diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index eb23dcb26..16bf87e95 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -634,11 +634,14 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) - + allocate(prm%Schmid_slip(3,3,prm%totalNslip),source = 0.0_pReal) + i = 0_pInt mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(prm%Nslip(1:f-1_pInt)) slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) + i = i + 1_pInt + prm%Schmid_slip(1:3,1:3,i) = lattice_Sslip(1:3,1:3,1,sum(lattice_Nslipsystem(1:f-1,p))+j,p) do o = 1_pInt, size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) @@ -684,11 +687,15 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) if (allocated(Ctwin3333)) deallocate(Ctwin3333) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) - + allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) + allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal) + i = 0_pInt twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) - + i = i + 1_pInt + prm%Schmid_twin(1:3,1:3,i) = lattice_Stwin(1:3,1:3,sum(lattice_NTwinsystem(1:f-1,p))+j,p) + prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p) ! nucleation rate prefactor, ! and twin size !* Rotate twin elasticity matrices @@ -739,21 +746,23 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) if (allocated(Ctrans3333)) deallocate(Ctrans3333) allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) - + allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal) + i = 0_pInt transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) - - index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list + i = i + 1_pInt + prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p) + index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt Ctrans3333(l,m,n,o,index_myFamily+j) = & - Ctrans3333(l,m,n,o,index_myFamily+j) + & - lattice_trans_C3333(p1,q,r,s,p) * & - lattice_Qtrans(l,p1,index_otherFamily+j,p) * & - lattice_Qtrans(m,q,index_otherFamily+j,p) * & - lattice_Qtrans(n,r,index_otherFamily+j,p) * & - lattice_Qtrans(o,s,index_otherFamily+j,p) + Ctrans3333(l,m,n,o,index_myFamily+j) + & + lattice_trans_C3333(p1,q,r,s,p) * & + lattice_Qtrans(l,p1,index_otherFamily+j,p) * & + lattice_Qtrans(m,q,index_otherFamily+j,p) * & + lattice_Qtrans(n,r,index_otherFamily+j,p) * & + lattice_Qtrans(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo prm%Ctrans66(1:6,1:6,index_myFamily+j) = &