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DAMASK_EICMD
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polishing

This commit is contained in:
Martin Diehl 2020-02-29 14:34:19 +01:00
parent 4935f90d5a
commit 4d227fab2b
9 changed files with 88 additions and 86 deletions
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1
src/kinematics_cleavage_opening.f90
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@ -110,6 +110,7 @@ subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, i
Ld !< damage velocity gradient Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: & real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor) dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
integer :: & integer :: &
homog, damageOffset, & homog, damageOffset, &
i, k, l, m, n i, k, l, m, n

7
src/kinematics_slipplane_opening.f90
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@ -29,9 +29,9 @@ module kinematics_slipplane_opening
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: &
critLoad critLoad
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
slip_direction, & slip_direction, &
slip_normal, & slip_normal, &
slip_transverse slip_transverse
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
@ -113,6 +113,7 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
Ld !< damage velocity gradient Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: & real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor) dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
projection_d, projection_t, projection_n !< projection modes 3x3 tensor projection_d, projection_t, projection_n !< projection modes 3x3 tensor
integer :: & integer :: &

4
src/kinematics_thermal_expansion.f90
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@ -41,8 +41,7 @@ contains
subroutine kinematics_thermal_expansion_init subroutine kinematics_thermal_expansion_init
integer :: Ninstance,p,i integer :: Ninstance,p,i
real(pReal), dimension(:), allocatable :: & real(pReal), dimension(:), allocatable :: temp
temp
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'; flush(6)
@ -88,6 +87,7 @@ pure function kinematics_thermal_expansion_initialStrain(homog,phase,offset)
phase, & phase, &
homog, & homog, &
offset offset
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
kinematics_thermal_expansion_initialStrain !< initial thermal strain (should be small strain, though) kinematics_thermal_expansion_initialStrain !< initial thermal strain (should be small strain, though)

114
src/lattice.f90
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@ -500,7 +500,7 @@ subroutine lattice_init
call IO_error(130,ext_msg='lattice_init: '//trim(structure)) call IO_error(130,ext_msg='lattice_init: '//trim(structure))
end select end select
lattice_C66(1:6,1:6,p) = symmetrizeC66(lattice_structure(p),lattice_C66(1:6,1:6,p)) lattice_C66(1:6,1:6,p) = symmetrizeC66(lattice_C66(1:6,1:6,p),structure)
lattice_mu(p) = 0.2_pReal *(lattice_C66(1,1,p) -lattice_C66(1,2,p) +3.0_pReal*lattice_C66(4,4,p)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5 lattice_mu(p) = 0.2_pReal *(lattice_C66(1,1,p) -lattice_C66(1,2,p) +3.0_pReal*lattice_C66(4,4,p)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
lattice_nu(p) = ( lattice_C66(1,1,p) +4.0_pReal*lattice_C66(1,2,p) -2.0_pReal*lattice_C66(4,4,p)) & lattice_nu(p) = ( lattice_C66(1,1,p) +4.0_pReal*lattice_C66(1,2,p) -2.0_pReal*lattice_C66(4,4,p)) &
@ -690,7 +690,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
C_target_unrotated66(1,3) = C_bar66(1,3) C_target_unrotated66(1,3) = C_bar66(1,3)
C_target_unrotated66(3,3) = C_bar66(3,3) C_target_unrotated66(3,3) = C_bar66(3,3)
C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2.0_pReal/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2))) C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2.0_pReal/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2)))
C_target_unrotated66 = symmetrizeC66(LATTICE_HEX_ID,C_target_unrotated66) C_target_unrotated66 = symmetrizeC66(C_target_unrotated66,'hex')
elseif (structure_target(1:3) == 'bcc') then elseif (structure_target(1:3) == 'bcc') then
if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) & if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target)) call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target))
@ -1797,7 +1797,7 @@ function lattice_symmetrize33(T,structure) result(T_sym)
T_sym(2,2) = T(2,2) T_sym(2,2) = T(2,2)
T_sym(3,3) = T(3,3) T_sym(3,3) = T(3,3)
case default case default
call IO_error(137,ext_msg='lattice_symmetrize33: '//trim(structure)) call IO_error(137,ext_msg='lattice_symmetrize33: '//trim(structure))
end select end select
end function lattice_symmetrize33 end function lattice_symmetrize33
@ -1807,73 +1807,75 @@ end function lattice_symmetrize33
!> @brief Symmetrizes stiffness matrix according to lattice type !> @brief Symmetrizes stiffness matrix according to lattice type
!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962 !> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function symmetrizeC66(struct,C66) function symmetrizeC66(C66,structure) result(C66_sym)
real(pReal), dimension(6,6) :: C66_sym
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(6,6), intent(in) :: C66 real(pReal), dimension(6,6), intent(in) :: C66
real(pReal), dimension(6,6) :: symmetrizeC66 character(len=*), intent(in) :: structure
integer :: j,k integer :: j,k
symmetrizeC66 = 0.0_pReal C66_sym = 0.0_pReal
select case(struct) select case(structure)
case (LATTICE_iso_ID) case ('iso')
do k=1,3 do k=1,3
do j=1,3 do j=1,3
symmetrizeC66(k,j) = C66(1,2) C66_sym(k,j) = C66(1,2)
enddo enddo
symmetrizeC66(k,k) = C66(1,1) C66_sym(k,k) = C66(1,1)
symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2)) C66_sym(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
enddo enddo
case (LATTICE_fcc_ID,LATTICE_bcc_ID) case ('fcc','bcc')
do k=1,3 do k=1,3
do j=1,3 do j=1,3
symmetrizeC66(k,j) = C66(1,2) C66_sym(k,j) = C66(1,2)
enddo enddo
symmetrizeC66(k,k) = C66(1,1) C66_sym(k,k) = C66(1,1)
symmetrizeC66(k+3,k+3) = C66(4,4) C66_sym(k+3,k+3) = C66(4,4)
enddo enddo
case (LATTICE_hex_ID) case ('hex')
symmetrizeC66(1,1) = C66(1,1) C66_sym(1,1) = C66(1,1)
symmetrizeC66(2,2) = C66(1,1) C66_sym(2,2) = C66(1,1)
symmetrizeC66(3,3) = C66(3,3) C66_sym(3,3) = C66(3,3)
symmetrizeC66(1,2) = C66(1,2) C66_sym(1,2) = C66(1,2)
symmetrizeC66(2,1) = C66(1,2) C66_sym(2,1) = C66(1,2)
symmetrizeC66(1,3) = C66(1,3) C66_sym(1,3) = C66(1,3)
symmetrizeC66(3,1) = C66(1,3) C66_sym(3,1) = C66(1,3)
symmetrizeC66(2,3) = C66(1,3) C66_sym(2,3) = C66(1,3)
symmetrizeC66(3,2) = C66(1,3) C66_sym(3,2) = C66(1,3)
symmetrizeC66(4,4) = C66(4,4) C66_sym(4,4) = C66(4,4)
symmetrizeC66(5,5) = C66(4,4) C66_sym(5,5) = C66(4,4)
symmetrizeC66(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2)) C66_sym(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2))
case (LATTICE_ort_ID) case ('ort')
symmetrizeC66(1,1) = C66(1,1) C66_sym(1,1) = C66(1,1)
symmetrizeC66(2,2) = C66(2,2) C66_sym(2,2) = C66(2,2)
symmetrizeC66(3,3) = C66(3,3) C66_sym(3,3) = C66(3,3)
symmetrizeC66(1,2) = C66(1,2) C66_sym(1,2) = C66(1,2)
symmetrizeC66(2,1) = C66(1,2) C66_sym(2,1) = C66(1,2)
symmetrizeC66(1,3) = C66(1,3) C66_sym(1,3) = C66(1,3)
symmetrizeC66(3,1) = C66(1,3) C66_sym(3,1) = C66(1,3)
symmetrizeC66(2,3) = C66(2,3) C66_sym(2,3) = C66(2,3)
symmetrizeC66(3,2) = C66(2,3) C66_sym(3,2) = C66(2,3)
symmetrizeC66(4,4) = C66(4,4) C66_sym(4,4) = C66(4,4)
symmetrizeC66(5,5) = C66(5,5) C66_sym(5,5) = C66(5,5)
symmetrizeC66(6,6) = C66(6,6) C66_sym(6,6) = C66(6,6)
case (LATTICE_bct_ID) case ('bct')
symmetrizeC66(1,1) = C66(1,1) C66_sym(1,1) = C66(1,1)
symmetrizeC66(2,2) = C66(1,1) C66_sym(2,2) = C66(1,1)
symmetrizeC66(3,3) = C66(3,3) C66_sym(3,3) = C66(3,3)
symmetrizeC66(1,2) = C66(1,2) C66_sym(1,2) = C66(1,2)
symmetrizeC66(2,1) = C66(1,2) C66_sym(2,1) = C66(1,2)
symmetrizeC66(1,3) = C66(1,3) C66_sym(1,3) = C66(1,3)
symmetrizeC66(3,1) = C66(1,3) C66_sym(3,1) = C66(1,3)
symmetrizeC66(2,3) = C66(1,3) C66_sym(2,3) = C66(1,3)
symmetrizeC66(3,2) = C66(1,3) C66_sym(3,2) = C66(1,3)
symmetrizeC66(4,4) = C66(4,4) C66_sym(4,4) = C66(4,4)
symmetrizeC66(5,5) = C66(4,4) C66_sym(5,5) = C66(4,4)
symmetrizeC66(6,6) = C66(6,6) C66_sym(6,6) = C66(6,6)
case default case default
symmetrizeC66 = C66 call IO_error(137,ext_msg='symmetrizeC66: '//trim(structure))
end select end select
end function symmetrizeC66 end function symmetrizeC66

11
src/source_damage_anisoBrittle.f90
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@ -22,7 +22,7 @@ module source_damage_anisoBrittle
source_damage_anisoBrittle_offset, & !< which source is my current source mechanism? source_damage_anisoBrittle_offset, & !< which source is my current source mechanism?
source_damage_anisoBrittle_instance !< instance of source mechanism source_damage_anisoBrittle_instance !< instance of source mechanism
type :: tParameters !< container type for internal constitutive parameters type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
aTol, & aTol, &
sdot_0, & sdot_0, &
@ -166,11 +166,10 @@ subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & = sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
+ prm%sdot_0* & + prm%sdot_0 / prm%critDisp(i) &
((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%N + & * ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%N + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%N + & (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%N + &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%N)/ & (max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%N)
prm%critDisp(i)
enddo enddo
end associate end associate

12
src/source_damage_isoBrittle.f90
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@ -125,9 +125,8 @@ subroutine source_damage_isoBrittle_deltaState(C, Fe, ipc, ip, el)
real(pReal) :: & real(pReal) :: &
strainenergy strainenergy
phase = material_phaseAt(ipc,el) !< phase ID at ipc,ip,el phase = material_phaseAt(ipc,el) !< phase ID at ipc,ip,el
constituent = material_phasememberAt(ipc,ip,el) !< state array offset for phase ID at ipc,ip,el constituent = material_phasememberAt(ipc,ip,el) !< state array offset for phase ID at ipc,ip,el
! ToDo: capability for multiple instances of SAME source within given phase. Needs Ninstance loop from here on!
sourceOffset = source_damage_isoBrittle_offset(phase) sourceOffset = source_damage_isoBrittle_offset(phase)
strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3) strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
@ -169,10 +168,9 @@ subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiD
sourceOffset = source_damage_isoBrittle_offset(phase) sourceOffset = source_damage_isoBrittle_offset(phase)
associate(prm => param(source_damage_isoBrittle_instance(phase))) associate(prm => param(source_damage_isoBrittle_instance(phase)))
localphiDot = (1.0_pReal - phi)**(prm%n - 1.0_pReal) - & localphiDot = (1.0_pReal - phi)**(prm%n - 1.0_pReal) &
phi*sourceState(phase)%p(sourceOffset)%state(1,constituent) - phi*sourceState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = - (prm%n - 1.0_pReal)* & dLocalphiDot_dPhi = - (prm%n - 1.0_pReal)* (1.0_pReal - phi)**max(0.0_pReal,prm%n - 2.0_pReal) &
(1.0_pReal - phi)**max(0.0_pReal,prm%n - 2.0_pReal) &
- sourceState(phase)%p(sourceOffset)%state(1,constituent) - sourceState(phase)%p(sourceOffset)%state(1,constituent)
end associate end associate

10
src/source_damage_isoDuctile.f90
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@ -17,10 +17,10 @@ module source_damage_isoDuctile
private private
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
source_damage_isoDuctile_offset, & !< which source is my current damage mechanism? source_damage_isoDuctile_offset, & !< which source is my current damage mechanism?
source_damage_isoDuctile_instance !< instance of damage source mechanism source_damage_isoDuctile_instance !< instance of damage source mechanism
type, private :: tParameters !< container type for internal constitutive parameters type, private :: tParameters !< container type for internal constitutive parameters
real(pReal) :: & real(pReal) :: &
critPlasticStrain, & critPlasticStrain, &
N, & N, &
@ -29,7 +29,7 @@ module source_damage_isoDuctile
output output
end type tParameters end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
public :: & public :: &
@ -126,7 +126,7 @@ subroutine source_damage_isoDuctile_dotState(ipc, ip, el)
associate(prm => param(source_damage_isoDuctile_instance(phase))) associate(prm => param(source_damage_isoDuctile_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = & sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%N)/prm%critPlasticStrain sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%N)/prm%critPlasticStrain ! ToDo: abs for slip rate?
end associate end associate
end subroutine source_damage_isoDuctile_dotState end subroutine source_damage_isoDuctile_dotState

1
src/source_thermal_dissipation.f90
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@ -86,6 +86,7 @@ subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDot_dT, Tstar
Tstar Tstar
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Lp Lp
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
TDot, & TDot, &
dTDot_dT dTDot_dT

8
src/source_thermal_externalheat.f90
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@ -122,15 +122,15 @@ subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phas
sourceOffset = source_thermal_externalheat_offset(phase) sourceOffset = source_thermal_externalheat_offset(phase)
associate(prm => param(source_thermal_externalheat_instance(phase))) associate(prm => param(source_thermal_externalheat_instance(phase)))
do interval = 1, prm%nIntervals ! scan through all rate segments do interval = 1, prm%nIntervals ! scan through all rate segments
frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - prm%time(interval)) & frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - prm%time(interval)) &
/ (prm%time(interval+1) - prm%time(interval)) ! fractional time within segment / (prm%time(interval+1) - prm%time(interval)) ! fractional time within segment
if ( (frac_time < 0.0_pReal .and. interval == 1) & if ( (frac_time < 0.0_pReal .and. interval == 1) &
.or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) & .or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) &
.or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) & .or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) &
TDot = prm%heat_rate(interval ) * (1.0_pReal - frac_time) + & TDot = prm%heat_rate(interval ) * (1.0_pReal - frac_time) + &
prm%heat_rate(interval+1) * frac_time ! interpolate heat rate between segment boundaries... prm%heat_rate(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside of bounds ! ...or extrapolate if outside of bounds
enddo enddo
dTDot_dT = 0.0 dTDot_dT = 0.0
end associate end associate