From 5a394977429f334c15bb8d4bfe076adf2252cac1 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Thu, 5 Mar 2009 16:36:31 +0000 Subject: [PATCH] added sample material.config sections at module start --- trunk/constitutive_dislobased.f90 | 1057 ++++++++++++----------- trunk/constitutive_phenomenological.f90 | 17 + 2 files changed, 555 insertions(+), 519 deletions(-) diff --git a/trunk/constitutive_dislobased.f90 b/trunk/constitutive_dislobased.f90 index 6e75b3d58..22b550185 100644 --- a/trunk/constitutive_dislobased.f90 +++ b/trunk/constitutive_dislobased.f90 @@ -8,44 +8,67 @@ !* - orientations * !************************************ -MODULE constitutive_dislobased +! [Alu] +! constitution phenomenological +! lattice_structure 1 +! Nslip 12 +! +! c11 106.75e9 +! c12 60.41e9 +! c44 28.34e9 +! +! burgers 2.86e-10 # Burgers vector [m] +! Qedge 3e-19 # Activation energy for dislocation glide [J/K] (0.5*G*b^3) +! Qsd 2.4e-19 # Activation energy for self diffusion [J/K] (gamma-iron) +! diff0 1e-3 # prefactor vacancy diffusion coeffficent (gamma-iron) +! interaction_coefficients 1.0 2.2 3.0 1.6 3.8 4.5 # Dislocation interaction coefficients +! +! rho0 6.0e12 # Initial dislocation density [m/m^3] +! +! c1 0.1 # Passing stress adjustment +! c2 2.0 # Jump width adjustment +! c3 1.0 # Activation volume adjustment +! c4 50.0 # Average slip distance adjustment for lock formation +! c7 8.0 # Athermal recovery adjustment +! c8 1.0e10 # Thermal recovery adjustment (plays no role for me) +MODULE constitutive_dislobased !*** Include other modules *** use prec, only: pReal,pInt implicit none - - character (len=*), parameter :: constitutive_dislobased_label = 'dislobased' - - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_sizeDotState, & - constitutive_dislobased_sizeState, & - constitutive_dislobased_sizePostResults - character(len=64), dimension(:,:), allocatable :: constitutive_dislobased_output - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_structure - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_Nslip - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C11 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C12 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C13 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C33 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C44 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_Gmod - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Cslip_66 -!* Visco-plastic constitutive_phenomenological parameters - real(pReal), dimension(:), allocatable :: constitutive_dislobased_rho0 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_bg - real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qedge - real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qsd - real(pReal), dimension(:), allocatable :: constitutive_dislobased_D0 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c1 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c2 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c3 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c4 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c5 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c6 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c7 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c8 - real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_SlipIntCoeff - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iparallel - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iforest + + character (len=*), parameter :: constitutive_dislobased_label = 'dislobased' + + integer(pInt), dimension(:), allocatable :: constitutive_dislobased_sizeDotState, & + constitutive_dislobased_sizeState, & + constitutive_dislobased_sizePostResults + character(len=64), dimension(:,:), allocatable :: constitutive_dislobased_output + integer(pInt), dimension(:), allocatable :: constitutive_dislobased_structure + integer(pInt), dimension(:), allocatable :: constitutive_dislobased_Nslip + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C11 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C12 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C13 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C33 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C44 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Gmod + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Cslip_66 +!* Visco-plastic constitutive_phenomenological parameters + real(pReal), dimension(:), allocatable :: constitutive_dislobased_rho0 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_bg + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qedge + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qsd + real(pReal), dimension(:), allocatable :: constitutive_dislobased_D0 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c1 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c2 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c3 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c4 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c5 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c6 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c7 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_c8 + real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_SlipIntCoeff + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iparallel + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iforest !************************************* !* Definition of material properties * @@ -59,500 +82,496 @@ real(pReal), parameter :: avogadro = 6.022e23_pReal !* Physical parameter, Gas constant in J.mol/Kelvin real(pReal), parameter :: Rgaz = 8.314_pReal - CONTAINS -!**************************************** -!* - constitutive_init -!* - constitutive_homogenizedC -!* - constitutive_microstructure -!* - constitutive_LpAndItsTangent -!* - consistutive_dotState -!* - consistutive_postResults +!**************************************** +!* - constitutive_init +!* - constitutive_homogenizedC +!* - constitutive_microstructure +!* - constitutive_LpAndItsTangent +!* - consistutive_dotState +!* - consistutive_postResults !**************************************** - -subroutine constitutive_dislobased_init(file) -!************************************** -!* Module initialization * -!************************************** - use prec, only: pInt, pReal - use math, only: math_Mandel3333to66, math_Voigt66to3333, math_mul3x3 - use IO - use material - use lattice, only: lattice_sn, lattice_st, lattice_SlipIntType - integer(pInt), intent(in) :: file - integer(pInt), parameter :: maxNchunks = 7 - integer(pInt), dimension(1+2*maxNchunks) :: positions - integer(pInt) section, maxNinstance, i,j,k,l, output - character(len=64) tag - character(len=1024) line - real(pReal) x,y - - - maxNinstance = count(phase_constitution == constitutive_dislobased_label) - if (maxNinstance == 0) return - - allocate(constitutive_dislobased_sizeDotState(maxNinstance)) ; constitutive_dislobased_sizeDotState = 0_pInt - allocate(constitutive_dislobased_sizeState(maxNinstance)) ; constitutive_dislobased_sizeState = 0_pInt - allocate(constitutive_dislobased_sizePostResults(maxNinstance)); constitutive_dislobased_sizePostResults = 0_pInt - allocate(constitutive_dislobased_output(maxval(phase_Noutput), & - maxNinstance)) ; constitutive_dislobased_output = '' - allocate(constitutive_dislobased_structure(maxNinstance)) ; constitutive_dislobased_structure = 0_pInt - allocate(constitutive_dislobased_Nslip(maxNinstance)) ; constitutive_dislobased_Nslip = 0_pInt - allocate(constitutive_dislobased_C11(maxNinstance)) ; constitutive_dislobased_C11 = 0.0_pReal - allocate(constitutive_dislobased_C12(maxNinstance)) ; constitutive_dislobased_C12 = 0.0_pReal - allocate(constitutive_dislobased_C13(maxNinstance)) ; constitutive_dislobased_C13 = 0.0_pReal - allocate(constitutive_dislobased_C33(maxNinstance)) ; constitutive_dislobased_C33 = 0.0_pReal - allocate(constitutive_dislobased_C44(maxNinstance)) ; constitutive_dislobased_C44 = 0.0_pReal - allocate(constitutive_dislobased_Gmod(maxNinstance)) ; constitutive_dislobased_Gmod = 0.0_pReal - allocate(constitutive_dislobased_Cslip_66(6,6,maxNinstance)) ; constitutive_dislobased_Cslip_66 = 0.0_pReal - allocate(constitutive_dislobased_rho0(maxNinstance)) ; constitutive_dislobased_rho0 = 0.0_pReal - allocate(constitutive_dislobased_bg(maxNinstance)) ; constitutive_dislobased_bg = 0.0_pReal - allocate(constitutive_dislobased_Qedge(maxNinstance)) ; constitutive_dislobased_Qedge = 0.0_pReal - allocate(constitutive_dislobased_Qsd(maxNinstance)) ; constitutive_dislobased_Qsd = 0.0_pReal - allocate(constitutive_dislobased_D0(maxNinstance)) ; constitutive_dislobased_D0 = 0.0_pReal - allocate(constitutive_dislobased_c1(maxNinstance)) ; constitutive_dislobased_c1 = 0.0_pReal - allocate(constitutive_dislobased_c2(maxNinstance)) ; constitutive_dislobased_c2 = 0.0_pReal - allocate(constitutive_dislobased_c3(maxNinstance)) ; constitutive_dislobased_c3 = 0.0_pReal - allocate(constitutive_dislobased_c4(maxNinstance)) ; constitutive_dislobased_c4 = 0.0_pReal - allocate(constitutive_dislobased_c5(maxNinstance)) ; constitutive_dislobased_c5 = 0.0_pReal - allocate(constitutive_dislobased_c6(maxNinstance)) ; constitutive_dislobased_c6 = 0.0_pReal - allocate(constitutive_dislobased_c7(maxNinstance)) ; constitutive_dislobased_c7 = 0.0_pReal - allocate(constitutive_dislobased_c8(maxNinstance)) ; constitutive_dislobased_c8 = 0.0_pReal - allocate(constitutive_dislobased_SlipIntCoeff(6,maxNinstance)) ; constitutive_dislobased_SlipIntCoeff = 0.0_pReal - - rewind(file) - line = '' - section = 0 - - do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to - read(file,'(a1024)',END=100) line - enddo - - do ! read thru sections of phase part - read(file,'(a1024)',END=100) line - if (IO_isBlank(line)) cycle ! skip empty lines - if (IO_getTag(line,'<','>') /= '') exit ! stop at next part - if (IO_getTag(line,'[',']') /= '') then ! next section - section = section + 1 - output = 0 ! reset output counter - endif - if (section > 0 .and. phase_constitution(section) == constitutive_dislobased_label) then ! one of my sections - i = phase_constitutionInstance(section) ! which instance of my constitution is present phase - positions = IO_stringPos(line,maxNchunks) - tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key - select case(tag) - case ('(output)') - output = output + 1 - constitutive_dislobased_output(output,i) = IO_lc(IO_stringValue(line,positions,2)) - case ('lattice_structure') - constitutive_dislobased_structure(i) = IO_intValue(line,positions,2) - case ('nslip') - constitutive_dislobased_Nslip(i) = IO_intValue(line,positions,2) - case ('c11') - constitutive_dislobased_C11(i) = IO_floatValue(line,positions,2) - case ('c12') - constitutive_dislobased_C12(i) = IO_floatValue(line,positions,2) - case ('c13') - constitutive_dislobased_C13(i) = IO_floatValue(line,positions,2) - case ('c33') - constitutive_dislobased_C33(i) = IO_floatValue(line,positions,2) - case ('c44') - constitutive_dislobased_C44(i) = IO_floatValue(line,positions,2) - case ('rho0') - constitutive_dislobased_rho0(i) = IO_floatValue(line,positions,2) - case ('burgers') - constitutive_dislobased_bg(i) = IO_floatValue(line,positions,2) - case ('Qedge') - constitutive_dislobased_Qedge(i) = IO_floatValue(line,positions,2) - case ('Qsd') - constitutive_dislobased_Qsd(i) = IO_floatValue(line,positions,2) - case ('diff0') - constitutive_dislobased_D0(i) = IO_floatValue(line,positions,2) - case ('c1') - constitutive_dislobased_c1(i) = IO_floatValue(line,positions,2) - case ('c2') - constitutive_dislobased_c2(i) = IO_floatValue(line,positions,2) - case ('c3') - constitutive_dislobased_c3(i) = IO_floatValue(line,positions,2) - case ('c4') - constitutive_dislobased_c4(i) = IO_floatValue(line,positions,2) - case ('c5') - constitutive_dislobased_c5(i) = IO_floatValue(line,positions,2) - case ('c6') - constitutive_dislobased_c6(i) = IO_floatValue(line,positions,2) - case ('c7') - constitutive_dislobased_c7(i) = IO_floatValue(line,positions,2) - case ('c8') - constitutive_dislobased_c8(i) = IO_floatValue(line,positions,2) - case ('interaction_coefficients') - forall (j=2:min(7,positions(1))) & - constitutive_dislobased_SlipIntCoeff(j-1,i) = IO_floatValue(line,positions,j) - end select - endif - enddo - - -100 do i = 1,maxNinstance ! sanity checks - if (constitutive_dislobased_structure(i) < 1 .or. & - constitutive_dislobased_structure(i) > 3) call IO_error(201) - if (constitutive_dislobased_Nslip(i) < 1) call IO_error(202) - if (constitutive_dislobased_rho0(i) < 0.0_pReal) call IO_error(220) - if (constitutive_dislobased_bg(i) <= 0.0_pReal) call IO_error(221) - if (constitutive_dislobased_Qedge(i) <= 0.0_pReal) call IO_error(222) - if (constitutive_dislobased_Qsd(i) <= 0.0_pReal) call IO_error(223) - if (constitutive_dislobased_D0(i) <= 0.0_pReal) call IO_error(224) - enddo - - allocate(constitutive_dislobased_Iparallel(maxval(constitutive_dislobased_Nslip),& - maxval(constitutive_dislobased_Nslip),& - maxNinstance)) - - allocate(constitutive_dislobased_Iforest(maxval(constitutive_dislobased_Nslip),& - maxval(constitutive_dislobased_Nslip),& - maxNinstance)) - - do i = 1,maxNinstance - constitutive_dislobased_sizeDotState(i) = constitutive_dislobased_Nslip(i) - constitutive_dislobased_sizeState(i) = constitutive_dislobased_Nslip(i) - - do j = 1,maxval(phase_Noutput) - select case(constitutive_dislobased_output(j,i)) - case('dislodensity') - constitutive_dislobased_sizePostResults(i) = & - constitutive_dislobased_sizePostResults(i) + constitutive_dislobased_Nslip(i) - case('rateofshear') - constitutive_dislobased_sizePostResults(i) = & - constitutive_dislobased_sizePostResults(i) + constitutive_dislobased_Nslip(i) - end select - enddo - - constitutive_dislobased_Gmod(i) = constitutive_dislobased_C44(i) - select case (constitutive_dislobased_structure(i)) - case(1:2) ! cubic(s) - forall(k=1:3) - forall(j=1:3) & - constitutive_dislobased_Cslip_66(k,j,i) = constitutive_dislobased_C12(i) - constitutive_dislobased_Cslip_66(k,k,i) = constitutive_dislobased_C11(i) - constitutive_dislobased_Cslip_66(k+3,k+3,i) = constitutive_dislobased_C44(i) - end forall - case(3) ! hcp - constitutive_dislobased_Cslip_66(1,1,i) = constitutive_dislobased_C11(i) - constitutive_dislobased_Cslip_66(2,2,i) = constitutive_dislobased_C11(i) - constitutive_dislobased_Cslip_66(3,3,i) = constitutive_dislobased_C33(i) - constitutive_dislobased_Cslip_66(1,2,i) = constitutive_dislobased_C12(i) - constitutive_dislobased_Cslip_66(2,1,i) = constitutive_dislobased_C12(i) - constitutive_dislobased_Cslip_66(1,3,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(3,1,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(2,3,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(3,2,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(4,4,i) = constitutive_dislobased_C44(i) - constitutive_dislobased_Cslip_66(5,5,i) = constitutive_dislobased_C44(i) - constitutive_dislobased_Cslip_66(6,6,i) = 0.5_pReal*(constitutive_dislobased_C11(i)- & - constitutive_dislobased_C12(i)) - end select - constitutive_dislobased_Cslip_66(:,:,i) = & - math_Mandel3333to66(math_Voigt66to3333(constitutive_dislobased_Cslip_66(:,:,i))) - - - !* Construction of the hardening matrices - !* Iteration over the systems - do j = 1,constitutive_dislobased_Nslip(i) - do k = 1,constitutive_dislobased_Nslip(i) - !* Projection of the dislocation * - x = math_mul3x3(lattice_sn(:,j,i),lattice_st(:,k,i)) - y = 1.0_pReal-x**(2.0_pReal) - !* Interaction matrix * - constitutive_dislobased_Iforest(j,k,i)=abs(x)*& - constitutive_dislobased_SlipIntCoeff(lattice_SlipIntType(j,k,constitutive_dislobased_structure(i)),i) - if (y>0.0_pReal) then - constitutive_dislobased_Iparallel(j,k,i)=sqrt(y)*& - constitutive_dislobased_SlipIntCoeff(lattice_SlipIntType(j,k,constitutive_dislobased_structure(i)),i) - else - constitutive_dislobased_Iparallel(j,k,i)=0.0_pReal - endif - enddo - enddo - - enddo - - return - -end subroutine +subroutine constitutive_dislobased_init(file) +!************************************** +!* Module initialization * +!************************************** + use prec, only: pInt, pReal + use math, only: math_Mandel3333to66, math_Voigt66to3333, math_mul3x3 + use IO + use material + use lattice, only: lattice_sn, lattice_st, lattice_SlipIntType + integer(pInt), intent(in) :: file + integer(pInt), parameter :: maxNchunks = 7 + integer(pInt), dimension(1+2*maxNchunks) :: positions + integer(pInt) section, maxNinstance, i,j,k,l, output + character(len=64) tag + character(len=1024) line + real(pReal) x,y + + + maxNinstance = count(phase_constitution == constitutive_dislobased_label) + if (maxNinstance == 0) return + + allocate(constitutive_dislobased_sizeDotState(maxNinstance)) ; constitutive_dislobased_sizeDotState = 0_pInt + allocate(constitutive_dislobased_sizeState(maxNinstance)) ; constitutive_dislobased_sizeState = 0_pInt + allocate(constitutive_dislobased_sizePostResults(maxNinstance)); constitutive_dislobased_sizePostResults = 0_pInt + allocate(constitutive_dislobased_output(maxval(phase_Noutput), & + maxNinstance)) ; constitutive_dislobased_output = '' + allocate(constitutive_dislobased_structure(maxNinstance)) ; constitutive_dislobased_structure = 0_pInt + allocate(constitutive_dislobased_Nslip(maxNinstance)) ; constitutive_dislobased_Nslip = 0_pInt + allocate(constitutive_dislobased_C11(maxNinstance)) ; constitutive_dislobased_C11 = 0.0_pReal + allocate(constitutive_dislobased_C12(maxNinstance)) ; constitutive_dislobased_C12 = 0.0_pReal + allocate(constitutive_dislobased_C13(maxNinstance)) ; constitutive_dislobased_C13 = 0.0_pReal + allocate(constitutive_dislobased_C33(maxNinstance)) ; constitutive_dislobased_C33 = 0.0_pReal + allocate(constitutive_dislobased_C44(maxNinstance)) ; constitutive_dislobased_C44 = 0.0_pReal + allocate(constitutive_dislobased_Gmod(maxNinstance)) ; constitutive_dislobased_Gmod = 0.0_pReal + allocate(constitutive_dislobased_Cslip_66(6,6,maxNinstance)) ; constitutive_dislobased_Cslip_66 = 0.0_pReal + allocate(constitutive_dislobased_rho0(maxNinstance)) ; constitutive_dislobased_rho0 = 0.0_pReal + allocate(constitutive_dislobased_bg(maxNinstance)) ; constitutive_dislobased_bg = 0.0_pReal + allocate(constitutive_dislobased_Qedge(maxNinstance)) ; constitutive_dislobased_Qedge = 0.0_pReal + allocate(constitutive_dislobased_Qsd(maxNinstance)) ; constitutive_dislobased_Qsd = 0.0_pReal + allocate(constitutive_dislobased_D0(maxNinstance)) ; constitutive_dislobased_D0 = 0.0_pReal + allocate(constitutive_dislobased_c1(maxNinstance)) ; constitutive_dislobased_c1 = 0.0_pReal + allocate(constitutive_dislobased_c2(maxNinstance)) ; constitutive_dislobased_c2 = 0.0_pReal + allocate(constitutive_dislobased_c3(maxNinstance)) ; constitutive_dislobased_c3 = 0.0_pReal + allocate(constitutive_dislobased_c4(maxNinstance)) ; constitutive_dislobased_c4 = 0.0_pReal + allocate(constitutive_dislobased_c5(maxNinstance)) ; constitutive_dislobased_c5 = 0.0_pReal + allocate(constitutive_dislobased_c6(maxNinstance)) ; constitutive_dislobased_c6 = 0.0_pReal + allocate(constitutive_dislobased_c7(maxNinstance)) ; constitutive_dislobased_c7 = 0.0_pReal + allocate(constitutive_dislobased_c8(maxNinstance)) ; constitutive_dislobased_c8 = 0.0_pReal + allocate(constitutive_dislobased_SlipIntCoeff(6,maxNinstance)) ; constitutive_dislobased_SlipIntCoeff = 0.0_pReal + + rewind(file) + line = '' + section = 0 + + do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to + read(file,'(a1024)',END=100) line + enddo + + do ! read thru sections of phase part + read(file,'(a1024)',END=100) line + if (IO_isBlank(line)) cycle ! skip empty lines + if (IO_getTag(line,'<','>') /= '') exit ! stop at next part + if (IO_getTag(line,'[',']') /= '') then ! next section + section = section + 1 + output = 0 ! reset output counter + endif + if (section > 0 .and. phase_constitution(section) == constitutive_dislobased_label) then ! one of my sections + i = phase_constitutionInstance(section) ! which instance of my constitution is present phase + positions = IO_stringPos(line,maxNchunks) + tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key + select case(tag) + case ('(output)') + output = output + 1 + constitutive_dislobased_output(output,i) = IO_lc(IO_stringValue(line,positions,2)) + case ('lattice_structure') + constitutive_dislobased_structure(i) = IO_intValue(line,positions,2) + case ('nslip') + constitutive_dislobased_Nslip(i) = IO_intValue(line,positions,2) + case ('c11') + constitutive_dislobased_C11(i) = IO_floatValue(line,positions,2) + case ('c12') + constitutive_dislobased_C12(i) = IO_floatValue(line,positions,2) + case ('c13') + constitutive_dislobased_C13(i) = IO_floatValue(line,positions,2) + case ('c33') + constitutive_dislobased_C33(i) = IO_floatValue(line,positions,2) + case ('c44') + constitutive_dislobased_C44(i) = IO_floatValue(line,positions,2) + case ('rho0') + constitutive_dislobased_rho0(i) = IO_floatValue(line,positions,2) + case ('burgers') + constitutive_dislobased_bg(i) = IO_floatValue(line,positions,2) + case ('Qedge') + constitutive_dislobased_Qedge(i) = IO_floatValue(line,positions,2) + case ('Qsd') + constitutive_dislobased_Qsd(i) = IO_floatValue(line,positions,2) + case ('diff0') + constitutive_dislobased_D0(i) = IO_floatValue(line,positions,2) + case ('c1') + constitutive_dislobased_c1(i) = IO_floatValue(line,positions,2) + case ('c2') + constitutive_dislobased_c2(i) = IO_floatValue(line,positions,2) + case ('c3') + constitutive_dislobased_c3(i) = IO_floatValue(line,positions,2) + case ('c4') + constitutive_dislobased_c4(i) = IO_floatValue(line,positions,2) + case ('c5') + constitutive_dislobased_c5(i) = IO_floatValue(line,positions,2) + case ('c6') + constitutive_dislobased_c6(i) = IO_floatValue(line,positions,2) + case ('c7') + constitutive_dislobased_c7(i) = IO_floatValue(line,positions,2) + case ('c8') + constitutive_dislobased_c8(i) = IO_floatValue(line,positions,2) + case ('interaction_coefficients') + forall (j=2:min(7,positions(1))) & + constitutive_dislobased_SlipIntCoeff(j-1,i) = IO_floatValue(line,positions,j) + end select + endif + enddo + + +100 do i = 1,maxNinstance ! sanity checks + if (constitutive_dislobased_structure(i) < 1 .or. & + constitutive_dislobased_structure(i) > 3) call IO_error(201) + if (constitutive_dislobased_Nslip(i) < 1) call IO_error(202) + if (constitutive_dislobased_rho0(i) < 0.0_pReal) call IO_error(220) + if (constitutive_dislobased_bg(i) <= 0.0_pReal) call IO_error(221) + if (constitutive_dislobased_Qedge(i) <= 0.0_pReal) call IO_error(222) + if (constitutive_dislobased_Qsd(i) <= 0.0_pReal) call IO_error(223) + if (constitutive_dislobased_D0(i) <= 0.0_pReal) call IO_error(224) + enddo + + allocate(constitutive_dislobased_Iparallel(maxval(constitutive_dislobased_Nslip),& + maxval(constitutive_dislobased_Nslip),& + maxNinstance)) + + allocate(constitutive_dislobased_Iforest(maxval(constitutive_dislobased_Nslip),& + maxval(constitutive_dislobased_Nslip),& + maxNinstance)) + + do i = 1,maxNinstance + constitutive_dislobased_sizeDotState(i) = constitutive_dislobased_Nslip(i) + constitutive_dislobased_sizeState(i) = constitutive_dislobased_Nslip(i) + + do j = 1,maxval(phase_Noutput) + select case(constitutive_dislobased_output(j,i)) + case('dislodensity') + constitutive_dislobased_sizePostResults(i) = & + constitutive_dislobased_sizePostResults(i) + constitutive_dislobased_Nslip(i) + case('rateofshear') + constitutive_dislobased_sizePostResults(i) = & + constitutive_dislobased_sizePostResults(i) + constitutive_dislobased_Nslip(i) + end select + enddo + + constitutive_dislobased_Gmod(i) = constitutive_dislobased_C44(i) + select case (constitutive_dislobased_structure(i)) + case(1:2) ! cubic(s) + forall(k=1:3) + forall(j=1:3) & + constitutive_dislobased_Cslip_66(k,j,i) = constitutive_dislobased_C12(i) + constitutive_dislobased_Cslip_66(k,k,i) = constitutive_dislobased_C11(i) + constitutive_dislobased_Cslip_66(k+3,k+3,i) = constitutive_dislobased_C44(i) + end forall + case(3) ! hcp + constitutive_dislobased_Cslip_66(1,1,i) = constitutive_dislobased_C11(i) + constitutive_dislobased_Cslip_66(2,2,i) = constitutive_dislobased_C11(i) + constitutive_dislobased_Cslip_66(3,3,i) = constitutive_dislobased_C33(i) + constitutive_dislobased_Cslip_66(1,2,i) = constitutive_dislobased_C12(i) + constitutive_dislobased_Cslip_66(2,1,i) = constitutive_dislobased_C12(i) + constitutive_dislobased_Cslip_66(1,3,i) = constitutive_dislobased_C13(i) + constitutive_dislobased_Cslip_66(3,1,i) = constitutive_dislobased_C13(i) + constitutive_dislobased_Cslip_66(2,3,i) = constitutive_dislobased_C13(i) + constitutive_dislobased_Cslip_66(3,2,i) = constitutive_dislobased_C13(i) + constitutive_dislobased_Cslip_66(4,4,i) = constitutive_dislobased_C44(i) + constitutive_dislobased_Cslip_66(5,5,i) = constitutive_dislobased_C44(i) + constitutive_dislobased_Cslip_66(6,6,i) = 0.5_pReal*(constitutive_dislobased_C11(i)- & + constitutive_dislobased_C12(i)) + end select + constitutive_dislobased_Cslip_66(:,:,i) = & + math_Mandel3333to66(math_Voigt66to3333(constitutive_dislobased_Cslip_66(:,:,i))) + + + !* Construction of the hardening matrices + !* Iteration over the systems + do j = 1,constitutive_dislobased_Nslip(i) + do k = 1,constitutive_dislobased_Nslip(i) + !* Projection of the dislocation * + x = math_mul3x3(lattice_sn(:,j,i),lattice_st(:,k,i)) + y = 1.0_pReal-x**(2.0_pReal) + !* Interaction matrix * + constitutive_dislobased_Iforest(j,k,i)=abs(x)*& + constitutive_dislobased_SlipIntCoeff(lattice_SlipIntType(j,k,constitutive_dislobased_structure(i)),i) + if (y>0.0_pReal) then + constitutive_dislobased_Iparallel(j,k,i)=sqrt(y)*& + constitutive_dislobased_SlipIntCoeff(lattice_SlipIntType(j,k,constitutive_dislobased_structure(i)),i) + else + constitutive_dislobased_Iparallel(j,k,i)=0.0_pReal + endif + enddo + enddo + + enddo + + return + +end subroutine -function constitutive_dislobased_stateInit(ipc,ip,el) -!********************************************************************* -!* initial microstructural state * -!********************************************************************* - use prec, only: pReal,pInt - use material, only: material_phase, phase_constitutionInstance - implicit none - -!* Definition of variables - integer(pInt), intent(in) :: ipc,ip,el - integer(pInt) matID - real(pReal), dimension(constitutive_dislobased_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - constitutive_dislobased_stateInit - - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - constitutive_dislobased_stateInit = constitutive_dislobased_rho0(matID) - - return -end function +function constitutive_dislobased_stateInit(ipc,ip,el) +!********************************************************************* +!* initial microstructural state * +!********************************************************************* + use prec, only: pReal,pInt + use material, only: material_phase, phase_constitutionInstance + implicit none + +!* Definition of variables + integer(pInt), intent(in) :: ipc,ip,el + integer(pInt) matID + real(pReal), dimension(constitutive_dislobased_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & + constitutive_dislobased_stateInit + + matID = phase_constitutionInstance(material_phase(ipc,ip,el)) + constitutive_dislobased_stateInit = constitutive_dislobased_rho0(matID) + + return +end function + +function constitutive_dislobased_homogenizedC(state,ipc,ip,el) +!********************************************************************* +!* homogenized elacticity matrix * +!* INPUT: * +!* - state : state variables * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!********************************************************************* + use prec, only: pReal,pInt,p_vec + use mesh, only: mesh_NcpElems,mesh_maxNips + use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance + implicit none + +!* Definition of variables + integer(pInt), intent(in) :: ipc,ip,el + integer(pInt) matID + real(pReal), dimension(6,6) :: constitutive_dislobased_homogenizedC + type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state + + matID = phase_constitutionInstance(material_phase(ipc,ip,el)) + constitutive_dislobased_homogenizedC = constitutive_dislobased_Cslip_66(:,:,matID) + + return + +end function -function constitutive_dislobased_homogenizedC(state,ipc,ip,el) -!********************************************************************* -!* homogenized elacticity matrix * -!* INPUT: * -!* - state : state variables * -!* - ipc : component-ID of current integration point * -!* - ip : current integration point * -!* - el : current element * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance - implicit none - -!* Definition of variables - integer(pInt), intent(in) :: ipc,ip,el - integer(pInt) matID - real(pReal), dimension(6,6) :: constitutive_dislobased_homogenizedC - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - constitutive_dislobased_homogenizedC = constitutive_dislobased_Cslip_66(:,:,matID) - - return - -end function - - -subroutine constitutive_dislobased_microstructure(Temperature,state,ipc,ip,el) -!********************************************************************* -!* calculate derived quantities from state (not used here) * -!* INPUT: * -!* - Tp : temperature * -!* - ipc : component-ID of current integration point * -!* - ip : current integration point * -!* - el : current element * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance - implicit none - -!* Definition of variables - integer(pInt) ipc,ip,el,matID,n,i - real(pReal) Temperature - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) - - !* Quantities derived from state - slip - !* State: 1 : n rho - !* n+1 : 2n rho_f - !* 2n+1 : 3n rho_p - !* 3n+1 : 4n passing stress - !* 4n+1 : 5n jump width - !* 5n+1 : 6n activation volume - !* 6n+1 : 7n rho_m - !* 7n+1 : 8n g0_slip - !$OMP CRITICAL (evilmatmul) - state(ipc,ip,el)%p((n+1):(2*n)) = matmul(constitutive_dislobased_Iforest (1:n,1:n,matID),state(ipc,ip,el)%p(1:n)) - state(ipc,ip,el)%p((2*n+1):(3*n)) = matmul(constitutive_dislobased_Iparallel(1:n,1:n,matID),state(ipc,ip,el)%p(1:n)) - !$OMP END CRITICAL (evilmatmul) - - do i=1,n - - state(ipc,ip,el)%p(3*n+i) = & - constitutive_dislobased_c1(matID)*constitutive_dislobased_Gmod(matID)*& - constitutive_dislobased_bg(matID)*sqrt(state(ipc,ip,el)%p(2*n+i)) - - state(ipc,ip,el)%p(4*n+i) = & - constitutive_dislobased_c2(matID)/sqrt(state(ipc,ip,el)%p(n+i)) - - state(ipc,ip,el)%p(5*n+i) = & - constitutive_dislobased_c3(matID)*state(ipc,ip,el)%p(4*n+i)*constitutive_dislobased_bg(matID)**2.0_pReal - - state(ipc,ip,el)%p(6*n+i) = & - (2.0_pReal*kB*Temperature*sqrt(state(ipc,ip,el)%p(2*n+i)))/& - (constitutive_dislobased_c1(matID)*constitutive_dislobased_c3(matID)*constitutive_dislobased_Gmod(matID)*& - state(ipc,ip,el)%p(4*n+i)*constitutive_dislobased_bg(matID)**3.0_pReal) - - state(ipc,ip,el)%p(7*n+i) = & - state(ipc,ip,el)%p(6*n+i)*constitutive_dislobased_bg(matID)*attack_frequency*state(ipc,ip,el)%p(4*n+i)*& - exp(-constitutive_dislobased_Qedge(matID)/(kB*Temperature)) - - enddo - -end subroutine - - -subroutine constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,state,ipc,ip,el) -!********************************************************************* -!* plastic velocity gradient and its tangent * -!* INPUT: * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!* OUTPUT: * -!* - Lp : plastic velocity gradient * -!* - dLp_dTstar : derivative of Lp (4th-rank tensor) * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use math, only: math_Plain3333to99, math_mul6x6 - use lattice, only: lattice_Sslip,lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance - - implicit none - -!* Definition of variables - integer(pInt) ipc,ip,el - integer(pInt) matID,i,k,l,m,n - real(pReal) Temperature - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - real(pReal), dimension(6) :: Tstar_v - real(pReal), dimension(3,3) :: Lp - real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 - real(pReal), dimension(9,9) :: dLp_dTstar - real(pReal), dimension(constitutive_dislobased_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - gdot_slip,dgdot_dtauslip,tau_slip - - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) - -!* Calculation of Lp - Lp = 0.0_pReal - do i = 1,constitutive_dislobased_Nslip(matID) - tau_slip(i) = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) - gdot_slip(i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip(i))*& - sinh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - Lp = Lp + gdot_slip(i)*lattice_Sslip(:,:,i,constitutive_dislobased_structure(matID)) - enddo - - -!* Calculation of the tangent of Lp - dLp_dTstar3333 = 0.0_pReal - dLp_dTstar = 0.0_pReal - do i = 1,constitutive_dislobased_Nslip(matID) - dgdot_dtauslip(i) = (state(ipc,ip,el)%p(7*n+i)*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)*& - cosh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - forall (k=1:3,l=1:3,m=1:3,n=1:3) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & - dgdot_dtauslip(i)*lattice_Sslip(k,l,i,constitutive_dislobased_structure(matID))* & - lattice_Sslip(m,n,i,constitutive_dislobased_structure(matID)) - enddo - dLp_dTstar = math_Plain3333to99(dLp_dTstar3333) - - return -end subroutine - +subroutine constitutive_dislobased_microstructure(Temperature,state,ipc,ip,el) +!********************************************************************* +!* calculate derived quantities from state (not used here) * +!* INPUT: * +!* - Tp : temperature * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!********************************************************************* + use prec, only: pReal,pInt,p_vec + use mesh, only: mesh_NcpElems,mesh_maxNips + use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance + implicit none -function constitutive_dislobased_dotState(Tstar_v,Temperature,state,ipc,ip,el) -!********************************************************************* -!* rate of change of microstructure * -!* INPUT: * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!* OUTPUT: * -!* - constitutive_dotState : evolution of state variable * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use lattice, only: lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance - implicit none - -!* Definition of variables - integer(pInt) ipc,ip,el - integer(pInt) matID,i,n - real(pReal) Temperature,tau_slip,gdot_slip,locks,athermal_recovery,thermal_recovery - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - real(pReal), dimension(6) :: Tstar_v - real(pReal), dimension(constitutive_dislobased_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - constitutive_dislobased_dotState - - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) - -!* Dislocation density evolution - constitutive_dislobased_dotState = 0.0_pReal - do i = 1,n - tau_slip = dot_product(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) - if (abs(tau_slip) > state(ipc,ip,el)%p(3*n+i)) then - gdot_slip = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*& - sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - locks = (sqrt(state(ipc,ip,el)%p(n+i))*abs(gdot_slip))/& - (constitutive_dislobased_c4(matID)*constitutive_dislobased_bg(matID)) - athermal_recovery = constitutive_dislobased_c7(matID)*state(ipc,ip,el)%p(i)*abs(gdot_slip) - thermal_recovery = constitutive_dislobased_c8(matID)*abs(tau_slip)*state(ipc,ip,el)%p(i)**(2.0_pReal)*& - ((constitutive_dislobased_D0(matID)*constitutive_dislobased_bg(matID)**(3.0_pReal))/& - (kB*Temperature))*exp(-constitutive_dislobased_Qsd(matID)/(kB*Temperature)) - constitutive_dislobased_dotState(i) = locks - athermal_recovery !-thermal_recovery - endif - enddo - - return -end function +!* Definition of variables + integer(pInt) ipc,ip,el,matID,n,i + real(pReal) Temperature + type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state + + matID = phase_constitutionInstance(material_phase(ipc,ip,el)) + n = constitutive_dislobased_Nslip(matID) + + !* Quantities derived from state - slip + !* State: 1 : n rho + !* n+1 : 2n rho_f + !* 2n+1 : 3n rho_p + !* 3n+1 : 4n passing stress + !* 4n+1 : 5n jump width + !* 5n+1 : 6n activation volume + !* 6n+1 : 7n rho_m + !* 7n+1 : 8n g0_slip + !$OMP CRITICAL (evilmatmul) + state(ipc,ip,el)%p((n+1):(2*n)) = matmul(constitutive_dislobased_Iforest (1:n,1:n,matID),state(ipc,ip,el)%p(1:n)) + state(ipc,ip,el)%p((2*n+1):(3*n)) = matmul(constitutive_dislobased_Iparallel(1:n,1:n,matID),state(ipc,ip,el)%p(1:n)) + !$OMP END CRITICAL (evilmatmul) + + do i=1,n + + state(ipc,ip,el)%p(3*n+i) = & + constitutive_dislobased_c1(matID)*constitutive_dislobased_Gmod(matID)*& + constitutive_dislobased_bg(matID)*sqrt(state(ipc,ip,el)%p(2*n+i)) + + state(ipc,ip,el)%p(4*n+i) = & + constitutive_dislobased_c2(matID)/sqrt(state(ipc,ip,el)%p(n+i)) + + state(ipc,ip,el)%p(5*n+i) = & + constitutive_dislobased_c3(matID)*state(ipc,ip,el)%p(4*n+i)*constitutive_dislobased_bg(matID)**2.0_pReal + + state(ipc,ip,el)%p(6*n+i) = & + (2.0_pReal*kB*Temperature*sqrt(state(ipc,ip,el)%p(2*n+i)))/& + (constitutive_dislobased_c1(matID)*constitutive_dislobased_c3(matID)*constitutive_dislobased_Gmod(matID)*& + state(ipc,ip,el)%p(4*n+i)*constitutive_dislobased_bg(matID)**3.0_pReal) + + state(ipc,ip,el)%p(7*n+i) = & + state(ipc,ip,el)%p(6*n+i)*constitutive_dislobased_bg(matID)*attack_frequency*state(ipc,ip,el)%p(4*n+i)*& + exp(-constitutive_dislobased_Qedge(matID)/(kB*Temperature)) + + enddo + +end subroutine -pure function constitutive_dislobased_postResults(Tstar_v,Temperature,dt,state,ipc,ip,el) -!********************************************************************* -!* return array of constitutive results * -!* INPUT: * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - dt : current time increment * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use math, only: math_mul6x6 - use lattice, only: lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance,phase_Noutput - implicit none - -!* Definition of variables - integer(pInt), intent(in) :: ipc,ip,el - real(pReal), intent(in) :: dt,Temperature - real(pReal), dimension(6), intent(in) :: Tstar_v - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: state - integer(pInt) matID,o,i,c,n - real(pReal) tau_slip, active_rate - real(pReal), dimension(constitutive_dislobased_sizePostResults(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - constitutive_dislobased_postResults - - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) - c = 0_pInt - constitutive_dislobased_postResults = 0.0_pReal - - do o = 1,phase_Noutput(material_phase(ipc,ip,el)) - select case(constitutive_dislobased_output(o,matID)) - case ('dislodensity') - constitutive_dislobased_postResults(c+1:c+n) = state(ipc,ip,el)%p(1:n) - c = c + n - case ('rateofshear') - do i = 1,n - tau_slip = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) - constitutive_dislobased_postResults(c+i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*& - sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - enddo - c = c + n - end select - enddo - - return - -end function +subroutine constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,state,ipc,ip,el) +!********************************************************************* +!* plastic velocity gradient and its tangent * +!* INPUT: * +!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * +!* - ipc : component-ID at current integration point * +!* - ip : current integration point * +!* - el : current element * +!* OUTPUT: * +!* - Lp : plastic velocity gradient * +!* - dLp_dTstar : derivative of Lp (4th-rank tensor) * +!********************************************************************* + use prec, only: pReal,pInt,p_vec + use math, only: math_Plain3333to99, math_mul6x6 + use lattice, only: lattice_Sslip,lattice_Sslip_v + use mesh, only: mesh_NcpElems,mesh_maxNips + use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance + + implicit none + +!* Definition of variables + integer(pInt) ipc,ip,el + integer(pInt) matID,i,k,l,m,n + real(pReal) Temperature + type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state + real(pReal), dimension(6) :: Tstar_v + real(pReal), dimension(3,3) :: Lp + real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 + real(pReal), dimension(9,9) :: dLp_dTstar + real(pReal), dimension(constitutive_dislobased_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & + gdot_slip,dgdot_dtauslip,tau_slip + + matID = phase_constitutionInstance(material_phase(ipc,ip,el)) + n = constitutive_dislobased_Nslip(matID) + +!* Calculation of Lp + Lp = 0.0_pReal + do i = 1,constitutive_dislobased_Nslip(matID) + tau_slip(i) = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) + gdot_slip(i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip(i))*& + sinh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) + Lp = Lp + gdot_slip(i)*lattice_Sslip(:,:,i,constitutive_dislobased_structure(matID)) + enddo + + +!* Calculation of the tangent of Lp + dLp_dTstar3333 = 0.0_pReal + dLp_dTstar = 0.0_pReal + do i = 1,constitutive_dislobased_Nslip(matID) + dgdot_dtauslip(i) = (state(ipc,ip,el)%p(7*n+i)*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)*& + cosh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) + forall (k=1:3,l=1:3,m=1:3,n=1:3) & + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & + dgdot_dtauslip(i)*lattice_Sslip(k,l,i,constitutive_dislobased_structure(matID))* & + lattice_Sslip(m,n,i,constitutive_dislobased_structure(matID)) + enddo + dLp_dTstar = math_Plain3333to99(dLp_dTstar3333) + + return +end subroutine + + +function constitutive_dislobased_dotState(Tstar_v,Temperature,state,ipc,ip,el) +!********************************************************************* +!* rate of change of microstructure * +!* INPUT: * +!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * +!* - ipc : component-ID at current integration point * +!* - ip : current integration point * +!* - el : current element * +!* OUTPUT: * +!* - constitutive_dotState : evolution of state variable * +!********************************************************************* + use prec, only: pReal,pInt,p_vec + use lattice, only: lattice_Sslip_v + use mesh, only: mesh_NcpElems,mesh_maxNips + use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance + implicit none + +!* Definition of variables + integer(pInt) ipc,ip,el + integer(pInt) matID,i,n + real(pReal) Temperature,tau_slip,gdot_slip,locks,athermal_recovery,thermal_recovery + type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state + real(pReal), dimension(6) :: Tstar_v + real(pReal), dimension(constitutive_dislobased_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & + constitutive_dislobased_dotState + + matID = phase_constitutionInstance(material_phase(ipc,ip,el)) + n = constitutive_dislobased_Nslip(matID) + +!* Dislocation density evolution + constitutive_dislobased_dotState = 0.0_pReal + do i = 1,n + tau_slip = dot_product(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) + if (abs(tau_slip) > state(ipc,ip,el)%p(3*n+i)) then + gdot_slip = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*& + sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) + locks = (sqrt(state(ipc,ip,el)%p(n+i))*abs(gdot_slip))/& + (constitutive_dislobased_c4(matID)*constitutive_dislobased_bg(matID)) + athermal_recovery = constitutive_dislobased_c7(matID)*state(ipc,ip,el)%p(i)*abs(gdot_slip) + thermal_recovery = constitutive_dislobased_c8(matID)*abs(tau_slip)*state(ipc,ip,el)%p(i)**(2.0_pReal)*& + ((constitutive_dislobased_D0(matID)*constitutive_dislobased_bg(matID)**(3.0_pReal))/& + (kB*Temperature))*exp(-constitutive_dislobased_Qsd(matID)/(kB*Temperature)) + constitutive_dislobased_dotState(i) = locks - athermal_recovery !-thermal_recovery + endif + enddo + + return +end function + +pure function constitutive_dislobased_postResults(Tstar_v,Temperature,dt,state,ipc,ip,el) +!********************************************************************* +!* return array of constitutive results * +!* INPUT: * +!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * +!* - dt : current time increment * +!* - ipc : component-ID at current integration point * +!* - ip : current integration point * +!* - el : current element * +!********************************************************************* + use prec, only: pReal,pInt,p_vec + use math, only: math_mul6x6 + use lattice, only: lattice_Sslip_v + use mesh, only: mesh_NcpElems,mesh_maxNips + use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance,phase_Noutput + implicit none + +!* Definition of variables + integer(pInt), intent(in) :: ipc,ip,el + real(pReal), intent(in) :: dt,Temperature + real(pReal), dimension(6), intent(in) :: Tstar_v + type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: state + integer(pInt) matID,o,i,c,n + real(pReal) tau_slip, active_rate + real(pReal), dimension(constitutive_dislobased_sizePostResults(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & + constitutive_dislobased_postResults + + matID = phase_constitutionInstance(material_phase(ipc,ip,el)) + n = constitutive_dislobased_Nslip(matID) + c = 0_pInt + constitutive_dislobased_postResults = 0.0_pReal + + do o = 1,phase_Noutput(material_phase(ipc,ip,el)) + select case(constitutive_dislobased_output(o,matID)) + case ('dislodensity') + constitutive_dislobased_postResults(c+1:c+n) = state(ipc,ip,el)%p(1:n) + c = c + n + case ('rateofshear') + do i = 1,n + tau_slip = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) + constitutive_dislobased_postResults(c+i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*& + sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) + enddo + c = c + n + end select + enddo + + return + +end function END MODULE \ No newline at end of file diff --git a/trunk/constitutive_phenomenological.f90 b/trunk/constitutive_phenomenological.f90 index 9db9e31f4..970c1b504 100644 --- a/trunk/constitutive_phenomenological.f90 +++ b/trunk/constitutive_phenomenological.f90 @@ -7,6 +7,23 @@ !* - parameters definition * !***************************************************** +! [Alu] +! constitution phenomenological +! lattice_structure 1 +! Nslip 12 +! +! c11 106.75e9 +! c12 60.41e9 +! c44 28.34e9 +! +! s0_slip 31e6 +! gdot0_slip 0.001 +! n_slip 20 +! h0 75e6 +! s_sat 63e6 +! w0 2.25 +! latent_ratio 1.4 + MODULE constitutive_phenomenological !*** Include other modules ***