223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'DisloUCLA-Names-as-in-paper' into 'development' 

Dislo ucla names as in paper

See merge request damask/DAMASK!65
This commit is contained in:
Franz Roters 2019-03-22 13:22:11 +01:00
parent 97145eb852 450a0565d3
commit de92469e26
1 changed files with 601 additions and 629 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

530
src/plastic_disloUCLA.f90
View File

@ -7,12 +7,11 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module plastic_disloUCLA module plastic_disloUCLA
use prec, only: & use prec, only: &
pReal, & pReal
pInt
implicit none implicit none
private private
integer(pInt), dimension(:,:), allocatable, target, public :: & integer, dimension(:,:), allocatable, target, public :: &
plastic_disloUCLA_sizePostResult !< size of each post result output plastic_disloUCLA_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
plastic_disloUCLA_output !< name of each post result output plastic_disloUCLA_output !< name of each post result output
@ -23,34 +22,32 @@ module plastic_disloUCLA
enum, bind(c) enum, bind(c)
enumerator :: & enumerator :: &
undefined_ID, & undefined_ID, &
rho_ID, & rho_mob_ID, &
rhoDip_ID, & rho_dip_ID, &
shearrate_ID, & dot_gamma_sl_ID, &
accumulatedshear_ID, & gamma_sl_ID, &
mfp_ID, & Lambda_sl_ID, &
thresholdstress_ID thresholdstress_ID
end enum end enum
type, private :: tParameters type, private :: tParameters
real(pReal) :: & real(pReal) :: &
aTolRho, & aTol_rho, &
grainSize, & D, & !< grain size
SolidSolutionStrength, & !< Strength due to elements in solid solution
mu, & mu, &
D0, & !< prefactor for self-diffusion coefficient D_0, & !< prefactor for self-diffusion coefficient
Qsd !< activation energy for dislocation climb Q_cl !< activation energy for dislocation climb
real(pReal), allocatable, dimension(:) :: & real(pReal), dimension(:), allocatable :: &
rho0, & !< initial edge dislocation density rho_mob_0, & !< initial dislocation density
rhoDip0, & !< initial edge dipole density rho_dip_0, & !< initial dipole density
burgers, & !< absolute length of burgers vector [m] b_sl, & !< magnitude of burgers vector [m]
nonSchmidCoeff, & nonSchmidCoeff, &
minDipDistance, & D_a, &
CLambda, & !< Adj. parameter for distance between 2 forest dislocations i_sl, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, & atomicVolume, &
tau_Peierls, & tau_0, &
tau0, &
!* mobility law parameters !* mobility law parameters
H0kp, & !< activation energy for glide [J] delta_F, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s] v0, & !< dislocation velocity prefactor [m/s]
p, & !< p-exponent in glide velocity p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity q, & !< q-exponent in glide velocity
@ -58,34 +55,33 @@ module plastic_disloUCLA
kink_height, & !< height of the kink pair kink_height, & !< height of the kink pair
w, & !< width of the kink pair w, & !< width of the kink pair
omega !< attempt frequency for kink pair nucleation omega !< attempt frequency for kink pair nucleation
real(pReal), allocatable, dimension(:,:) :: & real(pReal), dimension(:,:), allocatable :: &
interaction_SlipSlip, & !< slip resistance from slip activity h_sl_sl, & !< slip resistance from slip activity
forestProjectionEdge forestProjectionEdge
real(pReal), allocatable, dimension(:,:,:) :: & real(pReal), dimension(:,:,:), allocatable :: &
Schmid, & Schmid, &
nonSchmid_pos, & nonSchmid_pos, &
nonSchmid_neg nonSchmid_neg
integer(pInt) :: & integer :: &
totalNslip !< total number of active slip system sum_N_sl !< total number of active slip system
integer(pInt), allocatable, dimension(:) :: & integer, dimension(:), allocatable :: &
Nslip !< number of active slip systems for each family N_sl !< number of active slip systems for each family
integer(kind(undefined_ID)), allocatable, dimension(:) :: & integer(kind(undefined_ID)), dimension(:),allocatable :: &
outputID !< ID of each post result output outputID !< ID of each post result 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 end type !< container type for internal constitutive parameters
type, private :: tDisloUCLAState type, private :: tDisloUCLAState
real(pReal), pointer, dimension(:,:) :: & real(pReal), dimension(:,:), pointer :: &
rhoEdge, & rho_mob, &
rhoEdgeDip, & rho_dip, &
accshear gamma_sl
end type tDisloUCLAState end type tDisloUCLAState
type, private :: tDisloUCLAdependentState type, private :: tDisloUCLAdependentState
real(pReal), allocatable, dimension(:,:) :: & real(pReal), dimension(:,:), allocatable :: &
mfp, & Lambda_sl, &
dislocationSpacing, &
threshold_stress threshold_stress
end type tDisloUCLAdependentState end type tDisloUCLAdependentState
@ -139,14 +135,14 @@ subroutine plastic_disloUCLA_init()
use lattice use lattice
implicit none implicit none
integer(pInt) :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
NipcMyPhase, & NipcMyPhase, &
sizeState, sizeDotState, & sizeState, sizeDotState, &
startIndex, endIndex startIndex, endIndex
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] integer, dimension(0), parameter :: emptyIntArray = [integer::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
@ -163,11 +159,11 @@ subroutine plastic_disloUCLA_init()
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78:242–256, 2016' write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
write(6,'(a)') ' https://dx.doi.org/10.1016/j.ijplas.2015.09.002' write(6,'(a)') ' https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
Ninstance = int(count(phase_plasticity == PLASTICITY_DISLOUCLA_ID),pInt) Ninstance = count(phase_plasticity == PLASTICITY_DISLOUCLA_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(plastic_disloUCLA_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt) allocate(plastic_disloUCLA_sizePostResult(maxval(phase_Noutput),Ninstance),source=0)
allocate(plastic_disloUCLA_output(maxval(phase_Noutput),Ninstance)) allocate(plastic_disloUCLA_output(maxval(phase_Noutput),Ninstance))
plastic_disloUCLA_output = '' plastic_disloUCLA_output = ''
@ -177,7 +173,7 @@ subroutine plastic_disloUCLA_init()
allocate(dependentState(Ninstance)) allocate(dependentState(Ninstance))
do p = 1_pInt, size(phase_plasticity) do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), & associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), &
@ -189,127 +185,125 @@ subroutine plastic_disloUCLA_init()
! optional parameters that need to be defined ! optional parameters that need to be defined
prm%mu = lattice_mu(p) prm%mu = lattice_mu(p)
prm%aTolRho = config%getFloat('atol_rho') prm%aTol_rho = config%getFloat('atol_rho')
! sanity checks ! sanity checks
if (prm%aTolRho <= 0.0_pReal) extmsg = trim(extmsg)//' atol_rho' if (prm%aTol_rho <= 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray) prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%sum_N_sl = sum(prm%N_sl)
slipActive: if (prm%totalNslip > 0_pInt) then slipActive: if (prm%sum_N_sl > 0) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),& prm%Schmid = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then if(trim(config%getString('lattice_structure')) == 'bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',& prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray) defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%N_sl,prm%nonSchmidCoeff,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%N_sl,prm%nonSchmidCoeff,-1)
else else
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, & prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure')) config%getString('lattice_structure'))
prm%forestProjectionEdge = lattice_forestProjection(prm%Nslip,config%getString('lattice_structure'),& prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%rho0 = config%getFloats('rhoedge0', requiredSize=size(prm%Nslip)) prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl))
prm%rhoDip0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%Nslip)) prm%rho_dip_0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(prm%Nslip)) prm%v0 = config%getFloats('v0', requiredSize=size(prm%N_sl))
prm%burgers = config%getFloats('slipburgers', requiredSize=size(prm%Nslip)) prm%b_sl = config%getFloats('slipburgers', requiredSize=size(prm%N_sl))
prm%H0kp = config%getFloats('qedge', requiredSize=size(prm%Nslip)) prm%delta_F = config%getFloats('qedge', requiredSize=size(prm%N_sl))
prm%clambda = config%getFloats('clambdaslip', requiredSize=size(prm%Nslip)) prm%i_sl = config%getFloats('clambdaslip', requiredSize=size(prm%N_sl))
prm%tau_Peierls = config%getFloats('tau_peierls', requiredSize=size(prm%Nslip)) ! ToDo: Deprecated prm%tau_0 = config%getFloats('tau_peierls', requiredSize=size(prm%N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(prm%Nslip), & prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
prm%q = config%getFloats('q_slip', requiredSize=size(prm%Nslip), & prm%q = config%getFloats('q_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1_pInt,size(prm%Nslip))]) defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%Nslip)) prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%N_sl))
prm%w = config%getFloats('kink_width', requiredSize=size(prm%Nslip)) prm%w = config%getFloats('kink_width', requiredSize=size(prm%N_sl))
prm%omega = config%getFloats('omega', requiredSize=size(prm%Nslip)) prm%omega = config%getFloats('omega', requiredSize=size(prm%N_sl))
prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%Nslip)) prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! ToDo: Deprecated prm%D = config%getFloat('grainsize')
prm%grainSize = config%getFloat('grainsize') prm%D_0 = config%getFloat('d0')
prm%D0 = config%getFloat('d0') prm%Q_cl = config%getFloat('qsd')
prm%Qsd = config%getFloat('qsd') prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
prm%atomicVolume = config%getFloat('catomicvolume') * prm%burgers**3.0_pReal prm%D_a = config%getFloat('cedgedipmindistance') * prm%b_sl
prm%minDipDistance = config%getFloat('cedgedipmindistance') * prm%burgers
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) prm%rho_dip_0 = math_expand(prm%rho_dip_0, prm%N_sl)
prm%q = math_expand(prm%q, prm%Nslip) prm%q = math_expand(prm%q, prm%N_sl)
prm%p = math_expand(prm%p, prm%Nslip) prm%p = math_expand(prm%p, prm%N_sl)
prm%H0kp = math_expand(prm%H0kp, prm%Nslip) prm%delta_F = math_expand(prm%delta_F, prm%N_sl)
prm%burgers = math_expand(prm%burgers, prm%Nslip) prm%b_sl = math_expand(prm%b_sl, prm%N_sl)
prm%kink_height = math_expand(prm%kink_height, prm%Nslip) prm%kink_height = math_expand(prm%kink_height, prm%N_sl)
prm%w = math_expand(prm%w, prm%Nslip) prm%w = math_expand(prm%w, prm%N_sl)
prm%omega = math_expand(prm%omega, prm%Nslip) prm%omega = math_expand(prm%omega, prm%N_sl)
prm%tau_Peierls = math_expand(prm%tau_Peierls, prm%Nslip) prm%tau_0 = math_expand(prm%tau_0, prm%N_sl)
prm%v0 = math_expand(prm%v0, prm%Nslip) prm%v0 = math_expand(prm%v0, prm%N_sl)
prm%B = math_expand(prm%B, prm%Nslip) prm%B = math_expand(prm%B, prm%N_sl)
prm%clambda = math_expand(prm%clambda, prm%Nslip) prm%i_sl = math_expand(prm%i_sl, prm%N_sl)
prm%atomicVolume = math_expand(prm%atomicVolume, prm%Nslip) prm%atomicVolume = math_expand(prm%atomicVolume, prm%N_sl)
prm%minDipDistance = math_expand(prm%minDipDistance, prm%Nslip) prm%D_a = math_expand(prm%D_a, prm%N_sl)
prm%tau0 = prm%tau_peierls + prm%SolidSolutionStrength
! sanity checks ! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' d0' if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' qsd' if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0' if (any(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0' if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0' if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%burgers <= 0.0_pReal)) extmsg = trim(extmsg)//' slipburgers' if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' slipb_sl'
if (any(prm%H0kp <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge' if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_peierls' if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_0'
if (any(prm%minDipDistance <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipburgers' if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipb_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipburgers' if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipb_sl'
else slipActive else slipActive
allocate(prm%rho0(0)) allocate(prm%rho_mob_0(0))
allocate(prm%rhoDip0(0)) allocate(prm%rho_dip_0(0))
endif slipActive endif slipActive
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range ! exit if any parameter is out of range
if (extmsg /= '') & if (extmsg /= '') &
call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOUCLA_label//')') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOUCLA_label//')')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! output pararameters ! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray) outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0)) allocate(prm%outputID(0))
do i=1_pInt, size(outputs) do i=1, size(outputs)
outputID = undefined_ID outputID = undefined_ID
select case(trim(outputs(i))) select case(trim(outputs(i)))
case ('edge_density') case ('edge_density')
outputID = merge(rho_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(rho_mob_ID,undefined_ID,prm%sum_N_sl>0)
case ('dipole_density') case ('dipole_density')
outputID = merge(rhoDip_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl>0)
case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip') case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip')
outputID = merge(shearrate_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(dot_gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('accumulated_shear','accumulatedshear','accumulated_shear_slip') case ('accumulated_shear','accumulatedshear','accumulated_shear_slip')
outputID = merge(accumulatedshear_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('mfp','mfp_slip') case ('mfp','mfp_slip')
outputID = merge(mfp_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(Lambda_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('threshold_stress','threshold_stress_slip') case ('threshold_stress','threshold_stress_slip')
outputID = merge(thresholdstress_ID,undefined_ID,prm%totalNslip>0_pInt) outputID = merge(thresholdstress_ID,undefined_ID,prm%sum_N_sl>0)
end select end select
if (outputID /= undefined_ID) then if (outputID /= undefined_ID) then
plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i) plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = prm%totalNslip plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = prm%sum_N_sl
prm%outputID = [prm%outputID, outputID] prm%outputID = [prm%outputID, outputID]
endif endif
@ -318,41 +312,40 @@ subroutine plastic_disloUCLA_init()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! allocate state arrays ! allocate state arrays
NipcMyPhase = count(material_phase == p) NipcMyPhase = count(material_phase == p)
sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * prm%totalNslip sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
sizeState = sizeDotState sizeState = sizeDotState
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0, &
prm%totalNslip,0_pInt,0_pInt) prm%sum_N_sl,0,0)
plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p))) plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p)))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! locally defined state aliases and initialization of state0 and aTolState ! locally defined state aliases and initialization of state0 and aTolState
startIndex = 1_pInt startIndex = 1
endIndex = prm%totalNslip endIndex = prm%sum_N_sl
stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase) stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase)
dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho
startIndex = endIndex + 1_pInt startIndex = endIndex + 1
endIndex = endIndex + prm%totalNslip endIndex = endIndex + prm%sum_N_sl
stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase) stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase)
dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho
startIndex = endIndex + 1_pInt startIndex = endIndex + 1
endIndex = endIndex + prm%totalNslip endIndex = endIndex + prm%sum_N_sl
stt%accshear=>plasticState(p)%state(startIndex:endIndex,:) stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
dot%accshear=>plasticState(p)%dotState(startIndex:endIndex,:) dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal !ToDo: better make optional parameter plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal ! Don't use for convergence check
! global alias ! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:) plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
allocate(dst%mfp(prm%totalNslip,NipcMyPhase), source=0.0_pReal) allocate(dst%Lambda_sl(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
allocate(dst%dislocationSpacing(prm%totalNslip,NipcMyPhase),source=0.0_pReal) allocate(dst%threshold_stress(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
allocate(dst%threshold_stress(prm%totalNslip,NipcMyPhase), source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
@ -366,8 +359,8 @@ end subroutine plastic_disloUCLA_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of) pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of)
implicit none implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
@ -377,29 +370,29 @@ pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,inst
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature T !< temperature
integer(pInt), intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
integer(pInt) :: & integer :: &
i,k,l,m,n i,k,l,m,n
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos,gdot_neg, & dot_gamma_pos,dot_gamma_neg, &
dgdot_dtau_pos,dgdot_dtau_neg ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dMp = 0.0_pReal dLp_dMp = 0.0_pReal
associate(prm => param(instance)) associate(prm => param(instance))
call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg) call kinetics(Mp,T,instance,of,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
do i = 1_pInt, prm%totalNslip do i = 1, prm%sum_N_sl
Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%Schmid(1:3,1:3,i) Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(i))*prm%Schmid(1:3,1:3,i)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgdot_dtau_pos(i) * prm%Schmid(k,l,i) * prm%nonSchmid_pos(m,n,i) & + ddot_gamma_dtau_pos(i) * prm%Schmid(k,l,i) * prm%nonSchmid_pos(m,n,i) &
+ dgdot_dtau_neg(i) * prm%Schmid(k,l,i) * prm%nonSchmid_neg(m,n,i) + ddot_gamma_dtau_neg(i) * prm%Schmid(k,l,i) * prm%nonSchmid_neg(m,n,i)
enddo enddo
end associate end associate
@ -410,7 +403,7 @@ end subroutine plastic_disloUCLA_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of) subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq0 dEq0
@ -422,50 +415,52 @@ subroutine plastic_disloUCLA_dotState(Mp,Temperature,instance,of)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature T !< temperature
integer(pInt), intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
real(pReal) :: & real(pReal) :: &
VacancyDiffusion VacancyDiffusion
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos, gdot_neg,& gdot_pos, gdot_neg,&
tau_pos,& tau_pos,&
tau_neg, & tau_neg, &
DotRhoDipFormation, ClimbVelocity, EdgeDipDistance, & v_cl, &
DotRhoEdgeDipClimb dot_rho_dip_formation, &
dot_rho_dip_climb, &
dip_distance
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
call kinetics(Mp,Temperature,instance,of,& call kinetics(Mp,T,instance,of,&
gdot_pos,gdot_neg, & gdot_pos,gdot_neg, &
tau_pos1 = tau_pos,tau_neg1 = tau_neg) tau_pos_out = tau_pos,tau_neg_out = tau_neg)
dot%accshear(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) VacancyDiffusion = prm%D_0*exp(-prm%Q_cl/(kB*T))
where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
DotRhoDipFormation = 0.0_pReal dot_rho_dip_formation = 0.0_pReal
DotRhoEdgeDipClimb = 0.0_pReal dot_rho_dip_climb = 0.0_pReal
else where else where
EdgeDipDistance = math_clip((3.0_pReal*prm%mu*prm%burgers)/(16.0_pReal*PI*abs(tau_pos)), & dip_distance = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), &
prm%minDipDistance, & ! lower limit prm%D_a, & ! lower limit
dst%mfp(:,of)) ! upper limit dst%Lambda_sl(:,of)) ! upper limit
DotRhoDipFormation = merge(((2.0_pReal*EdgeDipDistance)/prm%burgers)* stt%rhoEdge(:,of)*abs(dot%accshear(:,of)), & ! ToDo: ignore region of spontaneous annihilation dot_rho_dip_formation = merge(2.0_pReal*dip_distance* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, & 0.0_pReal, &
prm%dipoleformation) prm%dipoleformation)
ClimbVelocity = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*Temperature)) & v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*T)) &
* (1.0_pReal/(EdgeDipDistance+prm%minDipDistance)) * (1.0_pReal/(dip_distance+prm%D_a))
DotRhoEdgeDipClimb = (4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(:,of))/(EdgeDipDistance-prm%minDipDistance) ! ToDo: Discuss with Franz: Stress dependency? dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,of))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
end where end where
dot%rhoEdge(:,of) = abs(dot%accshear(:,of))/(prm%burgers*dst%mfp(:,of)) & ! multiplication dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%b_sl*dst%Lambda_sl(:,of)) & ! multiplication
- DotRhoDipFormation & - dot_rho_dip_formation &
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdge(:,of)*abs(dot%accshear(:,of)) !* Spontaneous annihilation of 2 single edge dislocations - (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) ! Spontaneous annihilation of 2 single edge dislocations
dot%rhoEdgeDip(:,of) = DotRhoDipFormation & dot%rho_dip(:,of) = dot_rho_dip_formation &
- (2.0_pReal*prm%minDipDistance)/prm%burgers*stt%rhoEdgeDip(:,of)*abs(dot%accshear(:,of)) & !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent
- DotRhoEdgeDipClimb - dot_rho_dip_climb
end associate end associate
@ -478,25 +473,26 @@ end subroutine plastic_disloUCLA_dotState
subroutine plastic_disloUCLA_dependentState(instance,of) subroutine plastic_disloUCLA_dependentState(instance,of)
implicit none implicit none
integer(pInt), intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
integer(pInt) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
dislocationSpacing
integer :: &
i i
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
forall (i = 1_pInt:prm%totalNslip) forall (i = 1:prm%sum_N_sl)
dst%dislocationSpacing(i,of) = sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), & dislocationSpacing(i) = sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%forestProjectionEdge(:,i))) prm%forestProjectionEdge(:,i)))
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) & dst%threshold_stress(i,of) = prm%mu*prm%b_sl(i) &
* sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), & * sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%interaction_SlipSlip(:,i))) prm%h_sl_sl(:,i)))
end forall end forall
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda) dst%Lambda_sl(:,of) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
dst%dislocationSpacing(:,of) = dst%mfp(:,of) ! ToDo: Hack to recover wrong behavior for the moment
end associate end associate
@ -506,7 +502,7 @@ end subroutine plastic_disloUCLA_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results !> @brief return array of constitutive results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postResults) function plastic_disloUCLA_postResults(Mp,T,instance,of) result(postResults)
use prec, only: & use prec, only: &
dEq, dNeq0 dEq, dNeq0
use math, only: & use math, only: &
@ -517,43 +513,43 @@ function plastic_disloUCLA_postResults(Mp,Temperature,instance,of) result(postRe
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature T !< temperature
integer(pInt), intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
real(pReal), dimension(sum(plastic_disloUCLA_sizePostResult(:,instance))) :: & real(pReal), dimension(sum(plastic_disloUCLA_sizePostResult(:,instance))) :: &
postResults postResults
integer(pInt) :: & integer :: &
o,c,i o,c
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos,gdot_neg gdot_pos,gdot_neg
c = 0_pInt c = 0
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
outputsLoop: do o = 1_pInt,size(prm%outputID) outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o)) select case(prm%outputID(o))
case (rho_ID) case (rho_mob_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) postResults(c+1:c+prm%sum_N_sl) = stt%rho_mob(1:prm%sum_N_sl,of)
case (rhoDip_ID) case (rho_dip_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of)
case (shearrate_ID) case (dot_gamma_sl_ID)
call kinetics(Mp,Temperature,instance,of,gdot_pos,gdot_neg) call kinetics(Mp,T,instance,of,gdot_pos,gdot_neg)
postResults(c+1:c+prm%totalNslip) = gdot_pos + gdot_neg postResults(c+1:c+prm%sum_N_sl) = gdot_pos + gdot_neg
case (accumulatedshear_ID) case (gamma_sl_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear(1_pInt:prm%totalNslip, of) postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of)
case (mfp_ID) case (Lambda_sl_ID)
postResults(c+1_pInt:c+prm%totalNslip) = dst%mfp(1_pInt:prm%totalNslip, of) postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl, of)
case (thresholdstress_ID) case (thresholdstress_ID)
postResults(c+1_pInt:c+prm%totalNslip) = dst%threshold_stress(1_pInt:prm%totalNslip,of) postResults(c+1:c+prm%sum_N_sl) = dst%threshold_stress(1:prm%sum_N_sl,of)
end select end select
c = c + prm%totalNslip c = c + prm%sum_N_sl
enddo outputsLoop enddo outputsLoop
@ -575,7 +571,7 @@ subroutine plastic_disloUCLA_results(instance,group)
integer :: o integer :: o
associate(prm => param(instance), stt => state(instance)) associate(prm => param(instance), stt => state(instance))
outputsLoop: do o = 1_pInt,size(prm%outputID) outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o)) select case(prm%outputID(o))
end select end select
enddo outputsLoop enddo outputsLoop
@ -595,8 +591,8 @@ end subroutine plastic_disloUCLA_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to ! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end ! have the optional arguments at the end
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,Temperature,instance,of, & pure subroutine kinetics(Mp,T,instance,of, &
gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg,tau_pos1,tau_neg1) dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg,tau_pos_out,tau_neg_out)
use prec, only: & use prec, only: &
tol_math_check, & tol_math_check, &
dEq, dNeq0 dEq, dNeq0
@ -608,127 +604,103 @@ pure subroutine kinetics(Mp,Temperature,instance,of, &
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
temperature !< temperature T !< temperature
integer(pInt), intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
real(pReal), intent(out), dimension(param(instance)%totalNslip) :: & real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
gdot_pos, & dot_gamma_pos, &
gdot_neg dot_gamma_neg
real(pReal), intent(out), optional, dimension(param(instance)%totalNslip) :: & real(pReal), intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
dgdot_dtau_pos, & ddot_gamma_dtau_pos, &
dgdot_dtau_neg, & ddot_gamma_dtau_neg, &
tau_pos1, & tau_pos_out, &
tau_neg1 tau_neg_out
real(pReal), dimension(param(instance)%totalNslip) :: & real(pReal), dimension(param(instance)%sum_N_sl) :: &
StressRatio, & StressRatio, &
StressRatio_p,StressRatio_pminus1, & StressRatio_p,StressRatio_pminus1, &
dvel, vel, & dvel, vel, &
tau_pos,tau_neg, & tau_pos,tau_neg, &
t_n, t_k, dtk,dtn, &
needsGoodName ! ToDo: @Karo: any idea? needsGoodName ! ToDo: @Karo: any idea?
integer(pInt) :: j integer :: j
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance)) associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do j = 1_pInt, prm%totalNslip do j = 1, prm%sum_N_sl
tau_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j)) tau_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
tau_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j)) tau_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
enddo enddo
if (present(tau_pos1)) tau_pos1 = tau_pos if (present(tau_pos_out)) tau_pos_out = tau_pos
if (present(tau_neg1)) tau_neg1 = tau_neg if (present(tau_neg_out)) tau_neg_out = tau_neg
associate(BoltzmannRatio => prm%H0kp/(kB*Temperature), & associate(BoltzmannRatio => prm%delta_F/(kB*T), &
DotGamma0 => stt%rhoEdge(:,of)*prm%burgers*prm%v0, & dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
effectiveLength => dst%mfp(:,of) - prm%w) effectiveLength => dst%Lambda_sl(:,of) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau0 StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
vel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega & t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
* effectiveLength * tau_pos * needsGoodName & t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) ! our definition of tk is different with the one in dislotwin
/ ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_pos &
+ prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName &
)
gdot_pos = DotGamma0 * sign(vel,tau_pos) * 0.5_pReal vel = prm%kink_height/(t_n + t_k)
dot_gamma_pos = dot_gamma_0 * sign(vel,tau_pos) * 0.5_pReal
else where significantPositiveTau else where significantPositiveTau
gdot_pos = 0.0_pReal dot_gamma_pos = 0.0_pReal
end where significantPositiveTau end where significantPositiveTau
if (present(dgdot_dtau_pos)) then if (present(ddot_gamma_dtau_pos)) then
significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check) significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
dvel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength & dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
* ( & * (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_0
(needsGoodName + tau_pos * abs(needsGoodName)*BoltzmannRatio*prm%p & dtk = -1.0_pReal * t_k / tau_pos
* prm%q/prm%tau0 &
* StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) &
) &
* ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_pos &
+ prm%omega * prm%B* effectiveLength **2.0_pReal* needsGoodName &
) &
- tau_pos * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
+ prm%omega * prm%B *effectiveLength **2.0_pReal&
* (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 &
*StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
) &
) &
/(2.0_pReal*prm%burgers**2.0_pReal*tau_pos &
+ prm%omega * prm%B* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal
dgdot_dtau_pos = DotGamma0 * dvel* 0.5_pReal dvel = -1.0_pReal * prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal
ddot_gamma_dtau_pos = dot_gamma_0 * dvel* 0.5_pReal
else where significantPositiveTau2 else where significantPositiveTau2
dgdot_dtau_pos = 0.0_pReal ddot_gamma_dtau_pos = 0.0_pReal
end where significantPositiveTau2 end where significantPositiveTau2
endif endif
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check) significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau0 StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_0
StressRatio_p = StressRatio** prm%p StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal) StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q) needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
vel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega & t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
* effectiveLength * tau_neg * needsGoodName & t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) ! our definition of tk is different with the one in dislotwin
/ ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_neg &
+ prm%omega * prm%B * effectiveLength**2.0_pReal* needsGoodName &
)
gdot_neg = DotGamma0 * sign(vel,tau_neg) * 0.5_pReal vel = prm%kink_height/(t_n + t_k)
dot_gamma_neg = dot_gamma_0 * sign(vel,tau_neg) * 0.5_pReal
else where significantNegativeTau else where significantNegativeTau
gdot_neg = 0.0_pReal dot_gamma_neg = 0.0_pReal
end where significantNegativeTau end where significantNegativeTau
if (present(dgdot_dtau_neg)) then if (present(ddot_gamma_dtau_neg)) then
significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check) significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
dvel = 2.0_pReal*prm%burgers * prm%kink_height * prm%omega* effectiveLength & dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
* ( & * (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_0
(needsGoodName + tau_neg * abs(needsGoodName)*BoltzmannRatio*prm%p & dtk = -1.0_pReal * t_k / tau_neg
* prm%q/prm%tau0 &
* StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) &
) &
* ( 2.0_pReal*(prm%burgers**2.0_pReal)*tau_neg &
+ prm%omega * prm%B* effectiveLength **2.0_pReal* needsGoodName &
) &
- tau_neg * needsGoodName * (2.0_pReal*prm%burgers**2.0_pReal &
+ prm%omega * prm%B *effectiveLength **2.0_pReal&
* (abs(needsGoodName)*BoltzmannRatio*prm%p *prm%q/prm%tau0 &
*StressRatio_pminus1*(1-StressRatio_p)**(prm%q-1.0_pReal) )&
) &
) &
/(2.0_pReal*prm%burgers**2.0_pReal*tau_neg &
+ prm%omega * prm%B* effectiveLength**2.0_pReal* needsGoodName )**2.0_pReal
dgdot_dtau_neg = DotGamma0 * dvel * 0.5_pReal dvel = -1.0_pReal * prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal
ddot_gamma_dtau_neg = dot_gamma_0 * dvel * 0.5_pReal
else where significantNegativeTau2 else where significantNegativeTau2
dgdot_dtau_neg = 0.0_pReal ddot_gamma_dtau_neg = 0.0_pReal
end where significantNegativeTau2 end where significantNegativeTau2
end if end if
end associate end associate
end associate end associate