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require all hardening coefficients/ non schmid coefficients to be specified in material.config, do not silently ignore any 

warning message now more meaningful (?) when using less than maximum number of slip families
This commit is contained in:
Christoph Kords 2013-09-12 14:47:09 +00:00
parent a17b85cba8
commit 5f973a21c0
6 changed files with 145 additions and 72 deletions
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10
code/IO.f90
View File

@ -1528,6 +1528,8 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
msg = 'unknown plasticity specified:' msg = 'unknown plasticity specified:'
case (205_pInt) case (205_pInt)
msg = 'unknown lattice structure encountered' msg = 'unknown lattice structure encountered'
case (206_pInt)
msg = 'hex lattice structure with invalid c/a ratio'
case (210_pInt) case (210_pInt)
msg = 'unknown material parameter:' msg = 'unknown material parameter:'
@ -1535,6 +1537,8 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
msg = 'material parameter out of bounds:' msg = 'material parameter out of bounds:'
case (212_pInt) case (212_pInt)
msg = 'unknown plasticity output:' msg = 'unknown plasticity output:'
case (213_pInt)
msg = 'not enough values for material parameter:'
case (252_pInt) case (252_pInt)
msg = 'nonlocal plasticity works only for direct CPFEM, i.e. one grain per integration point' msg = 'nonlocal plasticity works only for direct CPFEM, i.e. one grain per integration point'
@ -1689,6 +1693,8 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
else else
write(6,'(a13,1x,i9,35x,a1)') ' + at element',e,'+' write(6,'(a13,1x,i9,35x,a1)') ' + at element',e,'+'
endif endif
elseif (present(i)) then ! now having the meaning of "instance"
write(6,'(a15,1x,i9,33x,a1)') ' + for instance',i,'+'
endif endif
write(6,'(a)') ' +--------------------------------------------------------+' write(6,'(a)') ' +--------------------------------------------------------+'
flush(6) flush(6)
@ -1726,6 +1732,10 @@ subroutine IO_warning(warning_ID,e,i,g,ext_msg)
msg = 'parameter has no effect' msg = 'parameter has no effect'
case (47_pInt) case (47_pInt)
msg = 'no valid parameter for FFTW, using FFTW_PATIENT' msg = 'no valid parameter for FFTW, using FFTW_PATIENT'
case (50_pInt)
msg = 'not using all available slip system families'
case (51_pInt)
msg = 'not using all available twin system families'
case (101_pInt) case (101_pInt)
msg = 'crystallite debugging off' msg = 'crystallite debugging off'
case (201_pInt) case (201_pInt)

28
code/constitutive_dislotwin.f90
View File

@ -157,9 +157,9 @@ use lattice
!* Input variables !* Input variables
integer(pInt), intent(in) :: file integer(pInt), intent(in) :: file
!* Local variables !* Local variables
integer(pInt), parameter :: maxNchunks = 21_pInt integer(pInt), parameter :: MAXNCHUNKS = lattice_maxNinteraction + 1_pInt
integer(pInt), dimension(1+2*maxNchunks) :: positions integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt), dimension(6) :: configNchunks integer(pInt), dimension(7) :: configNchunks
integer(pInt) :: section = 0_pInt, maxNinstance,mySize=0_pInt,myStructure,maxTotalNslip,maxTotalNtwin,& integer(pInt) :: section = 0_pInt, maxNinstance,mySize=0_pInt,myStructure,maxTotalNslip,maxTotalNtwin,&
f,i,j,k,l,m,n,o,p,q,r,s,ns,nt, & f,i,j,k,l,m,n,o,p,q,r,s,ns,nt, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
@ -315,7 +315,7 @@ enddo
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
if (phase_plasticity(section) == constitutive_dislotwin_LABEL) then ! one of my sections if (phase_plasticity(section) == constitutive_dislotwin_LABEL) then ! one of my sections
i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,maxNchunks) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity', 'elasticity') case ('plasticity', 'elasticity')
@ -353,10 +353,18 @@ enddo
case ('c66') case ('c66')
constitutive_dislotwin_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt) constitutive_dislotwin_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt)
case ('nslip') case ('nslip')
if (positions(1) < 1_pInt + Nchunks_SlipFamilies) then
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_LABEL//')')
endif
Nchunks_SlipFamilies = positions(1) - 1_pInt
do j = 1_pInt, Nchunks_SlipFamilies do j = 1_pInt, Nchunks_SlipFamilies
constitutive_dislotwin_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j) constitutive_dislotwin_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j)
enddo enddo
case ('ntwin') case ('ntwin')
if (positions(1) < 1_pInt + Nchunks_TwinFamilies) then
call IO_warning(51_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_LABEL//')')
endif
Nchunks_TwinFamilies = positions(1) - 1_pInt
do j = 1_pInt, Nchunks_TwinFamilies do j = 1_pInt, Nchunks_TwinFamilies
constitutive_dislotwin_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j) constitutive_dislotwin_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j)
enddo enddo
@ -431,18 +439,30 @@ enddo
case ('catomicvolume') case ('catomicvolume')
constitutive_dislotwin_CAtomicVolume(i) = IO_floatValue(line,positions,2_pInt) constitutive_dislotwin_CAtomicVolume(i) = IO_floatValue(line,positions,2_pInt)
case ('interaction_slipslip','interactionslipslip') case ('interaction_slipslip','interactionslipslip')
if (positions(1) < 1_pInt + Nchunks_SlipSlip) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_LABEL//')')
endif
do j = 1_pInt, Nchunks_SlipSlip do j = 1_pInt, Nchunks_SlipSlip
constitutive_dislotwin_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_dislotwin_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('interaction_sliptwin','interactionsliptwin') case ('interaction_sliptwin','interactionsliptwin')
if (positions(1) < 1_pInt + Nchunks_SlipTwin) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_LABEL//')')
endif
do j = 1_pInt, Nchunks_SlipTwin do j = 1_pInt, Nchunks_SlipTwin
constitutive_dislotwin_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_dislotwin_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('interaction_twinslip','interactiontwinslip') case ('interaction_twinslip','interactiontwinslip')
if (positions(1) < 1_pInt + Nchunks_TwinSlip) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_LABEL//')')
endif
do j = 1_pInt, Nchunks_TwinSlip do j = 1_pInt, Nchunks_TwinSlip
constitutive_dislotwin_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_dislotwin_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('interaction_twintwin','interactiontwintwin') case ('interaction_twintwin','interactiontwintwin')
if (positions(1) < 1_pInt + Nchunks_TwinTwin) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_DISLOTWIN_LABEL//')')
endif
do j = 1_pInt, Nchunks_TwinTwin do j = 1_pInt, Nchunks_TwinTwin
constitutive_dislotwin_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_dislotwin_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo

25
code/constitutive_nonlocal.f90
View File

@ -235,6 +235,7 @@ use IO, only: IO_read, &
IO_floatValue, & IO_floatValue, &
IO_intValue, & IO_intValue, &
IO_error, & IO_error, &
IO_warning, &
IO_timeStamp IO_timeStamp
use debug, only: debug_level, & use debug, only: debug_level, &
debug_constitutive, & debug_constitutive, &
@ -254,10 +255,10 @@ use lattice
integer(pInt), intent(in) :: myFile integer(pInt), intent(in) :: myFile
!*** local variables !*** local variables
integer(pInt), parameter :: maxNchunks = 21_pInt integer(pInt), parameter :: MAXNCHUNKS = lattice_maxNinteraction + 1_pInt
integer(pInt), & integer(pInt), &
dimension(1_pInt+2_pInt*maxNchunks) :: positions dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt), dimension(6) :: configNchunks integer(pInt), dimension(7) :: configNchunks
integer(pInt) :: section = 0_pInt, & integer(pInt) :: section = 0_pInt, &
maxNinstance, & maxNinstance, &
maxTotalNslip, & maxTotalNslip, &
@ -275,6 +276,7 @@ integer(pInt) :: section = 0_pInt, &
c, & ! index of dislocation character c, & ! index of dislocation character
Nchunks_SlipSlip = 0_pInt, & Nchunks_SlipSlip = 0_pInt, &
Nchunks_SlipFamilies = 0_pInt, & Nchunks_SlipFamilies = 0_pInt, &
Nchunks_nonSchmid = 0_pInt, &
mySize = 0_pInt ! to suppress warnings, safe as init is called only once mySize = 0_pInt ! to suppress warnings, safe as init is called only once
character(len=65536) tag character(len=65536) tag
character(len=65536) :: line = '' ! to start initialized character(len=65536) :: line = '' ! to start initialized
@ -433,7 +435,7 @@ do while (trim(line) /= '#EOF#')
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
if (phase_plasticity(section) == CONSTITUTIVE_NONLOCAL_LABEL) then ! one of my sections if (phase_plasticity(section) == CONSTITUTIVE_NONLOCAL_LABEL) then ! one of my sections
i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,maxNchunks) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case('plasticity','elasticity','/nonlocal/') case('plasticity','elasticity','/nonlocal/')
@ -446,6 +448,7 @@ do while (trim(line) /= '#EOF#')
configNchunks = lattice_configNchunks(constitutive_nonlocal_structureName(i)) configNchunks = lattice_configNchunks(constitutive_nonlocal_structureName(i))
Nchunks_SlipFamilies = configNchunks(1) Nchunks_SlipFamilies = configNchunks(1)
Nchunks_SlipSlip = configNchunks(3) Nchunks_SlipSlip = configNchunks(3)
Nchunks_nonSchmid = configNchunks(7)
case ('c/a_ratio','covera_ratio') case ('c/a_ratio','covera_ratio')
CoverA(i) = IO_floatValue(line,positions,2_pInt) CoverA(i) = IO_floatValue(line,positions,2_pInt)
case ('c11') case ('c11')
@ -467,6 +470,10 @@ do while (trim(line) /= '#EOF#')
case ('c66') case ('c66')
Cslip66(6,6,i) = IO_floatValue(line,positions,2_pInt) Cslip66(6,6,i) = IO_floatValue(line,positions,2_pInt)
case ('nslip') case ('nslip')
if (positions(1) < 1_pInt + Nchunks_SlipFamilies) then
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_NONLOCAL_LABEL//')')
endif
Nchunks_SlipFamilies = positions(1) - 1_pInt
do f = 1_pInt, Nchunks_SlipFamilies do f = 1_pInt, Nchunks_SlipFamilies
Nslip(f,i) = IO_intValue(line,positions,1_pInt+f) Nslip(f,i) = IO_intValue(line,positions,1_pInt+f)
enddo enddo
@ -527,7 +534,10 @@ do while (trim(line) /= '#EOF#')
case('significantn','significant_n','significantdislocations','significant_dislcations') case('significantn','significant_n','significantdislocations','significant_dislcations')
significantN(i) = IO_floatValue(line,positions,2_pInt) significantN(i) = IO_floatValue(line,positions,2_pInt)
case ('interaction_slipslip') case ('interaction_slipslip')
do it = 1_pInt, Nchunks_SlipSlip if (positions(1) < 1_pInt + Nchunks_SlipSlip) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_NONLOCAL_LABEL//')')
endif
do it = 1_pInt,Nchunks_SlipSlip
interactionSlipSlip(it,i) = IO_floatValue(line,positions,1_pInt+it) interactionSlipSlip(it,i) = IO_floatValue(line,positions,1_pInt+it)
enddo enddo
case('linetension','linetensioneffect','linetension_effect') case('linetension','linetensioneffect','linetension_effect')
@ -575,7 +585,10 @@ do while (trim(line) /= '#EOF#')
case('shortrangestresscorrection') case('shortrangestresscorrection')
shortRangeStressCorrection(i) = IO_floatValue(line,positions,2_pInt) > 0.0_pReal shortRangeStressCorrection(i) = IO_floatValue(line,positions,2_pInt) > 0.0_pReal
case ('nonschmid_coefficients') case ('nonschmid_coefficients')
do f = 1_pInt, lattice_maxNnonSchmid if (positions(1) < 1_pInt + Nchunks_nonSchmid) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_NONLOCAL_LABEL//')')
endif
do f = 1_pInt,Nchunks_nonSchmid
nonSchmidCoeff(f,i) = IO_floatValue(line,positions,1_pInt+f) nonSchmidCoeff(f,i) = IO_floatValue(line,positions,1_pInt+f)
enddo enddo
case('probabilisticmultiplication','randomsources','randommultiplication','discretesources') case('probabilisticmultiplication','randomsources','randommultiplication','discretesources')

53
code/constitutive_phenopowerlaw.f90
View File

@ -134,12 +134,12 @@ subroutine constitutive_phenopowerlaw_init(myFile)
integer(pInt), parameter :: MAXNCHUNKS = lattice_maxNinteraction + 1_pInt integer(pInt), parameter :: MAXNCHUNKS = lattice_maxNinteraction + 1_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt), dimension(6) :: configNchunks integer(pInt), dimension(7) :: configNchunks
integer(pInt) :: & integer(pInt) :: &
maxNinstance, & maxNinstance, &
i,j,k, f,o, & i,j,k, f,o, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_nonSchmid, &
myStructure, index_myFamily, index_otherFamily, & myStructure, index_myFamily, index_otherFamily, &
mySize=0_pInt, section = 0_pInt mySize=0_pInt, section = 0_pInt
character(len=65536) :: & character(len=65536) :: &
@ -163,6 +163,7 @@ subroutine constitutive_phenopowerlaw_init(myFile)
Nchunks_SlipTwin = lattice_maxNinteraction Nchunks_SlipTwin = lattice_maxNinteraction
Nchunks_TwinSlip = lattice_maxNinteraction Nchunks_TwinSlip = lattice_maxNinteraction
Nchunks_TwinTwin = lattice_maxNinteraction Nchunks_TwinTwin = lattice_maxNinteraction
Nchunks_nonSchmid = lattice_maxNnonSchmid
allocate(constitutive_phenopowerlaw_sizeDotState(maxNinstance)) allocate(constitutive_phenopowerlaw_sizeDotState(maxNinstance))
constitutive_phenopowerlaw_sizeDotState = 0_pInt constitutive_phenopowerlaw_sizeDotState = 0_pInt
@ -276,6 +277,7 @@ subroutine constitutive_phenopowerlaw_init(myFile)
Nchunks_SlipTwin = configNchunks(4) Nchunks_SlipTwin = configNchunks(4)
Nchunks_TwinSlip = configNchunks(5) Nchunks_TwinSlip = configNchunks(5)
Nchunks_TwinTwin = configNchunks(6) Nchunks_TwinTwin = configNchunks(6)
Nchunks_nonSchmid = configNchunks(7)
case ('covera_ratio') case ('covera_ratio')
constitutive_phenopowerlaw_CoverA(i) = IO_floatValue(line,positions,2_pInt) constitutive_phenopowerlaw_CoverA(i) = IO_floatValue(line,positions,2_pInt)
case ('c11') case ('c11')
@ -297,15 +299,19 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('c66') case ('c66')
constitutive_phenopowerlaw_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt) constitutive_phenopowerlaw_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt)
case ('nslip') case ('nslip')
if (positions(1) < 1_pInt + Nchunks_SlipFamilies) then
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
Nchunks_SlipFamilies = positions(1) - 1_pInt
do j = 1_pInt, Nchunks_SlipFamilies do j = 1_pInt, Nchunks_SlipFamilies
constitutive_phenopowerlaw_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j)
enddo enddo
case ('gdot0_slip') case ('gdot0_slip')
constitutive_phenopowerlaw_gdot0_slip(i) = IO_floatValue(line,positions,2_pInt) constitutive_phenopowerlaw_gdot0_slip(i) = IO_floatValue(line,positions,2_pInt)
case ('n_slip') case ('n_slip')
constitutive_phenopowerlaw_n_slip(i) = IO_floatValue(line,positions,2_pInt) constitutive_phenopowerlaw_n_slip(i) = IO_floatValue(line,positions,2_pInt)
case ('tau0_slip') case ('tau0_slip')
do j = 1_pInt, Nchunks_SlipFamilies do j = 1_pInt,Nchunks_SlipFamilies
constitutive_phenopowerlaw_tau0_slip(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_tau0_slip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('tausat_slip') case ('tausat_slip')
@ -315,6 +321,10 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('a_slip', 'w0_slip') case ('a_slip', 'w0_slip')
constitutive_phenopowerlaw_a_slip(i) = IO_floatValue(line,positions,2_pInt) constitutive_phenopowerlaw_a_slip(i) = IO_floatValue(line,positions,2_pInt)
case ('ntwin') case ('ntwin')
if (positions(1) < 1_pInt + Nchunks_TwinFamilies) then
call IO_warning(51_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
Nchunks_TwinFamilies = positions(1) - 1_pInt
do j = 1_pInt, Nchunks_TwinFamilies do j = 1_pInt, Nchunks_TwinFamilies
constitutive_phenopowerlaw_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j)
enddo enddo
@ -352,23 +362,38 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('atol_twinfrac') case ('atol_twinfrac')
constitutive_phenopowerlaw_aTolTwinfrac(i) = IO_floatValue(line,positions,2_pInt) constitutive_phenopowerlaw_aTolTwinfrac(i) = IO_floatValue(line,positions,2_pInt)
case ('interaction_slipslip') case ('interaction_slipslip')
if (positions(1) < 1_pInt + Nchunks_SlipSlip) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
do j = 1_pInt, Nchunks_SlipSlip do j = 1_pInt, Nchunks_SlipSlip
constitutive_phenopowerlaw_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('interaction_sliptwin') case ('interaction_sliptwin')
if (positions(1) < 1_pInt + Nchunks_SlipTwin) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
do j = 1_pInt, Nchunks_SlipTwin do j = 1_pInt, Nchunks_SlipTwin
constitutive_phenopowerlaw_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('interaction_twinslip') case ('interaction_twinslip')
if (positions(1) < 1_pInt + Nchunks_TwinSlip) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
do j = 1_pInt, Nchunks_TwinSlip do j = 1_pInt, Nchunks_TwinSlip
constitutive_phenopowerlaw_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('interaction_twintwin') case ('interaction_twintwin')
if (positions(1) < 1_pInt + Nchunks_TwinTwin) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
do j = 1_pInt, Nchunks_TwinTwin do j = 1_pInt, Nchunks_TwinTwin
constitutive_phenopowerlaw_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case ('nonschmid_coefficients') case ('nonschmid_coefficients')
do j = 1_pInt, lattice_maxNnonSchmid if (positions(1) < 1_pInt + Nchunks_nonSchmid) then
call IO_error(213_pInt,ext_msg=trim(tag)//' ('//CONSTITUTIVE_PHENOPOWERLAW_label//')')
endif
do j = 1_pInt,Nchunks_nonSchmid
constitutive_phenopowerlaw_nonSchmidCoeff(j,i) = IO_floatValue(line,positions,1_pInt+j) constitutive_phenopowerlaw_nonSchmidCoeff(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo enddo
case default case default
@ -390,28 +415,28 @@ subroutine constitutive_phenopowerlaw_init(myFile)
constitutive_phenopowerlaw_totalNslip(i) = sum(constitutive_phenopowerlaw_Nslip(:,i)) ! how many slip systems altogether constitutive_phenopowerlaw_totalNslip(i) = sum(constitutive_phenopowerlaw_Nslip(:,i)) ! how many slip systems altogether
constitutive_phenopowerlaw_totalNtwin(i) = sum(constitutive_phenopowerlaw_Ntwin(:,i)) ! how many twin systems altogether constitutive_phenopowerlaw_totalNtwin(i) = sum(constitutive_phenopowerlaw_Ntwin(:,i)) ! how many twin systems altogether
if (constitutive_phenopowerlaw_structure(i) < 1 ) call IO_error(205_pInt,e=i) if (constitutive_phenopowerlaw_structure(i) < 1 ) call IO_error(205_pInt,i=i)
if (any(constitutive_phenopowerlaw_tau0_slip(:,i) < 0.0_pReal .and. & if (any(constitutive_phenopowerlaw_tau0_slip(:,i) < 0.0_pReal .and. &
constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,e=i,ext_msg='tau0_slip (' & constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,i=i,ext_msg='tau0_slip (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if (constitutive_phenopowerlaw_gdot0_slip(i) <= 0.0_pReal) call IO_error(211_pInt,e=i,ext_msg='gdot0_slip (' & if (constitutive_phenopowerlaw_gdot0_slip(i) <= 0.0_pReal) call IO_error(211_pInt,i=i,ext_msg='gdot0_slip (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if (constitutive_phenopowerlaw_n_slip(i) <= 0.0_pReal) call IO_error(211_pInt,e=i,ext_msg='n_slip (' & if (constitutive_phenopowerlaw_n_slip(i) <= 0.0_pReal) call IO_error(211_pInt,i=i,ext_msg='n_slip (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if (any(constitutive_phenopowerlaw_tausat_slip(:,i) <= 0.0_pReal .and. & if (any(constitutive_phenopowerlaw_tausat_slip(:,i) <= 0.0_pReal .and. &
constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,e=i,ext_msg='tausat_slip (' & constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,i=i,ext_msg='tausat_slip (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if (any(constitutive_phenopowerlaw_a_slip(i) == 0.0_pReal .and. & if (any(constitutive_phenopowerlaw_a_slip(i) == 0.0_pReal .and. &
constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,e=i,ext_msg='a_slip (' & constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,i=i,ext_msg='a_slip (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if (any(constitutive_phenopowerlaw_tau0_twin(:,i) < 0.0_pReal .and. & if (any(constitutive_phenopowerlaw_tau0_twin(:,i) < 0.0_pReal .and. &
constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211_pInt,e=i,ext_msg='tau0_twin (' & constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211_pInt,i=i,ext_msg='tau0_twin (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if ( constitutive_phenopowerlaw_gdot0_twin(i) <= 0.0_pReal .and. & if ( constitutive_phenopowerlaw_gdot0_twin(i) <= 0.0_pReal .and. &
any(constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211_pInt,e=i,ext_msg='gdot0_twin (' & any(constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211_pInt,i=i,ext_msg='gdot0_twin (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if ( constitutive_phenopowerlaw_n_twin(i) <= 0.0_pReal .and. & if ( constitutive_phenopowerlaw_n_twin(i) <= 0.0_pReal .and. &
any(constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211_pInt,e=i,ext_msg='n_twin (' & any(constitutive_phenopowerlaw_Ntwin(:,i) > 0)) call IO_error(211_pInt,i=i,ext_msg='n_twin (' &
//CONSTITUTIVE_PHENOPOWERLAW_label//')') //CONSTITUTIVE_PHENOPOWERLAW_label//')')
if (constitutive_phenopowerlaw_aTolResistance(i) <= 0.0_pReal) & if (constitutive_phenopowerlaw_aTolResistance(i) <= 0.0_pReal) &
constitutive_phenopowerlaw_aTolResistance(i) = 1.0_pReal ! default absolute tolerance 1 Pa constitutive_phenopowerlaw_aTolResistance(i) = 1.0_pReal ! default absolute tolerance 1 Pa

2
code/constitutive_titanmod.f90
View File

@ -231,7 +231,7 @@ subroutine constitutive_titanmod_init(myFile)
integer(pInt), parameter :: MAXNCHUNKS = 21_pInt integer(pInt), parameter :: MAXNCHUNKS = 21_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt), dimension(6) :: configNchunks integer(pInt), dimension(7) :: configNchunks
integer(pInt) :: section = 0_pInt,f,i,j,k,l,m,n,o,p,q,r,s,s1,s2,t,t1,t2,ns,nt,& integer(pInt) :: section = 0_pInt,f,i,j,k,l,m,n,o,p,q,r,s,s1,s2,t,t1,t2,ns,nt,&
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, &

99
code/lattice.f90
View File

@ -880,53 +880,54 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
endif endif
case ('hex') case ('hex')
if (CoverA >= 1.0_pReal) then ! checking physical significance of c/a if (CoverA < 1.0_pReal) then ! checking physical significance of c/a
lattice_hex_Nstructure = lattice_hex_Nstructure + 1_pInt ! count instances of hex structures call IO_error(206_pInt)
myStructure = 2_pInt + lattice_hex_Nstructure ! 3,4,5,.. for hex
myNslipSystem = lattice_hex_NslipSystem ! size of slip system families
myNtwinSystem = lattice_hex_NtwinSystem ! size of twin system families
myNslip = lattice_hex_Nslip ! overall number of slip systems
myNtwin = lattice_hex_Ntwin ! overall number of twin systems
processMe = .true.
lattice_NnonSchmid(myStructure) = lattice_hex_NnonSchmid ! Currently no known non schmid contributions for hex (to be changed later)
! converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexgonal system (a, b, c)
do i = 1_pInt,myNslip
sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*(0.5_pReal*sqrt(3.0_pReal))
sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
do j = 1_pInt,lattice_hex_NnonSchmid
sns(1:3,1:3,1,j,i) = 0.0_pReal
sns(1:3,1:3,2,j,i) = 0.0_pReal
enddo
enddo
do i = 1_pInt,myNtwin
td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal
td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*(0.5_pReal*sqrt(3.0_pReal))
td(3,i) = lattice_hex_systemTwin(4,i)*CoverA
tn(1,i) = lattice_hex_systemTwin(5,i)
tn(2,i) = (lattice_hex_systemTwin(5,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/sqrt(3.0_pReal)
tn(3,i) = lattice_hex_systemTwin(8,i)/CoverA
select case(lattice_hex_shearTwin(i)) ! from Christian & Mahajan 1995 p.29
case (1_pInt) ! <-10.1>{10.2}
ts(i) = (3.0_pReal-CoverA*CoverA)/sqrt(3.0_pReal)/CoverA
case (2_pInt) ! <11.6>{-1-1.1}
ts(i) = 1.0_pReal/CoverA
case (3_pInt) ! <10.-2>{10.1}
ts(i) = (4.0_pReal*CoverA*CoverA-9.0_pReal)/4.0_pReal/sqrt(3.0_pReal)/CoverA
case (4_pInt) ! <11.-3>{11.2}
ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
end select
enddo
interactionSlipSlip => lattice_hex_interactionSlipSlip
interactionSlipTwin => lattice_hex_interactionSlipTwin
interactionTwinSlip => lattice_hex_interactionTwinSlip
interactionTwinTwin => lattice_hex_interactionTwinTwin
endif endif
lattice_hex_Nstructure = lattice_hex_Nstructure + 1_pInt ! count instances of hex structures
myStructure = 2_pInt + lattice_hex_Nstructure ! 3,4,5,.. for hex
myNslipSystem = lattice_hex_NslipSystem ! size of slip system families
myNtwinSystem = lattice_hex_NtwinSystem ! size of twin system families
myNslip = lattice_hex_Nslip ! overall number of slip systems
myNtwin = lattice_hex_Ntwin ! overall number of twin systems
processMe = .true.
lattice_NnonSchmid(myStructure) = lattice_hex_NnonSchmid ! Currently no known non schmid contributions for hex (to be changed later)
! converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexgonal system (a, b, c)
do i = 1_pInt,myNslip
sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*(0.5_pReal*sqrt(3.0_pReal))
sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
do j = 1_pInt,lattice_hex_NnonSchmid
sns(1:3,1:3,1,j,i) = 0.0_pReal
sns(1:3,1:3,2,j,i) = 0.0_pReal
enddo
enddo
do i = 1_pInt,myNtwin
td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal
td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*(0.5_pReal*sqrt(3.0_pReal))
td(3,i) = lattice_hex_systemTwin(4,i)*CoverA
tn(1,i) = lattice_hex_systemTwin(5,i)
tn(2,i) = (lattice_hex_systemTwin(5,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/sqrt(3.0_pReal)
tn(3,i) = lattice_hex_systemTwin(8,i)/CoverA
select case(lattice_hex_shearTwin(i)) ! from Christian & Mahajan 1995 p.29
case (1_pInt) ! <-10.1>{10.2}
ts(i) = (3.0_pReal-CoverA*CoverA)/sqrt(3.0_pReal)/CoverA
case (2_pInt) ! <11.6>{-1-1.1}
ts(i) = 1.0_pReal/CoverA
case (3_pInt) ! <10.-2>{10.1}
ts(i) = (4.0_pReal*CoverA*CoverA-9.0_pReal)/4.0_pReal/sqrt(3.0_pReal)/CoverA
case (4_pInt) ! <11.-3>{11.2}
ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
end select
enddo
interactionSlipSlip => lattice_hex_interactionSlipSlip
interactionSlipTwin => lattice_hex_interactionSlipTwin
interactionTwinSlip => lattice_hex_interactionTwinSlip
interactionTwinTwin => lattice_hex_interactionTwinTwin
end select end select
if (processMe) then if (processMe) then
@ -1064,13 +1065,14 @@ pure function lattice_symmetrizeC66(structName,C66)
! SlipTwinInteraction ! SlipTwinInteraction
! TwinSlipInteraction ! TwinSlipInteraction
! TwinTwinInteraction ! TwinTwinInteraction
! NnonSchmid
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_configNchunks(struct) function lattice_configNchunks(struct)
use prec, only: & use prec, only: &
pInt pInt
implicit none implicit none
integer(pInt), dimension(6) :: lattice_configNchunks integer(pInt), dimension(7) :: lattice_configNchunks
character(len=*), intent(in) :: struct character(len=*), intent(in) :: struct
select case(struct(1:3)) ! check first three chars of structure name select case(struct(1:3)) ! check first three chars of structure name
@ -1081,6 +1083,7 @@ function lattice_configNchunks(struct)
lattice_configNchunks(4) = maxval(lattice_fcc_interactionSlipTwin) lattice_configNchunks(4) = maxval(lattice_fcc_interactionSlipTwin)
lattice_configNchunks(5) = maxval(lattice_fcc_interactionTwinSlip) lattice_configNchunks(5) = maxval(lattice_fcc_interactionTwinSlip)
lattice_configNchunks(6) = maxval(lattice_fcc_interactionTwinTwin) lattice_configNchunks(6) = maxval(lattice_fcc_interactionTwinTwin)
lattice_configNchunks(7) = lattice_fcc_NnonSchmid
case ('bcc') case ('bcc')
lattice_configNchunks(1) = count(lattice_bcc_NslipSystem > 0_pInt) lattice_configNchunks(1) = count(lattice_bcc_NslipSystem > 0_pInt)
lattice_configNchunks(2) = count(lattice_bcc_NtwinSystem > 0_pInt) lattice_configNchunks(2) = count(lattice_bcc_NtwinSystem > 0_pInt)
@ -1088,6 +1091,7 @@ function lattice_configNchunks(struct)
lattice_configNchunks(4) = maxval(lattice_bcc_interactionSlipTwin) lattice_configNchunks(4) = maxval(lattice_bcc_interactionSlipTwin)
lattice_configNchunks(5) = maxval(lattice_bcc_interactionTwinSlip) lattice_configNchunks(5) = maxval(lattice_bcc_interactionTwinSlip)
lattice_configNchunks(6) = maxval(lattice_bcc_interactionTwinTwin) lattice_configNchunks(6) = maxval(lattice_bcc_interactionTwinTwin)
lattice_configNchunks(7) = lattice_bcc_NnonSchmid
case ('hex') case ('hex')
lattice_configNchunks(1) = count(lattice_hex_NslipSystem > 0_pInt) lattice_configNchunks(1) = count(lattice_hex_NslipSystem > 0_pInt)
lattice_configNchunks(2) = count(lattice_hex_NtwinSystem > 0_pInt) lattice_configNchunks(2) = count(lattice_hex_NtwinSystem > 0_pInt)
@ -1095,6 +1099,7 @@ function lattice_configNchunks(struct)
lattice_configNchunks(4) = maxval(lattice_hex_interactionSlipTwin) lattice_configNchunks(4) = maxval(lattice_hex_interactionSlipTwin)
lattice_configNchunks(5) = maxval(lattice_hex_interactionTwinSlip) lattice_configNchunks(5) = maxval(lattice_hex_interactionTwinSlip)
lattice_configNchunks(6) = maxval(lattice_hex_interactionTwinTwin) lattice_configNchunks(6) = maxval(lattice_hex_interactionTwinTwin)
lattice_configNchunks(7) = lattice_hex_NnonSchmid
end select end select
end function lattice_configNchunks end function lattice_configNchunks