function integrateStateRK
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes crystallite results to HDF5 output file !> @brief Write mechanical results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine crystallite_results(group,ph) subroutine results(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
@ -891,9 +892,9 @@ subroutine crystallite_results(group,ph)
call results_closeGroup(results_addGroup(group//'/mechanical')) call results_closeGroup(results_addGroup(group//'/mechanical'))
do ou = 1, size(output_constituent(ph)%label) do ou = 1, size(output_mechanical(ph)%label)
select case (output_constituent(ph)%label(ou)) select case (output_mechanical(ph)%label(ou))
case('F') case('F')
call results_writeDataset(phase_mechanical_F(ph)%data,group//'/mechanical/','F',& call results_writeDataset(phase_mechanical_F(ph)%data,group//'/mechanical/','F',&
'deformation gradient','1') 'deformation gradient','1')
@ -919,13 +920,13 @@ subroutine crystallite_results(group,ph)
call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', & call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', &
'second Piola-Kirchhoff stress','Pa') 'second Piola-Kirchhoff stress','Pa')
case('O') case('O')
call results_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical',output_constituent(ph)%label(ou),& call results_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical',output_mechanical(ph)%label(ou),&
'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)') 'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)')
call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/'//output_constituent(ph)%label(ou)) call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/'//output_mechanical(ph)%label(ou))
if (any(phase_lattice(ph) == ['hP', 'tI'])) & if (any(phase_lattice(ph) == ['hP', 'tI'])) &
call results_addAttribute('c/a',phase_cOverA(ph),group//'/mechanical/'//output_constituent(ph)%label(ou)) call results_addAttribute('c/a',phase_cOverA(ph),group//'/mechanical/'//output_mechanical(ph)%label(ou))
end select end select
enddo end do
contains contains
@ -947,7 +948,7 @@ subroutine crystallite_results(group,ph)
end function to_quaternion end function to_quaternion
end subroutine crystallite_results end subroutine results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1335,5 +1336,4 @@ module subroutine phase_set_F(F,co,ce)
end subroutine phase_set_F end subroutine phase_set_F
end submodule mechanical end submodule mechanical

View File

@ -6,6 +6,7 @@ submodule(phase) thermal
type :: tThermalParameters type :: tThermalParameters
real(pReal) :: C_p = 0.0_pReal !< heat capacity real(pReal) :: C_p = 0.0_pReal !< heat capacity
real(pReal), dimension(3,3) :: K = 0.0_pReal !< thermal conductivity real(pReal), dimension(3,3) :: K = 0.0_pReal !< thermal conductivity
character(len=pStringLen), allocatable, dimension(:) :: output
end type tThermalParameters end type tThermalParameters
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
@ -108,6 +109,11 @@ module subroutine thermal_init(phases)
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asFloat('K_33') if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asFloat('K_33')
param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph)) param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph))
#if defined(__GFORTRAN__)
param(ph)%output = output_as1dString(thermal)
#else
param(ph)%output = thermal%get_as1dString('output',defaultVal=emptyStringArray)
#endif
sources => thermal%get('source',defaultVal=emptyList) sources => thermal%get('source',defaultVal=emptyList)
thermal_Nsources(ph) = sources%length thermal_Nsources(ph) = sources%length
else else
@ -381,4 +387,35 @@ function thermal_active(source_label,src_length) result(active_source)
end function thermal_active end function thermal_active
!----------------------------------------------------------------------------------------------
!< @brief writes damage sources results to HDF5 output file
!----------------------------------------------------------------------------------------------
module subroutine thermal_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
integer :: ou
if (allocated(param(ph)%output)) then
call results_closeGroup(results_addGroup(group//'thermal'))
else
return
endif
do ou = 1, size(param(ph)%output)
select case(trim(param(ph)%output(ou)))
case ('T')
call results_writeDataset(current(ph)%T,group//'thermal','T', 'temperature','T')
end select
end do
end subroutine thermal_results
end submodule thermal end submodule thermal