Merge branch 'nonlocal-flux-separation' into 'development'
Nonlocal flux separation See merge request damask/DAMASK!165
This commit is contained in:
Franz Roters
commit
0d03c46981
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@ -962,39 +962,24 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
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integer :: &
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integer :: &
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ph, &
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ph, &
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neighbor_instance, & !< instance of my neighbor's plasticity
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ns, & !< short notation for the total number of active slip systems
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ns, & !< short notation for the total number of active slip systems
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c, & !< character of dislocation
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c, & !< character of dislocation
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n, & !< index of my current neighbor
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neighbor_el, & !< element number of my neighbor
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neighbor_ip, & !< integration point of my neighbor
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neighbor_n, & !< neighbor index pointing to me when looking from my neighbor
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opposite_neighbor, & !< index of my opposite neighbor
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opposite_ip, & !< ip of my opposite neighbor
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opposite_el, & !< element index of my opposite neighbor
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opposite_n, & !< neighbor index pointing to me when looking from my opposite neighbor
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t, & !< type of dislocation
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t, & !< type of dislocation
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no,& !< neighbor offset shortcut
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np,& !< neighbor phase shortcut
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topp, & !< type of dislocation with opposite sign to t
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s !< index of my current slip system
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s !< index of my current slip system
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real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
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real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
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rho, &
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rho, &
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rho0, & !< dislocation density at beginning of time step
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rho0, & !< dislocation density at beginning of time step
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rhoDot, & !< density evolution
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rhoDot, & !< density evolution
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rhoDotMultiplication, & !< density evolution by multiplication
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rhoDotMultiplication, & !< density evolution by multiplication
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rhoDotFlux, & !< density evolution by flux
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rhoDotSingle2DipoleGlide, & !< density evolution by dipole formation (by glide)
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rhoDotSingle2DipoleGlide, & !< density evolution by dipole formation (by glide)
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rhoDotAthermalAnnihilation, & !< density evolution by athermal annihilation
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rhoDotAthermalAnnihilation, & !< density evolution by athermal annihilation
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rhoDotThermalAnnihilation !< density evolution by thermal annihilation
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rhoDotThermalAnnihilation !< density evolution by thermal annihilation
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real(pReal), dimension(param(instance)%sum_N_sl,8) :: &
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real(pReal), dimension(param(instance)%sum_N_sl,8) :: &
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rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
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rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
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neighbor_rhoSgl0, & !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
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my_rhoSgl0 !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
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my_rhoSgl0 !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
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real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
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real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
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v, & !< current dislocation glide velocity
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v, & !< current dislocation glide velocity
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v0, &
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v0, &
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neighbor_v0, & !< dislocation glide velocity of enighboring ip
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gdot !< shear rates
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gdot !< shear rates
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
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tau, & !< current resolved shear stress
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tau, & !< current resolved shear stress
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@ -1003,23 +988,7 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
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rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
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rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
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dLower, & !< minimum stable dipole distance for edges and screws
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dLower, & !< minimum stable dipole distance for edges and screws
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dUpper !< current maximum stable dipole distance for edges and screws
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dUpper !< current maximum stable dipole distance for edges and screws
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real(pReal), dimension(3,param(instance)%sum_N_sl,4) :: &
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m !< direction of dislocation motion
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real(pReal), dimension(3,3) :: &
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my_F, & !< my total deformation gradient
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neighbor_F, & !< total deformation gradient of my neighbor
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my_Fe, & !< my elastic deformation gradient
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neighbor_Fe, & !< elastic deformation gradient of my neighbor
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Favg !< average total deformation gradient of me and my neighbor
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real(pReal), dimension(3) :: &
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normal_neighbor2me, & !< interface normal pointing from my neighbor to me in neighbor's lattice configuration
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normal_neighbor2me_defConf, & !< interface normal pointing from my neighbor to me in shared deformed configuration
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normal_me2neighbor, & !< interface normal pointing from me to my neighbor in my lattice configuration
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normal_me2neighbor_defConf !< interface normal pointing from me to my neighbor in shared deformed configuration
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real(pReal) :: &
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real(pReal) :: &
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area, & !< area of the current interface
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transmissivity, & !< overall transmissivity of dislocation flux to neighboring material point
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lineLength, & !< dislocation line length leaving the current interface
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selfDiffusion !< self diffusion
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selfDiffusion !< self diffusion
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ph = material_phaseAt(1,el)
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ph = material_phaseAt(1,el)
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@ -1092,6 +1061,172 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
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* sqrt(stt%rho_forest(:,of)) / prm%lambda0 / prm%burgers, 2, 4)
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* sqrt(stt%rho_forest(:,of)) / prm%lambda0 / prm%burgers, 2, 4)
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endif isBCC
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endif isBCC
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forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),of)
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!****************************************************************************
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!*** calculate dipole formation and annihilation
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!*** formation by glide
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do c = 1,2
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rhoDotSingle2DipoleGlide(:,2*c-1) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile
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+ rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile
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+ abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) ! positive mobile --> negative immobile
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rhoDotSingle2DipoleGlide(:,2*c) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile
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+ rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile
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+ abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c))) ! negative mobile --> positive immobile
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rhoDotSingle2DipoleGlide(:,2*c+3) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* rhoSgl(:,2*c+3) * abs(gdot(:,2*c)) ! negative mobile --> positive immobile
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rhoDotSingle2DipoleGlide(:,2*c+4) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* rhoSgl(:,2*c+4) * abs(gdot(:,2*c-1)) ! positive mobile --> negative immobile
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rhoDotSingle2DipoleGlide(:,c+8) = abs(rhoDotSingle2DipoleGlide(:,2*c+3)) &
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+ abs(rhoDotSingle2DipoleGlide(:,2*c+4)) &
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- rhoDotSingle2DipoleGlide(:,2*c-1) &
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- rhoDotSingle2DipoleGlide(:,2*c)
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enddo
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!*** athermal annihilation
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rhoDotAthermalAnnihilation = 0.0_pReal
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forall (c=1:2) &
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rhoDotAthermalAnnihilation(:,c+8) = -2.0_pReal * dLower(:,c) / prm%burgers &
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* ( 2.0_pReal * (rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1))) & ! was single hitting single
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+ 2.0_pReal * (abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single
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+ rhoDip(:,c) * (abs(gdot(:,2*c-1)) + abs(gdot(:,2*c)))) ! single knocks dipole constituent
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! annihilated screw dipoles leave edge jogs behind on the colinear system
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if (lattice_structure(ph) == LATTICE_fcc_ID) &
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forall (s = 1:ns, 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,of)) * (dUpper(s,2) + dLower(s,2)) * prm%edgeJogFactor
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!*** thermally activated annihilation of edge dipoles by climb
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rhoDotThermalAnnihilation = 0.0_pReal
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selfDiffusion = prm%Dsd0 * exp(-prm%selfDiffusionEnergy / (kB * Temperature))
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vClimb = prm%atomicVolume * selfDiffusion * prm%mu &
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/ ( kB * Temperature * PI * (1.0_pReal-prm%nu) * (dUpper(:,1) + dLower(:,1)))
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forall (s = 1:ns, dUpper(s,1) > dLower(s,1)) &
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rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), &
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- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
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- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
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rhoDot = rhoDotFlux(F,Fp,timestep, instance,of,ip,el) &
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+ rhoDotMultiplication &
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+ rhoDotSingle2DipoleGlide &
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+ rhoDotAthermalAnnihilation &
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+ rhoDotThermalAnnihilation
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if ( any(rho(:,mob) + rhoDot(:,1:4) * timestep < -prm%atol_rho) &
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.or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then
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#ifdef DEBUG
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if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0) then
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write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
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write(6,'(a)') '<< CONST >> enforcing cutback !!!'
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endif
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#endif
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plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
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else
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dot%rho(:,of) = pack(rhoDot,.true.)
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dot%gamma(:,of) = sum(gdot,2)
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endif
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end associate
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end subroutine plastic_nonlocal_dotState
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!---------------------------------------------------------------------------------------------------
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!> @brief calculates the rate of change of microstructure
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!---------------------------------------------------------------------------------------------------
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function rhoDotFlux(F,Fp,timestep, instance,of,ip,el)
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real(pReal), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem), intent(in) :: &
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F, & !< elastic deformation gradient
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Fp !< plastic deformation gradient
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real(pReal), intent(in) :: &
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timestep !< substepped crystallite time increment
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integer, intent(in) :: &
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instance, &
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of, &
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ip, & !< current integration point
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el !< current element number
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integer :: &
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ph, &
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neighbor_instance, & !< instance of my neighbor's plasticity
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ns, & !< short notation for the total number of active slip systems
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c, & !< character of dislocation
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n, & !< index of my current neighbor
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neighbor_el, & !< element number of my neighbor
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neighbor_ip, & !< integration point of my neighbor
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neighbor_n, & !< neighbor index pointing to me when looking from my neighbor
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opposite_neighbor, & !< index of my opposite neighbor
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opposite_ip, & !< ip of my opposite neighbor
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opposite_el, & !< element index of my opposite neighbor
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opposite_n, & !< neighbor index pointing to me when looking from my opposite neighbor
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t, & !< type of dislocation
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no,& !< neighbor offset shortcut
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np,& !< neighbor phase shortcut
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topp, & !< type of dislocation with opposite sign to t
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s !< index of my current slip system
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real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
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rho, &
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rho0, & !< dislocation density at beginning of time step
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rhoDotFlux !< density evolution by flux
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real(pReal), dimension(param(instance)%sum_N_sl,8) :: &
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rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
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neighbor_rhoSgl0, & !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
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my_rhoSgl0 !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
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real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
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v, & !< current dislocation glide velocity
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v0, &
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neighbor_v0, & !< dislocation glide velocity of enighboring ip
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gdot !< shear rates
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real(pReal), dimension(3,param(instance)%sum_N_sl,4) :: &
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m !< direction of dislocation motion
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real(pReal), dimension(3,3) :: &
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my_F, & !< my total deformation gradient
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neighbor_F, & !< total deformation gradient of my neighbor
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my_Fe, & !< my elastic deformation gradient
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neighbor_Fe, & !< elastic deformation gradient of my neighbor
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Favg !< average total deformation gradient of me and my neighbor
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real(pReal), dimension(3) :: &
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normal_neighbor2me, & !< interface normal pointing from my neighbor to me in neighbor's lattice configuration
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normal_neighbor2me_defConf, & !< interface normal pointing from my neighbor to me in shared deformed configuration
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normal_me2neighbor, & !< interface normal pointing from me to my neighbor in my lattice configuration
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normal_me2neighbor_defConf !< interface normal pointing from me to my neighbor in shared deformed configuration
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real(pReal) :: &
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area, & !< area of the current interface
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transmissivity, & !< overall transmissivity of dislocation flux to neighboring material point
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lineLength !< dislocation line length leaving the current interface
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ph = material_phaseAt(1,el)
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associate(prm => param(instance), &
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dst => microstructure(instance), &
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dot => dotState(instance), &
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stt => state(instance))
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ns = prm%sum_N_sl
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gdot = 0.0_pReal
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rho = getRho(instance,of,ip,el)
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rhoSgl = rho(:,sgl)
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rho0 = getRho0(instance,of,ip,el)
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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,instance),of) !ToDo: MD: I think we should use state0 here
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gdot = rhoSgl(:,1:4) * v * spread(prm%burgers,2,4)
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forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),of)
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forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),of)
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!****************************************************************************
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!****************************************************************************
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@ -1114,7 +1249,7 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
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write(6,'(a)') '<< CONST >> enforcing cutback !!!'
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write(6,'(a)') '<< CONST >> enforcing cutback !!!'
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endif
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endif
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#endif
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#endif
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plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN) ! -> return NaN and, hence, enforce cutback
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rhoDotFlux = IEEE_value(1.0_pReal,IEEE_quiet_NaN) ! enforce cutback
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return
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return
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endif
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endif
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@ -1240,108 +1375,9 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Fp, Temperature,timestep, &
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enddo neighbors
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enddo neighbors
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endif
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endif
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!****************************************************************************
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!*** calculate dipole formation and annihilation
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!*** formation by glide
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do c = 1,2
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rhoDotSingle2DipoleGlide(:,2*c-1) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile
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+ rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile
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+ abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) ! positive mobile --> negative immobile
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rhoDotSingle2DipoleGlide(:,2*c) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* ( rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) & ! negative mobile --> positive mobile
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+ rhoSgl(:,2*c) * abs(gdot(:,2*c-1)) & ! positive mobile --> negative mobile
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+ abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c))) ! negative mobile --> positive immobile
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rhoDotSingle2DipoleGlide(:,2*c+3) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* rhoSgl(:,2*c+3) * abs(gdot(:,2*c)) ! negative mobile --> positive immobile
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rhoDotSingle2DipoleGlide(:,2*c+4) = -2.0_pReal * dUpper(:,c) / prm%burgers &
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* rhoSgl(:,2*c+4) * abs(gdot(:,2*c-1)) ! positive mobile --> negative immobile
|
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||||||
|
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||||||
rhoDotSingle2DipoleGlide(:,c+8) = abs(rhoDotSingle2DipoleGlide(:,2*c+3)) &
|
|
||||||
+ abs(rhoDotSingle2DipoleGlide(:,2*c+4)) &
|
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||||||
- rhoDotSingle2DipoleGlide(:,2*c-1) &
|
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- rhoDotSingle2DipoleGlide(:,2*c)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
|
|
||||||
!*** athermal annihilation
|
|
||||||
rhoDotAthermalAnnihilation = 0.0_pReal
|
|
||||||
forall (c=1:2) &
|
|
||||||
rhoDotAthermalAnnihilation(:,c+8) = -2.0_pReal * dLower(:,c) / prm%burgers &
|
|
||||||
* ( 2.0_pReal * (rhoSgl(:,2*c-1) * abs(gdot(:,2*c)) + rhoSgl(:,2*c) * abs(gdot(:,2*c-1))) & ! was single hitting single
|
|
||||||
+ 2.0_pReal * (abs(rhoSgl(:,2*c+3)) * abs(gdot(:,2*c)) + abs(rhoSgl(:,2*c+4)) * abs(gdot(:,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single
|
|
||||||
+ rhoDip(:,c) * (abs(gdot(:,2*c-1)) + abs(gdot(:,2*c)))) ! single knocks dipole constituent
|
|
||||||
|
|
||||||
! annihilated screw dipoles leave edge jogs behind on the colinear system
|
|
||||||
if (lattice_structure(ph) == LATTICE_fcc_ID) &
|
|
||||||
forall (s = 1:ns, prm%colinearSystem(s) > 0) &
|
|
||||||
rhoDotAthermalAnnihilation(prm%colinearSystem(s),1:2) = - rhoDotAthermalAnnihilation(s,10) &
|
|
||||||
* 0.25_pReal * sqrt(stt%rho_forest(s,of)) * (dUpper(s,2) + dLower(s,2)) * prm%edgeJogFactor
|
|
||||||
|
|
||||||
|
|
||||||
!*** thermally activated annihilation of edge dipoles by climb
|
|
||||||
rhoDotThermalAnnihilation = 0.0_pReal
|
|
||||||
selfDiffusion = prm%Dsd0 * exp(-prm%selfDiffusionEnergy / (kB * Temperature))
|
|
||||||
vClimb = prm%atomicVolume * selfDiffusion * prm%mu &
|
|
||||||
/ ( kB * Temperature * PI * (1.0_pReal-prm%nu) * (dUpper(:,1) + dLower(:,1)))
|
|
||||||
forall (s = 1:ns, dUpper(s,1) > dLower(s,1)) &
|
|
||||||
rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), &
|
|
||||||
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
|
|
||||||
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
|
|
||||||
|
|
||||||
rhoDot = rhoDotFlux &
|
|
||||||
+ rhoDotMultiplication &
|
|
||||||
+ rhoDotSingle2DipoleGlide &
|
|
||||||
+ rhoDotAthermalAnnihilation &
|
|
||||||
+ rhoDotThermalAnnihilation
|
|
||||||
|
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0 &
|
|
||||||
.and. ((debug_e == el .and. debug_i == ip)&
|
|
||||||
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0 )) then
|
|
||||||
write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> dislocation multiplication', &
|
|
||||||
rhoDotMultiplication(:,1:4) * timestep
|
|
||||||
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation flux', &
|
|
||||||
rhoDotFlux(:,1:8) * timestep
|
|
||||||
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> dipole formation by glide', &
|
|
||||||
rhoDotSingle2DipoleGlide * timestep
|
|
||||||
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> athermal dipole annihilation', &
|
|
||||||
rhoDotAthermalAnnihilation * timestep
|
|
||||||
write(6,'(a,/,2(12x,12(e12.5,1x),/))') '<< CONST >> thermally activated dipole annihilation', &
|
|
||||||
rhoDotThermalAnnihilation(:,9:10) * timestep
|
|
||||||
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> total density change', &
|
|
||||||
rhoDot * timestep
|
|
||||||
write(6,'(a,/,10(12x,12(f12.5,1x),/))') '<< CONST >> relative density change', &
|
|
||||||
rhoDot(:,1:8) * timestep / (abs(stt%rho(:,sgl))+1.0e-10), &
|
|
||||||
rhoDot(:,9:10) * timestep / (stt%rho(:,dip)+1.0e-10)
|
|
||||||
write(6,*)
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
|
|
||||||
|
|
||||||
if ( any(rho(:,mob) + rhoDot(:,1:4) * timestep < -prm%atol_rho) &
|
|
||||||
.or. any(rho(:,dip) + rhoDot(:,9:10) * timestep < -prm%atol_rho)) then
|
|
||||||
#ifdef DEBUG
|
|
||||||
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0) then
|
|
||||||
write(6,'(a,i5,a,i2)') '<< CONST >> evolution rate leads to negative density at el ',el,' ip ',ip
|
|
||||||
write(6,'(a)') '<< CONST >> enforcing cutback !!!'
|
|
||||||
endif
|
|
||||||
#endif
|
|
||||||
plasticState(ph)%dotState = IEEE_value(1.0_pReal,IEEE_quiet_NaN)
|
|
||||||
else
|
|
||||||
dot%rho(:,of) = pack(rhoDot,.true.)
|
|
||||||
dot%gamma(:,of) = sum(gdot,2)
|
|
||||||
endif
|
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
|
|
||||||
end subroutine plastic_nonlocal_dotState
|
end function rhoDotFlux
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue