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Merge branch 'modernize-nonlocal' into 'development' 

Modernize nonlocal

See merge request damask/DAMASK!883
This commit is contained in:
Philip Eisenlohr 2023-12-28 18:57:49 +00:00
parent f89e33a726 e7543fd715
commit a80fce4108
1 changed files with 36 additions and 42 deletions
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78
src/phase_mechanical_plastic_nonlocal.f90
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@ -44,8 +44,7 @@ submodule(phase:plastic) nonlocal
! BEGIN DEPRECATED ! BEGIN DEPRECATED
integer, dimension(:,:,:), allocatable :: & integer, dimension(:,:,:), allocatable :: &
iRhoU, & !< state indices for unblocked density iRhoU, & !< state indices for unblocked density
iV, & !< state indices for dislocation velocities iV !< state indices for dislocation velocities
iD !< state indices for stable dipole height
!END DEPRECATED !END DEPRECATED
real(pREAL), dimension(:,:,:,:,:,:), allocatable :: & real(pREAL), dimension(:,:,:,:,:,:), allocatable :: &
@ -124,7 +123,9 @@ submodule(phase:plastic) nonlocal
type :: tNonlocalDependentState type :: tNonlocalDependentState
real(pREAL), allocatable, dimension(:,:) :: & real(pREAL), allocatable, dimension(:,:) :: &
tau_pass, & tau_pass, &
tau_back tau_back, &
rho_forest, &
max_dipole_height
real(pREAL), allocatable, dimension(:,:,:,:,:) :: & real(pREAL), allocatable, dimension(:,:,:,:,:) :: &
compatibility compatibility
end type tNonlocalDependentState end type tNonlocalDependentState
@ -146,7 +147,6 @@ submodule(phase:plastic) nonlocal
rhoDip, & rhoDip, &
rho_dip_edg, & rho_dip_edg, &
rho_dip_scr, & rho_dip_scr, &
rho_forest, &
gamma, & gamma, &
v, & v, &
v_edg_pos, & v_edg_pos, &
@ -177,7 +177,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
integer :: & integer :: &
ph, & ph, &
Nmembers, & Nmembers, &
sizeState, sizeDotState, sizeDependentState, sizeDeltaState, & sizeState, sizeDotState, sizeDeltaState, &
s1, s2, & s1, s2, &
s, t, l s, t, l
real(pREAL), dimension(:,:), allocatable :: & real(pREAL), dimension(:,:), allocatable :: &
@ -389,11 +389,9 @@ module function plastic_nonlocal_init() result(myPlasticity)
'rhoSglScrewPosImmobile','rhoSglScrewNegImmobile', & 'rhoSglScrewPosImmobile','rhoSglScrewNegImmobile', &
'rhoDipEdge ','rhoDipScrew ', & 'rhoDipEdge ','rhoDipScrew ', &
'gamma ' ]) * prm%sum_N_sl !< "basic" microstructural state variables that are independent from other state variables 'gamma ' ]) * prm%sum_N_sl !< "basic" microstructural state variables that are independent from other state variables
sizeDependentState = size([ 'rhoForest ']) * prm%sum_N_sl !< microstructural state variables that depend on other state variables sizeState = sizeDotState &
sizeState = sizeDotState + sizeDependentState &
+ size([ 'velocityEdgePos ','velocityEdgeNeg ', & + size([ 'velocityEdgePos ','velocityEdgeNeg ', &
'velocityScrewPos ','velocityScrewNeg ', & 'velocityScrewPos ','velocityScrewNeg ']) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
sizeDeltaState = sizeDotState sizeDeltaState = sizeDotState
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState,0) ! ToDo: state structure does not follow convention call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,sizeDeltaState,0) ! ToDo: state structure does not follow convention
@ -477,15 +475,17 @@ module function plastic_nonlocal_init() result(myPlasticity)
if (any(plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pREAL)) & if (any(plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pREAL)) &
extmsg = trim(extmsg)//' atol_gamma' extmsg = trim(extmsg)//' atol_gamma'
stt%rho_forest => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nmembers) stt%v => plasticState(ph)%state (11*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
stt%v => plasticState(ph)%state (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nmembers) st0%v => plasticState(ph)%state0 (11*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
stt%v_edg_pos => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nmembers) stt%v_edg_pos => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nmembers)
stt%v_edg_neg => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nmembers) stt%v_edg_neg => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nmembers)
stt%v_scr_pos => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers) stt%v_scr_pos => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nmembers)
stt%v_scr_neg => plasticState(ph)%state (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nmembers) stt%v_scr_neg => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nmembers)
allocate(dst%tau_pass(prm%sum_N_sl,Nmembers),source=0.0_pREAL) allocate(dst%tau_pass(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
allocate(dst%tau_back(prm%sum_N_sl,Nmembers),source=0.0_pREAL) allocate(dst%tau_back(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
allocate(dst%rho_forest(prm%sum_N_sl,Nmembers),source=0.0_pREAL)
allocate(dst%max_dipole_height(2*prm%sum_N_sl,Nmembers),source=0.0_pREAL) ! edge and screw
allocate(dst%compatibility(2,maxval(param%sum_N_sl),maxval(param%sum_N_sl),nIPneighbors,Nmembers),source=0.0_pREAL) allocate(dst%compatibility(2,maxval(param%sum_N_sl),maxval(param%sum_N_sl),nIPneighbors,Nmembers),source=0.0_pREAL)
end associate end associate
@ -503,7 +503,6 @@ module function plastic_nonlocal_init() result(myPlasticity)
! BEGIN DEPRECATED---------------------------------------------------------------------------------- ! BEGIN DEPRECATED----------------------------------------------------------------------------------
allocate(iRhoU(maxval(param%sum_N_sl),4,phases%length), source=0) allocate(iRhoU(maxval(param%sum_N_sl),4,phases%length), source=0)
allocate(iV(maxval(param%sum_N_sl),4,phases%length), source=0) allocate(iV(maxval(param%sum_N_sl),4,phases%length), source=0)
allocate(iD(maxval(param%sum_N_sl),2,phases%length), source=0)
do ph = 1, phases%length do ph = 1, phases%length
@ -518,20 +517,14 @@ module function plastic_nonlocal_init() result(myPlasticity)
iRhoU(s,t,ph) = l iRhoU(s,t,ph) = l
end do end do
end do end do
l = l + (4+2+1+1)*param(ph)%sum_N_sl ! immobile(4), dipole(2), shear, forest l = l + (4+2+1)*param(ph)%sum_N_sl ! immobile(4), dipole(2), shear
do t = 1,4 do t = 1,4
do s = 1,param(ph)%sum_N_sl do s = 1,param(ph)%sum_N_sl
l = l + 1 l = l + 1
iV(s,t,ph) = l iV(s,t,ph) = l
end do end do
end do end do
do t = 1,2 if (iV(param(ph)%sum_N_sl,4,ph) /= plasticState(ph)%sizeState) &
do s = 1,param(ph)%sum_N_sl
l = l + 1
iD(s,t,ph) = l
end do
end do
if (iD(param(ph)%sum_N_sl,2,ph) /= plasticState(ph)%sizeState) &
error stop 'state indices not properly set (nonlocal)' error stop 'state indices not properly set (nonlocal)'
end do end do
@ -602,7 +595,7 @@ module subroutine nonlocal_dependentState(ph, en)
nu = elastic_nu(ph,en,prm%isotropic_bound) nu = elastic_nu(ph,en,prm%isotropic_bound)
rho = getRho(ph,en) rho = getRho(ph,en)
stt%rho_forest(:,en) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) & dst%rho_forest(:,en) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
+ matmul(prm%forestProjection_Screw,sum(abs(rho(:,scr)),2)) + matmul(prm%forestProjection_Screw,sum(abs(rho(:,scr)),2))
@ -612,7 +605,7 @@ module subroutine nonlocal_dependentState(ph, en)
myInteractionMatrix = prm%h_sl_sl & myInteractionMatrix = prm%h_sl_sl &
* spread(( 1.0_pREAL - prm%f_F & * spread(( 1.0_pREAL - prm%f_F &
+ prm%f_F & + prm%f_F &
* log(0.35_pREAL * prm%b_sl * sqrt(max(stt%rho_forest(:,en),prm%rho_significant))) & * log(0.35_pREAL * prm%b_sl * sqrt(max(dst%rho_forest(:,en),prm%rho_significant))) &
/ log(0.35_pREAL * prm%b_sl * 1e6_pREAL))**2,2,prm%sum_N_sl) / log(0.35_pREAL * prm%b_sl * 1e6_pREAL))**2,2,prm%sum_N_sl)
else else
myInteractionMatrix = prm%h_sl_sl myInteractionMatrix = prm%h_sl_sl
@ -861,14 +854,14 @@ module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
deltaDUpper ! change in maximum stable dipole distance for edges and screws deltaDUpper ! change in maximum stable dipole distance for edges and screws
associate(prm => param(ph),dst => dependentState(ph),del => deltaState(ph)) associate(prm => param(ph),dst => dependentState(ph),del => deltaState(ph), stt=>state(ph))
mu = elastic_mu(ph,en,prm%isotropic_bound) mu = elastic_mu(ph,en,prm%isotropic_bound)
nu = elastic_nu(ph,en,prm%isotropic_bound) nu = elastic_nu(ph,en,prm%isotropic_bound)
!*** shortcut to state variables !*** shortcut to state variables
forall (s = 1:prm%sum_N_sl, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en) v = reshape(stt%v(:,en),[prm%sum_N_sl,4])
forall (s = 1:prm%sum_N_sl, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,ph),en) dUpperOld = reshape(dst%max_dipole_height(:,en),[prm%sum_N_sl,2])
rho = getRho(ph,en) rho = getRho(ph,en)
rhoDip = rho(:,dip) rhoDip = rho(:,dip)
@ -915,7 +908,7 @@ module subroutine plastic_nonlocal_deltaState(Mp,ph,en)
/ (dUpperOld(s,c) - prm%minDipoleHeight(s,c)) / (dUpperOld(s,c) - prm%minDipoleHeight(s,c))
forall (t=1:4) deltaRhoDipole2SingleStress(:,t) = -0.5_pREAL * deltaRhoDipole2SingleStress(:,(t-1)/2+9) forall (t=1:4) deltaRhoDipole2SingleStress(:,t) = -0.5_pREAL * deltaRhoDipole2SingleStress(:,(t-1)/2+9)
forall (s = 1:prm%sum_N_sl, c = 1:2) plasticState(ph)%state(iD(s,c,ph),en) = dUpper(s,c) dst%max_dipole_height(:,en) = pack(dUpper,.true.)
plasticState(ph)%deltaState(:,en) = 0.0_pREAL plasticState(ph)%deltaState(:,en) = 0.0_pREAL
del%rho(:,en) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*prm%sum_N_sl]) del%rho(:,en) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*prm%sum_N_sl])
@ -975,7 +968,8 @@ module subroutine nonlocal_dotState(Mp,timestep, &
return return
end if end if
associate(prm => param(ph), dst => dependentState(ph), dot => dotState(ph), stt => state(ph)) associate(prm => param(ph), dst => dependentState(ph), dot => dotState(ph), &
stt => state(ph), st0 => state0(ph))
mu = elastic_mu(ph,en,prm%isotropic_bound) mu = elastic_mu(ph,en,prm%isotropic_bound)
nu = elastic_nu(ph,en,prm%isotropic_bound) nu = elastic_nu(ph,en,prm%isotropic_bound)
@ -990,11 +984,10 @@ module subroutine nonlocal_dotState(Mp,timestep, &
rho0 = getRho0(ph,en) rho0 = getRho0(ph,en)
my_rhoSgl0 = rho0(:,sgl) my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:prm%sum_N_sl, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en) v = reshape(stt%v(:,en),[prm%sum_N_sl,4])
dot_gamma = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4) dot_gamma = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
! limits for stable dipole height ! limits for stable dipole height
do s = 1,prm%sum_N_sl do s = 1,prm%sum_N_sl
tau(s) = math_tensordot(Mp, prm%P_sl(1:3,1:3,s)) + dst%tau_back(s,en) tau(s) = math_tensordot(Mp, prm%P_sl(1:3,1:3,s)) + dst%tau_back(s,en)
@ -1018,20 +1011,20 @@ module subroutine nonlocal_dotState(Mp,timestep, &
isBCC: if (phase_lattice(ph) == 'cI') then isBCC: if (phase_lattice(ph) == 'cI') then
forall (s = 1:prm%sum_N_sl, sum(abs(v(s,1:4))) > 0.0_pREAL) forall (s = 1:prm%sum_N_sl, sum(abs(v(s,1:4))) > 0.0_pREAL)
rhoDotMultiplication(s,1:2) = sum(abs(dot_gamma(s,3:4))) / prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication rhoDotMultiplication(s,1:2) = sum(abs(dot_gamma(s,3:4))) / prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(stt%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path * sqrt(dst%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path
! * 2.0_pREAL * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation ! * 2.0_pREAL * sum(abs(v(s,3:4))) / sum(abs(v(s,1:4))) ! ratio of screw to overall velocity determines edge generation
rhoDotMultiplication(s,3:4) = sum(abs(dot_gamma(s,3:4))) /prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication rhoDotMultiplication(s,3:4) = sum(abs(dot_gamma(s,3:4))) /prm%b_sl(s) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(stt%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path * sqrt(dst%rho_forest(s,en)) / prm%i_sl(s) ! & ! mean free path
! * 2.0_pREAL * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation ! * 2.0_pREAL * sum(abs(v(s,1:2))) / sum(abs(v(s,1:4))) ! ratio of edge to overall velocity determines screw generation
endforall endforall
else isBCC else isBCC
rhoDotMultiplication(:,1:4) = spread( & rhoDotMultiplication(:,1:4) = spread( &
(sum(abs(dot_gamma(:,1:2)),2) * prm%f_ed_mult + sum(abs(dot_gamma(:,3:4)),2)) & (sum(abs(dot_gamma(:,1:2)),2) * prm%f_ed_mult + sum(abs(dot_gamma(:,3:4)),2)) &
* sqrt(stt%rho_forest(:,en)) / prm%i_sl / prm%b_sl, 2, 4) ! eq. 3.26 * sqrt(dst%rho_forest(:,en)) / prm%i_sl / prm%b_sl, 2, 4) ! eq. 3.26
end if isBCC end if isBCC
forall (s = 1:prm%sum_N_sl, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),en) v0 = reshape(st0%v(:,en),[prm%sum_N_sl,4])
!**************************************************************************** !****************************************************************************
@ -1074,7 +1067,7 @@ module subroutine nonlocal_dotState(Mp,timestep, &
if (phase_lattice(ph) == 'cF') & if (phase_lattice(ph) == 'cF') &
forall (s = 1:prm%sum_N_sl, prm%colinearSystem(s) > 0) & forall (s = 1:prm%sum_N_sl, prm%colinearSystem(s) > 0) &
rhoDotAthermalAnnihilation(prm%colinearSystem(s),1:2) = - rhoDotAthermalAnnihilation(s,10) & rhoDotAthermalAnnihilation(prm%colinearSystem(s),1:2) = - rhoDotAthermalAnnihilation(s,10) &
* 0.25_pREAL * sqrt(stt%rho_forest(s,en)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed * 0.25_pREAL * sqrt(dst%rho_forest(s,en)) * (dUpper(s,2) + dLower(s,2)) * prm%f_ed
! thermally activated annihilation of edge dipoles by climb ! thermally activated annihilation of edge dipoles by climb
@ -1171,7 +1164,8 @@ function rhoDotFlux(timestep,ph,en)
associate(prm => param(ph), & associate(prm => param(ph), &
dst => dependentState(ph), & dst => dependentState(ph), &
stt => state(ph)) stt => state(ph), &
st0 => state0(ph))
ns = prm%sum_N_sl ns = prm%sum_N_sl
dot_gamma = 0.0_pREAL dot_gamma = 0.0_pREAL
@ -1181,10 +1175,10 @@ function rhoDotFlux(timestep,ph,en)
rho0 = getRho0(ph,en) rho0 = getRho0(ph,en)
my_rhoSgl0 = rho0(:,sgl) my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),en) !ToDo: MD: I think we should use state0 here v = reshape(stt%v(:,en),[prm%sum_N_sl,4]) !ToDo: MD: I think we should use state0 here
dot_gamma = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4) dot_gamma = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),en) v0 = reshape(st0%v(:,en),[prm%sum_N_sl,4])
!**************************************************************************** !****************************************************************************
!*** calculate dislocation fluxes (only for nonlocal plasticity) !*** calculate dislocation fluxes (only for nonlocal plasticity)
@ -1486,7 +1480,7 @@ module subroutine plastic_nonlocal_result(ph,group)
call result_writeDataset(stt%rho_dip_scr,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_dip_scr,group,trim(prm%output(ou)), &
'screw dipole density','1/m²', prm%systems_sl) 'screw dipole density','1/m²', prm%systems_sl)
case('rho_f') case('rho_f')
call result_writeDataset(stt%rho_forest,group,trim(prm%output(ou)), & call result_writeDataset(dst%rho_forest,group,trim(prm%output(ou)), &
'forest density','1/m²', prm%systems_sl) 'forest density','1/m²', prm%systems_sl)
case('v_ed_pos') case('v_ed_pos')
call result_writeDataset(stt%v_edg_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%v_edg_pos,group,trim(prm%output(ou)), &