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