Merge remote-tracking branch 'origin/development' into development
This commit is contained in:
Zhuowen Zhao
commit
b66a9a3527
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@ -0,0 +1,25 @@
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[Air]
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## Isotropic Material model to simulate free surfaces ##
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## For more information see paper Maiti+Eisenlohr2018, Scripta Materialia,
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## "Fourier-based spectral method solution to finite strain crystal plasticity with free surfaces"
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elasticity hooke
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plasticity isotropic
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/dilatation/
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(output) flowstress
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(output) strainrate
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lattice_structure isotropic
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c11 110.9e9
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c12 0.0
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taylorfactor 3
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tau0 31e6
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gdot0 0.001
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n 20
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h0 75e6
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tausat 63e6
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w0 2.25
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atol_resistance 1
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@ -22,7 +22,13 @@ parser.add_option('-t','--tensor',
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dest = 'tensor',
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action = 'extend', metavar = '<string LIST>',
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help = 'heading of columns containing tensor field values')
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parser.add_option('--no-check',
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dest = 'rh',
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action = 'store_false',
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help = 'skip check for right-handed eigenvector basis')
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parser.set_defaults(rh = True,
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)
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(options,filenames) = parser.parse_args()
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if options.tensor is None:
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@ -57,8 +63,10 @@ for name in filenames:
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if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
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else:
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items[type]['column'].append(table.label_index(what))
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table.labels_append(['{}_eigval({})'.format(i+1,what) for i in range(3)]) # extend ASCII header with new labels
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table.labels_append(['{}_eigvec({})'.format(i+1,what) for i in range(9)]) # extend ASCII header with new labels
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for order in ['Min','Mid','Max']:
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table.labels_append(['eigval{}({})'.format(order,what)]) # extend ASCII header with new labels
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for order in ['Min','Mid','Max']:
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table.labels_append(['{}_eigvec{}({})'.format(i+1,order,what) for i in range(3)]) # extend ASCII header with new labels
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if remarks != []: damask.util.croak(remarks)
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if errors != []:
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@ -78,10 +86,10 @@ for name in filenames:
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for type, data in items.iteritems():
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for column in data['column']:
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(u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape']))
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if np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed coordinate system
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table.data_append(list(u))
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table.data_append(list(v.transpose().reshape(data['dim'])))
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outputAlive = table.data_write() # output processed line
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if options.rh and np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed eigenvector basis
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table.data_append(list(u)) # vector of max,mid,min eigval
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table.data_append(list(v.transpose().reshape(data['dim']))) # 3x3=9 combo vector of max,mid,min eigvec coordinates
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outputAlive = table.data_write() # output processed line in accordance with column labeling
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# ------------------------------------------ output finalization -----------------------------------
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@ -1581,7 +1581,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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case (601_pInt)
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msg = 'Ping-Pong needed when using non-local plasticity'
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case (602_pInt)
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msg = 'invalid element/IP/component (grain) selected for debug'
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msg = 'invalid selection for debug'
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!-------------------------------------------------------------------------------------------------
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! DAMASK_marc errors
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@ -471,7 +471,7 @@ subroutine homogenization_init
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flush(6)
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if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
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call IO_error(602_pInt,ext_msg='component (grain)')
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call IO_error(602_pInt,ext_msg='component (grain)', el=debug_e, g=debug_g)
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end subroutine homogenization_init
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52
src/math.f90
52
src/math.f90
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@ -3,7 +3,7 @@
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Mathematical library, including random number generation and tensor represenations
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!> @brief Mathematical library, including random number generation and tensor representations
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!--------------------------------------------------------------------------------------------------
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module math
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use prec, only: &
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@ -173,10 +173,8 @@ contains
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subroutine math_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use prec, only: tol_math_check
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use numerics, only: &
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fixedSeed
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use IO, only: IO_error, IO_timeStamp
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use numerics, only: fixedSeed
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use IO, only: IO_timeStamp
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implicit none
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integer(pInt) :: i
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@ -226,12 +224,10 @@ end subroutine math_init
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!--------------------------------------------------------------------------------------------------
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subroutine math_check
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use prec, only: tol_math_check
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use numerics, only: &
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fixedSeed
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use IO, only: IO_error, IO_timeStamp
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use IO, only: IO_error
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implicit none
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character(len=64) :: error_msg
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real(pReal), dimension(3,3) :: R,R2
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@ -268,7 +264,7 @@ subroutine math_check
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if ( any(abs( q-q2) > tol_math_check) .and. &
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any(abs(-q-q2) > tol_math_check) ) then
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write (error_msg, '(a,e14.6)' ) &
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'quat -> euler -> quatmaximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
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'quat -> euler -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
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call IO_error(401_pInt,ext_msg=error_msg)
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endif
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@ -373,23 +369,19 @@ end subroutine math_qsort
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!--------------------------------------------------------------------------------------------------
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!> @brief vector expansion
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!> @details takes a set of numbers (a,b,c,...) and corresponding multipliers (x,y,z,...)
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!> to return a vector of x times a, y times b, z times c, ...
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!> @details takes a set of numbers (a,b,c,...) and corresponding multiples (x,y,z,...)
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!> to return a vector of x times a, y times b, z times c, ...
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!--------------------------------------------------------------------------------------------------
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pure function math_expand(what,how)
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implicit none
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real(pReal), dimension(:), intent(in) :: what
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integer(pInt), dimension(:), intent(in) :: how
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real(pReal), dimension(:), intent(in) :: what
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integer(pInt), dimension(:), intent(in) :: how
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real(pReal), dimension(sum(how)) :: math_expand
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integer(pInt) :: i,j,o
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integer(pInt) :: i
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o = 0_pInt
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do i = 1, size(how)
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do j = 1, how(i)
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o = o + 1_pInt
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math_expand(o) = what(1+mod(i-1,size(what)))
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enddo
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do i = 1_pInt, size(how)
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math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt)
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enddo
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end function math_expand
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@ -709,22 +701,20 @@ end function math_mul66x6
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pure function math_exp33(A,n)
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implicit none
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integer(pInt) :: i,order
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integer(pInt) :: i
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integer(pInt), intent(in), optional :: n
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real(pReal), dimension(3,3), intent(in) :: A
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real(pReal), dimension(3,3) :: B,math_exp33
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real(pReal) :: invfac
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order = merge(n,5_pInt,present(n))
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real(pReal), dimension(3,3), intent(in) :: A
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real(pReal), dimension(3,3) :: B, math_exp33
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real(pReal) :: invFac
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B = math_I3 ! init
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invfac = 1.0_pReal ! 0!
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invFac = 1.0_pReal ! 0!
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math_exp33 = B ! A^0 = eye2
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do i = 1_pInt,n
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invfac = invfac/real(i,pReal) ! invfac = 1/i!
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do i = 1_pInt, merge(n,5_pInt,present(n))
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invFac = invFac/real(i,pReal) ! invfac = 1/i!
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B = math_mul33x33(B,A)
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math_exp33 = math_exp33 + invfac*B ! exp = SUM (A^i)/i!
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math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/i!
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enddo
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end function math_exp33
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