improved warning and error messages
This commit is contained in:
Martin Diehl
parent
1333921ed5
commit
eaa3e32f21
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@ -1721,6 +1721,8 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
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msg = 'found PETSc solver parameter'
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case (42_pInt)
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msg = 'parameter has no effect'
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case (43_pInt)
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msg = 'main diagonal of C66 close to zero'
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case (47_pInt)
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msg = 'no valid parameter for FFTW, using FFTW_PATIENT'
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case (50_pInt)
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@ -407,11 +407,11 @@ allocate(constitutive_phenopowerlaw_sizePostResults(maxNinstance),
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myPhase: if (phase_plasticity(phase) == PLASTICITY_phenopowerlaw_ID) then
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instance = phase_plasticityInstance(phase)
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constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance) = &
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min(lattice_NslipSystem(1:lattice_maxNslipFamily,phase),& ! limit active slip systems per family to min of available and requested
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constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance))
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min(lattice_NslipSystem(1:lattice_maxNslipFamily,phase),& ! limit active slip systems per family to min of available and requested
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constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance))
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constitutive_phenopowerlaw_Ntwin(1:lattice_maxNtwinFamily,instance) = &
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min(lattice_NtwinSystem(1:lattice_maxNtwinFamily,phase),& ! limit active twin systems per family to min of available and requested
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constitutive_phenopowerlaw_Ntwin(:,instance))
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min(lattice_NtwinSystem(1:lattice_maxNtwinFamily,phase),& ! limit active twin systems per family to min of available and requested
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constitutive_phenopowerlaw_Ntwin(:,instance))
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constitutive_phenopowerlaw_totalNslip(instance) = sum(constitutive_phenopowerlaw_Nslip(:,instance)) ! how many slip systems altogether
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constitutive_phenopowerlaw_totalNtwin(instance) = sum(constitutive_phenopowerlaw_Ntwin(:,instance)) ! how many twin systems altogether
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@ -922,31 +922,32 @@ subroutine lattice_init
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call IO_error(450_pInt,ext_msg=trim(IO_lc(IO_stringValue(line,positions,2_pInt))))
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end select
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case ('c11')
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lattice_C66(1,1,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(1,1,section) = IO_floatValue(line,positions,2_pInt)
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case ('c12')
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lattice_C66(1,2,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(1,2,section) = IO_floatValue(line,positions,2_pInt)
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case ('c13')
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lattice_C66(1,3,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(1,3,section) = IO_floatValue(line,positions,2_pInt)
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case ('c22')
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lattice_C66(2,2,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(2,2,section) = IO_floatValue(line,positions,2_pInt)
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case ('c23')
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lattice_C66(2,3,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(2,3,section) = IO_floatValue(line,positions,2_pInt)
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case ('c33')
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lattice_C66(3,3,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(3,3,section) = IO_floatValue(line,positions,2_pInt)
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case ('c44')
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lattice_C66(4,4,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(4,4,section) = IO_floatValue(line,positions,2_pInt)
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case ('c55')
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lattice_C66(5,5,section) = IO_floatValue(line,positions,2_pInt)
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lattice_C66(5,5,section) = IO_floatValue(line,positions,2_pInt)
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case ('c66')
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lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt)
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case ('covera_ratio','c/a_ratio','c/a')
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lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt)
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case ('covera_ratio','c/a_ratio','c/a')
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CoverA(section) = IO_floatValue(line,positions,2_pInt)
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if (CoverA(section) < 1.0_pReal .or. CoverA(section) > 2.0_pReal) call IO_error(206_pInt) ! checking physical significance of c/a
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end select
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endif
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enddo
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do i = 1_pInt,Nphases
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if (CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal &
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.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(206_pInt) ! checking physical significance of c/a
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call lattice_initializeStructure(i, CoverA(i))
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enddo
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@ -995,7 +996,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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i,j, &
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myNslip, myNtwin
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lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),lattice_C66(1:6,1:6,myPhase))
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lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
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lattice_C66(1:6,1:6,myPhase))
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lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
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- lattice_C66(1,2,myPhase) &
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+ 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
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@ -1007,6 +1009,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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+ 2.0_pReal*lattice_C66(4,4,myPhase))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
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lattice_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_C66(1:6,1:6,myPhase)) ! Literature data is Voigt
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lattice_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_C3333(1:3,1:3,1:3,1:3,myPhase)) ! DAMASK uses Mandel
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do i = 1_pInt, 6_pInt
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if (abs(lattice_C66(i,i,myPhase))<tol_math_check) call IO_error(43_pInt,el=i,ip=myPhase)
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enddo
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select case(lattice_structure(myPhase))
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@ -1080,7 +1085,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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do i = 1_pInt,myNslip ! assign slip system vectors
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sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
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sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*&
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(0.5_pReal*sqrt(3.0_pReal))
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0.5_pReal*sqrt(3.0_pReal)
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sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
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sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
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sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
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@ -1089,20 +1094,20 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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do i = 1_pInt,myNtwin ! assign twin system vectors and shears
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td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal
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td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*&
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(0.5_pReal*sqrt(3.0_pReal))
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0.5_pReal*sqrt(3.0_pReal)
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td(3,i) = lattice_hex_systemTwin(4,i)*CoverA
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tn(1,i) = lattice_hex_systemTwin(5,i)
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tn(2,i) = (lattice_hex_systemTwin(5,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/sqrt(3.0_pReal)
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tn(3,i) = lattice_hex_systemTwin(8,i)/CoverA
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select case(lattice_hex_shearTwin(i)) ! from Christian & Mahajan 1995 p.29
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case (1_pInt) ! <-10.1>{10.2}
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ts(i) = (3.0_pReal-CoverA*CoverA)/sqrt(3.0_pReal)/CoverA
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ts(i) = (3.0_pReal-CoverA*CoverA)/sqrt(3.0_pReal)/CoverA
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case (2_pInt) ! <11.6>{-1-1.1}
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ts(i) = 1.0_pReal/CoverA
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ts(i) = 1.0_pReal/CoverA
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case (3_pInt) ! <10.-2>{10.1}
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ts(i) = (4.0_pReal*CoverA*CoverA-9.0_pReal)/4.0_pReal/sqrt(3.0_pReal)/CoverA
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ts(i) = (4.0_pReal*CoverA*CoverA-9.0_pReal)/4.0_pReal/sqrt(3.0_pReal)/CoverA
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case (4_pInt) ! <11.-3>{11.2}
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ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
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ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
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end select
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enddo
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lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem
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@ -1143,14 +1148,14 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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enddo
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if (abs(math_trace33(lattice_Sslip(1:3,1:3,1,i,myPhase))) > tol_math_check) &
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call IO_error(0_pInt,myPhase,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
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enddo
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do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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enddo
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do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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lattice_td(1:3,i,myPhase) = td(1:3,i)/math_norm3(td(1:3,i)) ! make unit vector
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lattice_tn(1:3,i,myPhase) = tn(1:3,i)/math_norm3(tn(1:3,i)) ! make unit vector
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lattice_tt(1:3,i,myPhase) = math_vectorproduct(lattice_td(1:3,i,myPhase), &
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lattice_tn(1:3,i,myPhase))
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lattice_tn(1:3,i,myPhase))
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lattice_Stwin(1:3,1:3,i,myPhase) = math_tensorproduct(lattice_td(1:3,i,myPhase), &
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lattice_tn(1:3,i,myPhase))
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lattice_tn(1:3,i,myPhase))
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lattice_Stwin_v(1:6,i,myPhase) = math_Mandel33to6(math_symmetric33(lattice_Stwin(1:3,1:3,i,myPhase)))
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lattice_Qtwin(1:3,1:3,i,myPhase) = math_axisAngleToR(tn(1:3,i),180.0_pReal*INRAD)
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lattice_shearTwin(i,myPhase) = ts(i)
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