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Philip Eisenlohr 2021-11-21 15:49:04 -05:00
parent 021d614daf
commit da23c916ca
4 changed files with 105 additions and 107 deletions
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54
src/lattice.f90
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@ -405,7 +405,7 @@ module lattice
contains
!--------------------------------------------------------------------------------------------------
!> @brief Module initialization
!> @brief module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
@ -417,7 +417,7 @@ end subroutine lattice_init
!--------------------------------------------------------------------------------------------------
!> @brief Characteristic shear for twinning
!> @brief characteristic shear for twinning
!--------------------------------------------------------------------------------------------------
function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(characteristicShear)
@ -491,7 +491,7 @@ end function lattice_characteristicShear_Twin
!--------------------------------------------------------------------------------------------------
!> @brief Rotated elasticity matrices for twinning in 66-vector notation
!> @brief rotated elasticity matrices for twinning in 6x6-matrix notation
!--------------------------------------------------------------------------------------------------
function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
@ -529,7 +529,7 @@ end function lattice_C66_twin
!--------------------------------------------------------------------------------------------------
!> @brief Rotated elasticity matrices for transformation in 66-vector notation
!> @brief rotated elasticity matrices for transformation in 6x6-matrix notation
!--------------------------------------------------------------------------------------------------
function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
cOverA_trans,a_bcc,a_fcc)
@ -588,7 +588,7 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
!--------------------------------------------------------------------------------------------------
!> @brief Non-schmid projections for bcc with up to 6 coefficients
!> @brief non-Schmid projections for bcc with up to 6 coefficients
! Koester et al. 2012, Acta Materialia 60 (2012) 3894–3901, eq. (17)
! Gröger et al. 2008, Acta Materialia 56 (2008) 5412–5425, table 1
!--------------------------------------------------------------------------------------------------
@ -635,7 +635,7 @@ end function lattice_nonSchmidMatrix
!--------------------------------------------------------------------------------------------------
!> @brief Slip-slip interaction matrix
!> @brief slip-slip interaction matrix
!> details only active slip systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(interactionMatrix)
@ -883,7 +883,7 @@ end function lattice_interaction_SlipBySlip
!--------------------------------------------------------------------------------------------------
!> @brief Twin-twin interaction matrix
!> @brief twin-twin interaction matrix
!> details only active twin systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(interactionMatrix)
@ -981,7 +981,7 @@ end function lattice_interaction_TwinByTwin
!--------------------------------------------------------------------------------------------------
!> @brief Trans-trans interaction matrix
!> @brief trans-trans interaction matrix
!> details only active trans systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) result(interactionMatrix)
@ -1023,7 +1023,7 @@ end function lattice_interaction_TransByTrans
!--------------------------------------------------------------------------------------------------
!> @brief Slip-twin interaction matrix
!> @brief slip-twin interaction matrix
!> details only active slip and twin systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) result(interactionMatrix)
@ -1186,7 +1186,7 @@ end function lattice_interaction_SlipByTwin
!--------------------------------------------------------------------------------------------------
!> @brief Slip-trans interaction matrix
!> @brief slip-trans interaction matrix
!> details only active slip and trans systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice) result(interactionMatrix)
@ -1239,7 +1239,7 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice)
!--------------------------------------------------------------------------------------------------
!> @brief Twin-slip interaction matrix
!> @brief twin-slip interaction matrix
!> details only active twin and slip systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) result(interactionMatrix)
@ -1411,7 +1411,7 @@ end function lattice_SchmidMatrix_twin
!--------------------------------------------------------------------------------------------------
!> @brief Schmid matrix for twinning
!> @brief Schmid matrix for transformation
!> details only active twin systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_bcc,a_fcc) result(SchmidMatrix)
@ -1483,7 +1483,7 @@ end function lattice_SchmidMatrix_cleavage
!--------------------------------------------------------------------------------------------------
!> @brief Slip direction of slip systems (|| b)
!> @brief slip direction of slip systems (|| b)
!--------------------------------------------------------------------------------------------------
function lattice_slip_direction(Nslip,lattice,cOverA) result(d)
@ -1501,7 +1501,7 @@ end function lattice_slip_direction
!--------------------------------------------------------------------------------------------------
!> @brief Normal direction of slip systems (|| n)
!> @brief normal direction of slip systems (|| n)
!--------------------------------------------------------------------------------------------------
function lattice_slip_normal(Nslip,lattice,cOverA) result(n)
@ -1519,7 +1519,7 @@ end function lattice_slip_normal
!--------------------------------------------------------------------------------------------------
!> @brief Transverse direction of slip systems (|| t = b x n)
!> @brief transverse direction of slip systems (|| t = b x n)
!--------------------------------------------------------------------------------------------------
function lattice_slip_transverse(Nslip,lattice,cOverA) result(t)
@ -1537,7 +1537,7 @@ end function lattice_slip_transverse
!--------------------------------------------------------------------------------------------------
!> @brief Labels for slip systems
!> @brief labels of slip systems
!> details only active slip systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_labels_slip(Nslip,lattice) result(labels)
@ -1578,7 +1578,7 @@ end function lattice_labels_slip
!--------------------------------------------------------------------------------------------------
!> @brief Return 3x3 tensor with symmetry according to given Bravais lattice
!> @brief return 3x3 tensor with symmetry according to given Bravais lattice
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrize_33(T,lattice) result(T_sym)
@ -1605,7 +1605,7 @@ end function lattice_symmetrize_33
!--------------------------------------------------------------------------------------------------
!> @brief Return stiffness matrix in 6x6 notation with symmetry according to given Bravais lattice
!> @brief return stiffness matrix in 6x6 notation with symmetry according to given Bravais lattice
!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
@ -1651,7 +1651,7 @@ end function lattice_symmetrize_C66
!--------------------------------------------------------------------------------------------------
!> @brief Labels for twin systems
!> @brief labels of twin systems
!> details only active twin systems are considered
!--------------------------------------------------------------------------------------------------
function lattice_labels_twin(Ntwin,lattice) result(labels)
@ -1689,7 +1689,7 @@ end function lattice_labels_twin
!--------------------------------------------------------------------------------------------------
!> @brief Projection of the transverse direction onto the slip plane
!> @brief projection of the transverse direction onto the slip plane
!> @details: This projection is used to calculate forest hardening for edge dislocations
!--------------------------------------------------------------------------------------------------
function slipProjection_transverse(Nslip,lattice,cOverA) result(projection)
@ -1713,7 +1713,7 @@ end function slipProjection_transverse
!--------------------------------------------------------------------------------------------------
!> @brief Projection of the slip direction onto the slip plane
!> @brief projection of the slip direction onto the slip plane
!> @details: This projection is used to calculate forest hardening for screw dislocations
!--------------------------------------------------------------------------------------------------
function slipProjection_direction(Nslip,lattice,cOverA) result(projection)
@ -1779,7 +1779,7 @@ end function coordinateSystem_slip
!--------------------------------------------------------------------------------------------------
!> @brief Populate reduced interaction matrix
!> @brief populate reduced interaction matrix
!--------------------------------------------------------------------------------------------------
function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix)
@ -1822,7 +1822,7 @@ end function buildInteraction
!--------------------------------------------------------------------------------------------------
!> @brief Build a local coordinate system on slip, twin, trans, cleavage systems
!> @brief build a local coordinate system on slip, twin, trans, cleavage systems
!> @details Order: Direction, plane (normal), and common perpendicular
!--------------------------------------------------------------------------------------------------
function buildCoordinateSystem(active,potential,system,lattice,cOverA)
@ -1889,7 +1889,7 @@ end function buildCoordinateSystem
!--------------------------------------------------------------------------------------------------
!> @brief Helper function to define transformation systems
!> @brief helper function to define transformation systems
! Needed to calculate Schmid matrix and rotated stiffness matrices.
! @details: set c/a = 0.0 for fcc -> bcc transformation
! set a_Xcc = 0.0 for fcc -> hex transformation
@ -2073,7 +2073,7 @@ end function getlabels
!--------------------------------------------------------------------------------------------------
!> @brief Equivalent Poisson's ratio (ν)
!> @brief equivalent Poisson's ratio (ν)
!> @details https://doi.org/10.1143/JPSJ.20.635
!--------------------------------------------------------------------------------------------------
function lattice_equivalent_nu(C,assumption) result(nu)
@ -2106,7 +2106,7 @@ end function lattice_equivalent_nu
!--------------------------------------------------------------------------------------------------
!> @brief Equivalent shear modulus (μ)
!> @brief equivalent shear modulus (μ)
!> @details https://doi.org/10.1143/JPSJ.20.635
!--------------------------------------------------------------------------------------------------
function lattice_equivalent_mu(C,assumption) result(mu)
@ -2135,7 +2135,7 @@ end function lattice_equivalent_mu
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some lattice functions.
!> @brief check correctness of some lattice functions
!--------------------------------------------------------------------------------------------------
subroutine selfTest

12
src/math.f90
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@ -15,15 +15,15 @@ module math
implicit none
public
#if __INTEL_COMPILER >= 1900
! do not make use associated entities available to other modules
! do not make use of associated entities available to other modules
private :: &
IO, &
config
#endif
real(pReal), parameter :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter
real(pReal), parameter :: INDEG = 180.0_pReal/PI !< conversion from radian into degree
real(pReal), parameter :: INRAD = PI/180.0_pReal !< conversion from degree into radian
real(pReal), parameter :: INDEG = 180.0_pReal/PI !< conversion from radian to degree
real(pReal), parameter :: INRAD = PI/180.0_pReal !< conversion from degree to radian
complex(pReal), parameter :: TWOPIIMG = cmplx(0.0_pReal,2.0_pReal*PI) !< Re(0.0), Im(2xPi)
real(pReal), dimension(3,3), parameter :: &
@ -822,7 +822,7 @@ end function math_sym3333to66
!--------------------------------------------------------------------------------------------------
!> @brief convert 66 matrix into symmetric 3x3x3x3 matrix
!> @brief convert 6x6 matrix into symmetric 3x3x3x3 matrix
!> @details Weighted conversion (default) rearranges according to Nye and weights shear
! components according to Mandel. Advisable for matrix operations.
! Unweighted conversion only rearranges order according to Nye
@ -854,7 +854,7 @@ end function math_66toSym3333
!--------------------------------------------------------------------------------------------------
!> @brief Convert 6x6 Voigt matrix into symmetric 3x3x3x3 matrix.
!> @brief convert 6x6 Voigt matrix into symmetric 3x3x3x3 matrix
!--------------------------------------------------------------------------------------------------
pure function math_Voigt66to3333(m66)
@ -875,7 +875,7 @@ end function math_Voigt66to3333
!--------------------------------------------------------------------------------------------------
!> @brief Convert symmetric 3x3x3x3 matrix into 6x6 Voigt matrix.
!> @brief convert symmetric 3x3x3x3 matrix into 6x6 Voigt matrix
!--------------------------------------------------------------------------------------------------
pure function math_3333toVoigt66(m3333)

10
src/phase_mechanical_elastic.f90
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@ -15,7 +15,7 @@ submodule(phase:mechanical) elastic
contains
!--------------------------------------------------------------------------------------------------
!> @brief Initialize elasticity.
!> @brief initialize elasticity
!--------------------------------------------------------------------------------------------------
module subroutine elastic_init(phases)
@ -62,7 +62,7 @@ end subroutine elastic_init
!--------------------------------------------------------------------------------------------------
!> @brief Return 6x6 elasticity tensor.
!> @brief return 6x6 elasticity tensor
!--------------------------------------------------------------------------------------------------
module function elastic_C66(ph,en) result(C66)
@ -93,7 +93,7 @@ end function elastic_C66
!--------------------------------------------------------------------------------------------------
!> @brief Return shear modulus.
!> @brief return shear modulus
!--------------------------------------------------------------------------------------------------
module function elastic_mu(ph,en) result(mu)
@ -110,7 +110,7 @@ end function elastic_mu
!--------------------------------------------------------------------------------------------------
!> @brief Return Poisson ratio.
!> @brief return Poisson ratio
!--------------------------------------------------------------------------------------------------
module function elastic_nu(ph,en) result(nu)
@ -128,7 +128,7 @@ end function elastic_nu
!--------------------------------------------------------------------------------------------------
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> @brief return the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> the elastic and intermediate deformation gradients using Hooke's law
! ToDo: Use Voigt matrix directly
!--------------------------------------------------------------------------------------------------

4
src/phase_mechanical_plastic_dislotwin.f90
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@ -473,9 +473,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
integer, intent(in) :: &
ph, en
real(pReal), dimension(6,6) :: &
homogenizedC
real(pReal), dimension(6,6) :: &
homogenizedC, &
C
real(pReal), dimension(:,:,:), allocatable :: &
C66_tw, &