diff --git a/trunk/constitutive_dislo.f90 b/trunk/constitutive_dislo.f90 new file mode 100644 index 000000000..76fd79b56 --- /dev/null +++ b/trunk/constitutive_dislo.f90 @@ -0,0 +1,953 @@ + +!************************************ +!* Module: CONSTITUTIVE * +!************************************ +!* contains: * +!* - constitutive equations * +!* - parameters definition * +!* - orientations * +!************************************ + +MODULE constitutive + +!*** Include other modules *** +use prec, only: pReal,pInt +implicit none + +! MISSING consistency check after reading 'mattex.mpie' +character(len=300), parameter :: mattexFile = 'mattex.mpie' + +!************************************* +!* Definition of material properties * +!************************************* +!* Physical parameter, attack_frequency != Debye frequency +real(pReal), parameter :: attack_frequency = 1.0e10_pReal +!* Physical parameter, Boltzman constant in mJ/Kelvin +real(pReal), parameter :: Kb = 1.38e-20_pReal + +!************************************* +!* Definition of material properties * +!************************************* +!* Number of materials +integer(pInt) material_maxN +!* Crystal structure and number of selected slip systems per material +integer(pInt), dimension(:) , allocatable :: material_CrystalStructure +integer(pInt), dimension(:) , allocatable :: material_Nslip +!* Maximum number of selected slip systems over materials +integer(pInt) material_maxNslip +!* Elastic constants and matrices +real(pReal), dimension(:) , allocatable :: material_C11 +real(pReal), dimension(:) , allocatable :: material_C12 +real(pReal), dimension(:) , allocatable :: material_C13 +real(pReal), dimension(:) , allocatable :: material_C33 +real(pReal), dimension(:) , allocatable :: material_C44 +real(pReal), dimension(:) , allocatable :: material_Gmod +real(pReal), dimension(:,:,:), allocatable :: material_Cslip_66 +!* Visco-plastic material parameters +real(pReal), dimension(:) , allocatable :: material_rho0 +real(pReal), dimension(:) , allocatable :: material_bg +real(pReal), dimension(:) , allocatable :: material_Qedge +real(pReal), dimension(:) , allocatable :: material_tau0 +real(pReal), dimension(:) , allocatable :: material_c1 +real(pReal), dimension(:) , allocatable :: material_c2 +real(pReal), dimension(:) , allocatable :: material_c3 +real(pReal), dimension(:) , allocatable :: material_c4 +real(pReal), dimension(:) , allocatable :: material_c5 +real(pReal), dimension(:,:) , allocatable :: material_SlipIntCoeff + +!************************************ +!* Definition of texture properties * +!************************************ +!* Number of textures, maximum number of Gauss and Fiber components +integer(pInt) texture_maxN +integer(pInt) texture_maxNGauss +integer(pInt) texture_maxNFiber +!* Textures definition +character(len=80), dimension(:), allocatable :: texture_ODFfile +character(len=80), dimension(:), allocatable :: texture_symmetry +integer(pInt), dimension(:) , allocatable :: texture_Ngrains +integer(pInt), dimension(:) , allocatable :: texture_NGauss +integer(pInt),dimension(:) , allocatable :: texture_NFiber +integer(pInt),dimension(:) , allocatable :: texture_NRandom +integer(pInt),dimension(:) , allocatable :: texture_totalNgrains +real(pReal), dimension(:,:,:) , allocatable :: texture_Gauss +real(pReal), dimension(:,:,:) , allocatable :: texture_Fiber +real(pReal), dimension(:,:,:,:), allocatable :: constitutive_EulerAngles + +!************************************ +!* Grains * +!************************************ +integer(pInt) constitutive_maxNgrains +integer(pInt), dimension(:,:) , allocatable :: constitutive_Ngrains +integer(pInt), dimension(:,:,:) , allocatable :: constitutive_matID +real(pReal), dimension(:,:,:) , allocatable :: constitutive_matVolFrac +integer(pInt), dimension(:,:,:) , allocatable :: constitutive_texID +real(pReal), dimension(:,:,:) , allocatable :: constitutive_texVolFrac + +!************************************ +!* State variables * +!************************************ +integer(pInt) constitutive_maxNstatevars +integer(pInt), dimension(:,:,:), allocatable :: constitutive_Nstatevars +real(pReal), dimension(:,:,:,:), allocatable :: constitutive_state_old +real(pReal), dimension(:,:,:,:), allocatable :: constitutive_state_new +real(pReal), dimension(:) , allocatable :: constitutive_passing_stress +real(pReal), dimension(:) , allocatable :: constitutive_jump_width +real(pReal), dimension(:) , allocatable :: constitutive_activation_volume +real(pReal), dimension(:) , allocatable :: constitutive_rho_m +real(pReal), dimension(:) , allocatable :: constitutive_rho_f +real(pReal), dimension(:) , allocatable :: constitutive_rho_p +real(pReal), dimension(:) , allocatable :: constitutive_g0_slip + +!************************************ +!* Interaction matrices * +!************************************ +real(pReal), dimension(:,:,:), allocatable :: constitutive_Pforest +real(pReal), dimension(:,:,:), allocatable :: constitutive_Pparallel + +!************************************ +!* Results * +!************************************ +integer(pInt) constitutive_maxNresults +integer(pInt), dimension(:,:,:), allocatable :: constitutive_Nresults +real(pReal), dimension(:,:,:,:), allocatable :: constitutive_results + + + +CONTAINS +!**************************************** +!* - constitutive_Init +!* - constitutive_CountSections +!* - constitutive_Parse_UnknownPart +!* - constitutive_Parse_MaterialPart +!* - constitutive_Parse_TexturePart +!* - constitutive_Parse_MatTexDat +!* - constitutive_Assignment +!* - constitutive_HomogenizedC +!* - constitutive_Microstructure +!* - constitutive_LpAndItsTangent +!* - consistutive_DotState +!**************************************** + + +subroutine constitutive_Init() +!************************************** +!* Module initialization * +!************************************** +call constitutive_Parse_MatTexDat(mattexFile) +call constitutive_Assignment() +end subroutine + + +subroutine constitutive_CountSections(file,count,part) +!********************************************************************* +!* This subroutine reads a "part" from the input file until the next * +!* part is reached and counts the number of "sections" in the part * +!* INPUT: * +!* - file : file ID * +!* OUTPUT: * +!* - part : name of the next "part" * +!* - count : number of sections inside the current "part" * +!********************************************************************* +use prec, only: pInt +use IO, only: IO_stringPos,IO_stringValue,IO_lc +implicit none + +!* Definition of variables +character(len=80) part,line,tag +integer(pInt) file,count +integer(pInt), dimension(3) :: positions + +count=0 +part='' + +do + read(file,'(a80)',END=100) line + positions=IO_stringPos(line,1) + tag=IO_lc(IO_stringValue(line,positions,1)) + if (tag(1:1)=='#' .OR. positions(1)==0) then ! skip comment and empty lines + cycle + elseif (tag(1:1)=='<'.AND.tag(len_trim(tag):len_trim(tag))=='>') then + part=tag(2:len_trim(tag)-1) + exit + elseif (tag(1:1)=='[') then + count=count+1 + endif +enddo +100 return + +end subroutine + + +character(len=80) function constitutive_assignNGaussAndFiber(file) +!********************************************************************* +!********************************************************************* +use prec, only: pInt +use IO, only: IO_stringPos,IO_stringValue,IO_lc +implicit none + +!* Definition of variables +character(len=80) line,tag +integer(pInt) file,section +integer(pInt), dimension(3) :: positions + +constitutive_assignNGaussAndFiber='' +section = 0_pInt + +do + read(file,'(a80)',END=100) line + positions=IO_stringPos(line,1) + tag=IO_lc(IO_stringValue(line,positions,1)) + if (tag(1:1)=='#' .OR. positions(1)==0) then ! skip comment and empty lines + cycle + elseif (tag(1:1)=='<'.AND.tag(len_trim(tag):len_trim(tag))=='>') then + constitutive_assignNGaussAndFiber=tag(2:len_trim(tag)-1) + exit + elseif (tag(1:1)=='[') then + section=section+1 + texture_NGauss(section) = 0_pInt + texture_NFiber(section) = 0_pInt + elseif (tag=='(gauss)') then + texture_NGauss(section)=texture_NGauss(section)+1 + elseif (tag=='(fiber)') then + texture_NFiber(section)=texture_NFiber(section)+1 + endif +enddo +100 return + +end function + + +character(len=80) function constitutive_Parse_UnknownPart(file) +!********************************************************************* +!* read an unknown "part" from the input file until * +!* the next part is reached * +!* INPUT: * +!* - file : file ID * +!********************************************************************* +use prec, only: pInt +use IO, only: IO_stringPos,IO_stringValue,IO_lc +implicit none + +!* Definition of variables +character(len=80) line,tag +integer(pInt), parameter :: maxNchunks = 1 +integer(pInt) file +integer(pInt), dimension(1+2*maxNchunks) :: positions + +constitutive_parse_unknownPart='' + +do + read(file,'(a80)',END=100) line + positions=IO_stringPos(line,maxNchunks) + tag=IO_lc(IO_stringValue(line,positions,1)) + if (tag(1:1)=='#' .OR. positions(1)==0) then ! skip comment and empty lines + cycle + elseif (tag(1:1)=='<'.AND.tag(len_trim(tag):len_trim(tag))=='>') then + constitutive_Parse_UnknownPart=tag(2:len_trim(tag)-1) + exit + endif +enddo +100 return + +end function + + +character(len=80) function constitutive_Parse_MaterialPart(file) +!********************************************************************* +!* This function reads a material "part" from the input file until * +!* the next part is reached * +!* INPUT: * +!* - file : file ID * +!********************************************************************* +use prec, only: pInt,pReal +use IO +use crystal, only: crystal_MaxMaxNslipOfStructure +implicit none + +!* Definition of variables +character(len=80) line,tag +integer(pInt), parameter :: maxNchunks = 2 +integer(pInt) i,file,section +integer(pInt), dimension(1+2*maxNchunks) :: positions + +section = 0 +constitutive_parse_materialPart = '' + +do while(.true.) + read(file,'(a80)',END=100) line + positions=IO_stringPos(line,maxNchunks) ! parse leading chunks + tag=IO_lc(IO_stringValue(line,positions,1)) + if (tag(1:1)=='#' .OR. positions(1)==0) then ! skip comment and empty lines + cycle + elseif (tag(1:1)=='<'.AND.tag(len_trim(tag):len_trim(tag))=='>') then + constitutive_parse_materialPart=tag(2:len_trim(tag)-1) + exit + elseif (tag(1:1)=='[') then + section=section+1 + else + if (section>0) then + select case(tag) + case ('crystal_structure') + material_CrystalStructure(section)=IO_intValue(line,positions,2) + case ('nslip') + material_Nslip(section)=IO_intValue(line,positions,2) + case ('c11') + material_C11(section)=IO_floatValue(line,positions,2) + case ('c12') + material_C12(section)=IO_floatValue(line,positions,2) + case ('c13') + material_C13(section)=IO_floatValue(line,positions,2) + case ('c33') + material_C33(section)=IO_floatValue(line,positions,2) + case ('c44') + material_C44(section)=IO_floatValue(line,positions,2) + case ('rho0') !* conversion in 1/mm˛ + material_rho0(section)=IO_floatValue(line,positions,2)/1.0e6_pReal + case ('interaction_coefficient') + do i=1,crystal_MaxMaxNslipOfStructure + material_SlipIntCoeff(i,section)=IO_floatValue(line,positions,i+1) + enddo + case ('bg') !* conversion in mm + material_bg(section)=IO_floatValue(line,positions,2)*1.0e3_pReal + case ('Qedge') !* conversion in mJ/Kelvin + material_Qedge(section)=IO_floatValue(line,positions,2)*1.0e3_pReal + case ('tau0') + material_tau0(section)=IO_floatValue(line,positions,2) + case ('c1') + material_c1(section)=IO_floatValue(line,positions,2) + case ('c2') + material_c2(section)=IO_floatValue(line,positions,2) + case ('c3') + material_c3(section)=IO_floatValue(line,positions,2) + case ('c4') + material_c4(section)=IO_floatValue(line,positions,2) + case ('c5') + material_c5(section)=IO_floatValue(line,positions,2) + end select + endif + endif +enddo +100 return + +end function + + +character(len=80) function constitutive_Parse_TexturePart(file) +!********************************************************************* +!* This function reads a texture "part" from the input file until * +!* the next part is reached * +!* INPUT: * +!* - file : file ID * +!********************************************************************* +use prec, only: pInt +use IO +use math, only: inRad +implicit none + +!* Definition of variables +character(len=80) line,tag +integer(pInt), parameter :: maxNchunks = 13 ! may be more than 10 chunks ..? +integer(pInt) file,section,gaussCount,fiberCount,i +integer(pInt), dimension(1+2*maxNchunks) :: positions + +section = 0 +gaussCount = 0 +fiberCount = 0 +constitutive_parse_texturePart = '' + +do while(.true.) + read(file,'(a80)',END=100) line + positions=IO_stringPos(line,maxNchunks) ! parse leading chunks + tag=IO_lc(IO_stringValue(line,positions,1)) + if (tag(1:1)=='#' .OR. positions(1)==0) then ! skip comment and empty lines + cycle + elseif (tag(1:1)=='<'.AND.tag(len_trim(tag):len_trim(tag))=='>') then + constitutive_parse_texturePart=tag(2:len_trim(tag)-1) + exit + elseif (tag(1:1)=='[') then + section=section+1 + gaussCount=0 + fiberCount=0 + else + if (section>0) then + select case(tag) + case ('hybridIA') + texture_ODFfile(section)=IO_stringValue(line,positions,2) + case ('(gauss)') + gaussCount=gaussCount+1 + do i=2,10,2 + tag=IO_lc(IO_stringValue(line,positions,i)) + select case (tag) + case('phi1') + texture_Gauss(1,gaussCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('phi') + texture_Gauss(2,gaussCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('phi2') + texture_Gauss(3,gaussCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('scatter') + texture_Gauss(4,gaussCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('fraction') + texture_Gauss(5,gaussCount,section)=IO_floatValue(line,positions,i+1) + end select + enddo + case ('(fiber)') + fiberCount=fiberCount+1 + do i=2,12,2 + tag=IO_lc(IO_stringValue(line,positions,i)) + select case (tag) + case('alpha1') + texture_fiber(1,fiberCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('alpha2') + texture_fiber(2,fiberCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('beta1') + texture_fiber(3,fiberCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('beta2') + texture_fiber(4,fiberCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('scatter') + texture_fiber(5,fiberCount,section)=IO_floatValue(line,positions,i+1)*inRad + case('fraction') + texture_fiber(6,fiberCount,section)=IO_floatValue(line,positions,i+1) + end select + enddo + case ('ngrains') + texture_Ngrains(section)=IO_intValue(line,positions,2) + case ('symmetry') + texture_symmetry(section)=IO_stringValue(line,positions,2) + end select + endif + endif +enddo +100 return + +end function + + +subroutine constitutive_Parse_MatTexDat(filename) +!********************************************************************* +!* This function reads the material and texture input file * +!* INPUT: * +!* - filename : name of input file * +!********************************************************************* +use prec, only: pReal,pInt +use IO, only: IO_error, IO_open_file +use math, only: math_Mandel3333to66, math_Voigt66to3333 +use crystal, only: crystal_MaxMaxNslipOfStructure +implicit none + +!* Definition of variables +character(len=*) filename +character(len=80) part,formerPart +integer(pInt) sectionCount,i,j,k, fileunit + +! set fileunit +fileunit=200 +!----------------------------- +!* First reading: number of materials and textures +!----------------------------- +!* determine material_maxN and texture_maxN from last respective parts +if(IO_open_file(fileunit,filename)==.false.) goto 100 +part = '_dummy_' +do while (part/='') + formerPart = part + call constitutive_CountSections(fileunit,sectionCount,part) + select case (formerPart) + case ('materials') + material_maxN = sectionCount + case ('textures') + texture_maxN = sectionCount + end select +enddo +!* Array allocation +allocate(material_CrystalStructure(material_maxN)) ; material_CrystalStructure=0_pInt +allocate(material_Nslip(material_maxN)) ; material_Nslip=0_pInt +allocate(material_C11(material_maxN)) ; material_C11=0.0_pReal +allocate(material_C12(material_maxN)) ; material_C12=0.0_pReal +allocate(material_C13(material_maxN)) ; material_C13=0.0_pReal +allocate(material_C33(material_maxN)) ; material_C33=0.0_pReal +allocate(material_C44(material_maxN)) ; material_C44=0.0_pReal +allocate(material_Gmod(material_maxN)) ; material_Gmod=0.0_pReal +allocate(material_Cslip_66(6,6,material_maxN)) ; material_Cslip_66=0.0_pReal +allocate(material_rho0(material_maxN)) ; material_rho0=0.0_pReal +allocate(material_SlipIntCoeff(crystal_MaxMaxNslipOfStructure,material_maxN)) ; material_SlipIntCoeff=0.0_pReal +allocate(material_bg(material_maxN)) ; material_bg=0.0_pReal +allocate(material_Qedge(material_maxN)) ; material_Qedge=0.0_pReal +allocate(material_tau0(material_maxN)) ; material_tau0=0.0_pReal +allocate(material_c1(material_maxN)) ; material_c1=0.0_pReal +allocate(material_c2(material_maxN)) ; material_c2=0.0_pReal +allocate(material_c3(material_maxN)) ; material_c3=0.0_pReal +allocate(material_c4(material_maxN)) ; material_c4=0.0_pReal +allocate(material_c5(material_maxN)) ; material_c5=0.0_pReal +allocate(texture_ODFfile(texture_maxN)) ; texture_ODFfile='' +allocate(texture_Ngrains(texture_maxN)) ; texture_Ngrains=0_pInt +allocate(texture_symmetry(texture_maxN)) ; texture_symmetry='' +allocate(texture_NGauss(texture_maxN)) ; texture_NGauss=0_pInt +allocate(texture_NFiber(texture_maxN)) ; texture_NFiber=0_pInt +allocate(texture_NRandom(texture_maxN)) ; texture_NRandom=0_pInt + +!----------------------------- +!* Second reading: number of Gauss and Fiber +!----------------------------- +rewind(fileunit) +part = '_dummy_' +do while (part/='') + select case (part) + case ('textures') + part = constitutive_assignNGaussAndFiber(fileunit) + case default + part = constitutive_Parse_UnknownPart(fileunit) + end select +enddo +!* Array allocation +texture_maxNGauss=maxval(texture_NGauss) +texture_maxNFiber=maxval(texture_NFiber) +allocate(texture_Gauss(5,texture_maxNGauss,texture_maxN)) ; texture_Gauss=0.0_pReal +allocate(texture_Fiber(6,texture_maxNFiber,texture_maxN)) ; texture_Fiber=0.0_pReal + +!----------------------------- +!* Third reading: materials and textures are stored +!----------------------------- +rewind(fileunit) +part='_dummy_' +do while (part/='') + select case (part) + case ('materials') + part=constitutive_Parse_MaterialPart(fileunit) + case ('textures') + part=constitutive_Parse_TexturePart(fileunit) + case default + part=constitutive_Parse_UnknownPart(fileunit) + end select +enddo +close(fileunit) + + +!* Construction of the elasticity matrices +do i=1,material_maxN + material_Gmod(i)=material_C44(i) + select case (material_CrystalStructure(i)) + case(1:2) ! cubic(s) + do k=1,3 + do j=1,3 + material_Cslip_66(k,j,i)=material_C12(i) + enddo + material_Cslip_66(k,k,i)=material_C11(i) + material_Cslip_66(k+3,k+3,i)=material_C44(i) + enddo + case(3) ! hcp + material_Cslip_66(1,1,i)=material_C11(i) + material_Cslip_66(2,2,i)=material_C11(i) + material_Cslip_66(3,3,i)=material_C33(i) + material_Cslip_66(1,2,i)=material_C12(i) + material_Cslip_66(2,1,i)=material_C12(i) + material_Cslip_66(1,3,i)=material_C13(i) + material_Cslip_66(3,1,i)=material_C13(i) + material_Cslip_66(2,3,i)=material_C13(i) + material_Cslip_66(3,2,i)=material_C13(i) + material_Cslip_66(4,4,i)=material_C44(i) + material_Cslip_66(5,5,i)=material_C44(i) + material_Cslip_66(6,6,i)=0.5_pReal*(material_C11(i)-material_C12(i)) + end select + material_Cslip_66(:,:,i) = math_Mandel3333to66(math_Voigt66to3333(material_Cslip_66(:,:,i))) +enddo + + +! MISSING some consistency checks may be..? +! if ODFfile present then set NGauss NFiber =0 +return +100 call IO_error(200) ! corrupt materials_textures file +end subroutine + + +subroutine constitutive_Assignment() +!********************************************************************* +!* This subroutine assign material parameters according to ipc,ip,el * +!********************************************************************* +use prec, only: pReal,pInt +use math, only: math_sampleGaussOri,math_sampleFiberOri,math_sampleRandomOri,math_symmetricEulers,math_EulerToR +use mesh, only: mesh_NcpElems,FE_Nips,FE_mapElemtype,mesh_maxNips,mesh_element +use IO, only: IO_hybridIA +use crystal, only: crystal_MaxNslipOfStructure,crystal_SlipIntType,crystal_sn,crystal_st +implicit none + +!* Definition of variables +integer(pInt) e,i,j,k,l,m,o,g,s +integer(pInt) matID,texID +real(pReal) K_inter,x,y +integer(pInt), dimension(:,:,:), allocatable :: hybridIA_population +integer(pInt), dimension(texture_maxN) :: Ncomponents,Nsym,multiplicity,sumVolfrac,ODFmap,sampleCount +real(pReal), dimension(3,4*(1+texture_maxNGauss+texture_maxNfiber)) :: Euler +real(pReal), dimension(4*(1+texture_maxNGauss+texture_maxNfiber)) :: texVolfrac + +! process textures +o = 0_pInt ! ODF counter +ODFmap = 0_pInt ! blank mapping +sampleCount = 0_pInt ! count orientations assigned per texture + +do texID=1,texture_maxN + if (texture_ODFfile(texID)=='') then + sumVolfrac(texID) = sum(texture_gauss(5,:,texID))+sum(texture_fiber(6,:,texID)) + if (sumVolfrac(texID)<1.0_pReal) texture_NRandom(texID) = 1_pInt ! check whether random component missing + select case (texture_symmetry(texID)) ! set symmetry factor + case ('orthotropic') + Nsym(texID) = 4_pInt + case ('monoclinic') + Nsym(texID) = 2_pInt + case default + Nsym(texID) = 1_pInt + end select + Ncomponents(texID) = texture_NGauss(texID)+texture_NFiber(texID)+texture_NRandom(texID) + else ! hybrid IA + o = o+1 + ODFmap(texID) = o ! remember mapping + Ncomponents(texID) = 1_pInt ! single "component" + Nsym(texID) = 1_pInt ! no symmetry (use full ODF instead) + endif +! adjust multiplicity and number of grains per IP of components + multiplicity(texID) = max(1_pInt,texture_Ngrains(texID)/Ncomponents(texID)/Nsym(texID)) + if (mod(texture_Ngrains(texID),Ncomponents(texID)*Nsym(texID)) /= 0_pInt) then + texture_Ngrains(texID) = multiplicity(texID)*Ncomponents(texID)*Nsym(texID) + write (6,*) 'changed Ngrains to',texture_Ngrains(texID),' for texture',texID + endif +enddo + +!* publish globals +constitutive_maxNgrains = maxval(texture_Ngrains) +constitutive_maxNstatevars = maxval(material_Nslip) + 0_pInt +constitutive_maxNresults = 1_pInt + +!* calc texture_totalNgrains +allocate(texture_totalNgrains(texture_maxN)) ; texture_totalNgrains=0_pInt +do i=1,mesh_NcpElems + texID = mesh_element(4,i) + texture_totalNgrains(texID) = texture_totalNgrains(texID) + FE_Nips(FE_mapElemtype(mesh_element(2,i)))*texture_Ngrains(texID) +enddo + +! generate hybridIA samplings for ODFfile textures to later draw from these populations +allocate(hybridIA_population(3,maxval(texture_totalNgrains,ODFmap /= 0),o)) +do texID = 1,texture_maxN + if (ODFmap(texID) > 0) & + hybridIA_population(:,:,ODFmap(texID)) = IO_hybridIA(texture_totalNgrains(texID),texture_ODFfile(texID)) +enddo + +!* Array allocation +allocate(constitutive_Ngrains(mesh_maxNips,mesh_NcpElems)) ; constitutive_Ngrains=0_pInt +allocate(constitutive_matID(constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_matID=0_pInt +allocate(constitutive_texID(constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_texID=0_pInt +allocate(constitutive_MatVolFrac(constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_MatVolFrac=0.0_pReal +allocate(constitutive_TexVolFrac(constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_TexVolFrac=0.0_pReal +allocate(constitutive_EulerAngles(3,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_EulerAngles=0.0_pReal +allocate(constitutive_Nresults(constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_Nresults=0_pInt +allocate(constitutive_results(constitutive_maxNresults,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) +constitutive_results=0.0_pReal +allocate(constitutive_Nstatevars(constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; constitutive_Nstatevars=0_pInt +allocate(constitutive_state_old(constitutive_maxNstatevars,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) +constitutive_state_old=0.0_pReal +allocate(constitutive_state_new(constitutive_maxNstatevars,constitutive_maxNgrains,mesh_maxNips,mesh_NcpElems)) +constitutive_state_new=0.0_pReal +allocate(constitutive_Pforest(constitutive_maxNstatevars,constitutive_maxNstatevars,material_maxN)) +constitutive_Pforest=0.0_pReal +allocate(constitutive_Pparallel(constitutive_maxNstatevars,constitutive_maxNstatevars,material_maxN)) +constitutive_Pparallel=0.0_pReal +allocate(constitutive_rho_p(constitutive_maxNstatevars)) ; constitutive_rho_p=0.0_pReal +allocate(constitutive_rho_f(constitutive_maxNstatevars)) ; constitutive_rho_f=0.0_pReal +allocate(constitutive_rho_m(constitutive_maxNstatevars)) ; constitutive_rho_m=0.0_pReal +allocate(constitutive_passing_stress(constitutive_maxNstatevars)) ; constitutive_passing_stress=0.0_pReal +allocate(constitutive_jump_width(constitutive_maxNstatevars)) ; constitutive_jump_width=0.0_pReal +allocate(constitutive_activation_volume(constitutive_maxNstatevars)) ; constitutive_activation_volume=0.0_pReal +allocate(constitutive_g0_slip(constitutive_maxNstatevars)) ; constitutive_g0_slip=0.0_pReal + +!* Assignment of all grains in all IPs of all cp-elements +do e=1,mesh_NcpElems + matID=mesh_element(3,e) + texID=mesh_element(4,e) + do i=1,FE_Nips(FE_mapElemtype(mesh_element(2,e))) + g = 0_pInt ! grain counter + do m = 1,multiplicity(texID) + o = 0_pInt ! component counter + if (texture_ODFfile(texID)=='') then + do k = 1,texture_nGauss(texID) ! *** gauss *** + o = o+1 + Euler(:,o) = math_sampleGaussOri(texture_Gauss(1:3,k,texID),texture_Gauss(4,k,texID)) + texVolFrac(o) = texture_Gauss(5,k,texID) + enddo + do k = 1,texture_nFiber(texID) ! *** fiber *** + o = o+1 + Euler(:,o) = math_sampleFiberOri(texture_Fiber(1:2,k,texID),texture_Fiber(3:4,k,texID),texture_Fiber(5,k,texID)) + texVolFrac(o) = texture_Fiber(6,k,texID) + enddo + do k = 1,texture_nRandom(texID) ! *** random *** + o = o+1 + Euler(:,o) = math_sampleRandomOri() + texVolfrac(o) = 1.0_pReal-sumVolfrac(texID) + enddo + else ! *** hybrid IA *** + o = 1 ! only singular orientation, i.e. single "component" + Euler(:,o) = hybridIA_population(:,1+sampleCount(texID),ODFmap(texID)) + texVolfrac(o) = 1.0_pReal + endif + if (Nsym(texID) > 1) then ! symmetry generates additional orientations + forall (k=1:o) + Euler(:,1+o+(Nsym(texID)-1)*(k-1):3+o+(Nsym(texID)-1)*(k-1)) = & + math_symmetricEulers(texture_symmetry(texID),Euler(:,k)) + texVolfrac(1+o+(Nsym(texID)-1)*(k-1):3+o+(Nsym(texID)-1)*(k-1)) = texVolfrac(k) + end forall + endif + do s = 1,Nsym(texID)*o ! loop over orientations to be assigned to ip (ex multiplicity) + g = g+1 ! next "grain" + sampleCount(texID) = sampleCount(texID)+1 ! next member of population + constitutive_matID(g,i,e) = matID ! copy matID of element + constitutive_texID(g,i,e) = texID ! copy texID of element + constitutive_MatVolFrac(g,i,e) = 1.0_pReal ! singular material (so far) + constitutive_TexVolFrac(g,i,e) = texVolfrac(s)/multiplicity(texID)/Nsym(texID) + constitutive_Nstatevars(g,i,e) = material_Nslip(matID) ! number of state variables (i.e. tau_c of each slip system) + constitutive_Nresults(g,i,e) = 0 ! number of constitutive results + constitutive_EulerAngles(:,g,i,e) = Euler(:,s) ! store initial orientation + forall (l=1:constitutive_Nstatevars(g,i,e)) ! initialize state variables + constitutive_state_old(l,g,i,e) = material_rho0(matID) + constitutive_state_new(l,g,i,e) = material_rho0(matID) + end forall + enddo ! components + enddo ! multiplicity + enddo ! ip +enddo ! cp_element + + +!* Construction of the hardening matrices +do i=1,material_maxN +!* Iteration over the systems + do j=1,constitutive_maxNstatevars + do k=1,constitutive_maxNstatevars +!* Hardening type * + do l=1,constitutive_maxNstatevars + if (crystal_SlipIntType(j,k,l)==l) then + K_inter=material_SlipIntCoeff(l,i) + else + K_inter=0.0_pReal + endif + enddo +!* Projection of the dislocation * + x=dot_product(crystal_sn(:,j,i),crystal_st(:,k,i)) + y=1.0_pReal-x**(2.0_pReal) +!* Interaction matrix * + constitutive_Pforest(j,k,i)=abs(x)*K_inter + if (y>0.0_pReal) then + constitutive_Pparallel(j,k,i)=sqrt(y)*K_inter + else + constitutive_Pparallel(j,k,i)=0.0_pReal + endif + enddo + enddo +enddo + +end subroutine + + +function constitutive_HomogenizedC(ipc,ip,el) +!********************************************************************* +!* This function returns the homogenized elacticity matrix * +!* INPUT: * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!********************************************************************* +use prec, only: pReal,pInt +implicit none + +!* Definition of variables +integer(pInt) ipc,ip,el +real(pReal), dimension(6,6) :: constitutive_homogenizedC + +!* Homogenization scheme +constitutive_homogenizedC=constitutive_MatVolFrac(ipc,ip,el)*material_Cslip_66(:,:,constitutive_matID(ipc,ip,el)) + +return +end function + + +subroutine constitutive_Microstructure(state,Tp,ipc,ip,el) +!********************************************************************* +!* This function calculates from state needed variables * +!* INPUT: * +!* - state : state variables * +!* - Tp : temperature * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!********************************************************************* +use prec, only: pReal,pInt +implicit none + +!* Definition of variables +integer(pInt) ipc,ip,el +integer(pInt) matID,i +real(pReal) Tp +real(pReal), dimension(constitutive_Nstatevars(ipc,ip,el)) :: state + +!* Get the material-ID from the triplet(ipc,ip,el) +matID = constitutive_matID(ipc,ip,el) + +!* Quantities derivated from state +constitutive_rho_f=matmul(constitutive_Pforest(1:constitutive_Nstatevars(ipc,ip,el),& + 1:constitutive_Nstatevars(ipc,ip,el),matID),state) +constitutive_rho_p=matmul(constitutive_Pparallel(1:constitutive_Nstatevars(ipc,ip,el),& + 1:constitutive_Nstatevars(ipc,ip,el),matID),state) +do i=1,material_Nslip(matID) + constitutive_passing_stress(i)=material_tau0(matID)+material_c1(matID)*material_Gmod(matID)*material_bg(matID)*& + sqrt(constitutive_rho_p(i)) + constitutive_jump_width(i)=material_c2(matID)/sqrt(constitutive_rho_f(i)) + constitutive_activation_volume(i)=material_c3(matID)*constitutive_jump_width(i)*material_bg(matID)**2.0_pReal + constitutive_rho_m(i)=(2.0_pReal*Kb*Tp*sqrt(constitutive_rho_p(i)))/& + (material_c1(matID)*material_c3(matID)*material_Gmod(matID)*constitutive_jump_width(i)*material_bg(matID)**3.0_pReal) + constitutive_g0_slip(i)=constitutive_rho_m(i)*material_bg(matID)*attack_frequency*constitutive_jump_width(i)*& + exp(-(material_Qedge(matID)+constitutive_passing_stress(i)*constitutive_activation_volume(i))/& + (Kb*Tp)) +enddo + +end subroutine + + +subroutine constitutive_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,state,Tp,ipc,ip,el) +!********************************************************************* +!* This subroutine contains the constitutive equation for * +!* calculating the velocity gradient * +!* INPUT: * +!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * +!* - state : current microstructure * +!* - Tp : temperature * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!* OUTPUT: * +!* - Lp : plastic velocity gradient * +!* - dLp_dTstar : derivative of Lp (4th-order tensor) * +!********************************************************************* +use prec, only: pReal,pInt +use crystal, only: crystal_Sslip,crystal_Sslip_v +implicit none + +!* Definition of variables +integer(pInt) ipc,ip,el +integer(pInt) matID,i,k,l,m,n +real(pReal) Tp +real(pReal), dimension(6) :: Tstar_v +real(pReal), dimension(3,3) :: Lp +real(pReal), dimension(3,3,3,3) :: dLp_dTstar +real(pReal), dimension(constitutive_Nstatevars(ipc,ip,el)) :: state,gdot_slip,dgdot_dtauslip,tau_slip + +!* Get the material-ID from the triplet(ipc,ip,el) +matID = constitutive_matID(ipc,ip,el) + +!* Calculation of Lp +Lp = 0.0_pReal +do i=1,material_Nslip(matID) + tau_slip(i)=dot_product(Tstar_v,crystal_Sslip_v(:,i,material_CrystalStructure(matID))) + gdot_slip(i)=constitutive_g0_slip(i)*sinh((abs(tau_slip(i))*constitutive_activation_volume(i))/(Kb*Tp))*& + sign(1.0_pReal,tau_slip(i)) + Lp=Lp+gdot_slip(i)*crystal_Sslip(:,:,i,material_CrystalStructure(matID)) +enddo + +!* Calculation of the tangent of Lp +dLp_dTstar=0.0_pReal +do i=1,material_Nslip(matID) + dgdot_dtauslip(i)=((constitutive_g0_slip(i)*constitutive_activation_volume(i))/(Kb*Tp))*& + cosh((abs(tau_slip(i))*constitutive_activation_volume(i))/(Kb*Tp)) + forall (k=1:3,l=1:3,m=1:3,n=1:3) + dLp_dTstar(k,l,m,n) = dLp_dTstar(k,l,m,n)+ & + dgdot_dtauslip(i)*crystal_Sslip(k,l,i,material_CrystalStructure(matID))* & + (crystal_Sslip(m,n,i,material_CrystalStructure(matID))+ & + crystal_Sslip(n,m,i,material_CrystalStructure(matID)))/2.0_pReal ! force m,n symmetry + endforall +enddo + +return +end subroutine + + +function constitutive_dotState(Tstar_v,state,Tp,ipc,ip,el) +!********************************************************************* +!* This subroutine contains the constitutive equation for * +!* calculating the velocity gradient * +!* INPUT: * +!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * +!* - state : current microstructure * +!* - Tp : temperature * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!* OUTPUT: * +!* - constitutive_DotState : evolution of state variable * +!********************************************************************* +use prec, only: pReal,pInt +use crystal, only: crystal_Sslip_v +implicit none + +!* Definition of variables +integer(pInt) ipc,ip,el +integer(pInt) matID,i +real(pReal) Tp,tau_slip,gdot_slip +real(pReal), dimension(6) :: Tstar_v +real(pReal), dimension(constitutive_Nstatevars(ipc,ip,el)) :: constitutive_dotState,state,lock,recovery + +!* Get the material-ID from the triplet(ipc,ip,el) +matID = constitutive_matID(ipc,ip,el) + +!* Hardening of each system +do i=1,constitutive_Nstatevars(ipc,ip,el) + tau_slip = dot_product(Tstar_v,crystal_Sslip_v(:,i,material_CrystalStructure(matID))) + gdot_slip = constitutive_g0_slip(i)*sinh((abs(tau_slip)*constitutive_activation_volume(i))/(Kb*Tp))*& + sign(1.0_pReal,tau_slip) + if (abs(tau_slip)>1.0e-20_pReal) then + lock(i)=(material_c4(matID)*sqrt(constitutive_rho_f(i))*abs(gdot_slip))/material_bg(matID) + recovery(i)=material_c5(matID)*state(i)*abs(gdot_slip) + constitutive_dotState(i)=lock(i)-recovery(i) + else + constitutive_dotState(i)=0.0_pReal + endif +enddo + +return +end function + + +function constitutive_post_results(Tstar_v,state,dt,Tp,ipc,ip,el) +!********************************************************************* +!* return array of constitutive results * +!* INPUT: * +!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * +!* - state : current microstructure * +!* - dt : current time increment * +!* - Tp : temperature * +!* - ipc : component-ID of current integration point * +!* - ip : current integration point * +!* - el : current element * +!********************************************************************* +use prec, only: pReal,pInt +use crystal, only: crystal_Sslip_v +implicit none + +!* Definition of variables +integer(pInt) ipc,ip,el +integer(pInt) matID,i +real(pReal) dt,Tp,tau_slip +real(pReal), dimension(6) :: Tstar_v +real(pReal), dimension(constitutive_Nstatevars(ipc,ip,el)) :: state +real(pReal), dimension(constitutive_Nresults(ipc,ip,el)) :: constitutive_post_results + +!* Get the material-ID from the triplet(ipc,ip,el) +matID = constitutive_matID(ipc,ip,el) + +if(constitutive_Nresults(ipc,ip,el)==0) return + +do i=1,material_Nslip(matID) + constitutive_post_results(i) = state(i) + tau_slip=dot_product(Tstar_v,crystal_Sslip_v(:,i,material_CrystalStructure(matID))) + constitutive_post_results(i+material_Nslip(matID)) = & + dt*constitutive_g0_slip(i)*sinh((abs(tau_slip)*constitutive_activation_volume(i))/(Kb*Tp))*& + sign(1.0_pReal,tau_slip) +enddo +return + +end function + +END MODULE \ No newline at end of file