specifying V_e is more natural than F_i
This commit is contained in:
Martin Diehl
parent
2a2324266c
commit
556d9d840e
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 1766c855e54668d6225c9b22db536be7052605bc
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Subproject commit d2c229e6dd81fb399b2c1b0658b750f7d309f175
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@ -482,7 +482,7 @@ class ConfigMaterial(Config):
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"""
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N,n,shaped = 1,1,{}
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map_dim = {'O':-1,'F_i':-2}
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map_dim = {'O':-1,'V_e':-2}
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for k,v in kwargs.items():
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shaped[k] = np.array(v)
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s = shaped[k].shape[:map_dim.get(k,None)]
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@ -494,12 +494,12 @@ class ConfigMaterial(Config):
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if 'v' not in kwargs:
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shaped['v'] = np.broadcast_to(1/n,(N,n))
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map_shape = {'O':(N,n,4),'F_i':(N,n,3,3)}
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map_shape = {'O':(N,n,4),'V_e':(N,n,3,3)}
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for k,v in shaped.items():
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target = map_shape.get(k,(N,n))
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obj = np.broadcast_to(v.reshape(util.shapeshifter(v.shape, target, mode = 'right')), target)
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for i in range(N):
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if k in ['phase','O','v','F_i']:
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if k in ['phase','O','v','V_e']:
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for j in range(n):
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mat[i]['constituents'][j][k] = obj[i,j].item() if isinstance(obj[i,j],np.generic) else obj[i,j]
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else:
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@ -113,15 +113,15 @@ class TestConfigMaterial:
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@pytest.mark.parametrize('N,n,kw',[
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(1,1,{'phase':'Gold',
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'O':[1,0,0,0],
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'F_i':np.eye(3),
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'V_e':np.eye(3),
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'homogenization':'SX'}),
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(3,1,{'phase':'Gold',
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'O':Rotation.from_random(3),
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'F_i':np.broadcast_to(np.eye(3),(3,3,3)),
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'V_e':np.broadcast_to(np.eye(3),(3,3,3)),
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'homogenization':'SX'}),
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(2,3,{'phase':np.broadcast_to(['a','b','c'],(2,3)),
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'O':Rotation.from_random((2,3)),
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'F_i':np.broadcast_to(np.eye(3),(2,3,3,3)),
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'V_e':np.broadcast_to(np.eye(3),(2,3,3,3)),
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'homogenization':['SX','PX']}),
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])
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def test_material_add(self,kw,N,n):
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@ -428,6 +428,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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msg = 'too many systems requested'
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case (146)
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msg = 'number of values does not match'
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case (147)
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msg = 'V_e needs to be symmetric'
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case (148)
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msg = 'Nconstituents mismatch between homogenization and material'
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@ -27,7 +27,7 @@ module material
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type(tRotationContainer), dimension(:), allocatable, public, protected :: material_O_0
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type(tTensorContainer), dimension(:), allocatable, public, protected :: material_F_i_0
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type(tTensorContainer), dimension(:), allocatable, public, protected :: material_V_e_0
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integer, dimension(:), allocatable, public, protected :: &
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homogenization_Nconstituents !< number of grains in each homogenization
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@ -133,7 +133,7 @@ subroutine parse()
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allocate(material_v(homogenization_maxNconstituents,discretization_Ncells),source=0.0_pReal)
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allocate(material_O_0(materials%length))
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allocate(material_F_i_0(materials%length))
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allocate(material_V_e_0(materials%length))
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allocate(ho_of(materials%length))
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allocate(ph_of(materials%length,homogenization_maxNconstituents),source=-1)
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@ -154,7 +154,7 @@ subroutine parse()
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if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
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allocate(material_O_0(ma)%data(constituents%length))
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allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length))
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allocate(material_V_e_0(ma)%data(1:3,1:3,constituents%length))
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do co = 1, constituents%length
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constituent => constituents%get(co)
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@ -162,7 +162,9 @@ subroutine parse()
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ph_of(ma,co) = phases%getIndex(constituent%get_asString('phase'))
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call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
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material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3])
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material_V_e_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('V_e',defaultVal=math_I3,requiredShape=[3,3])
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if (any(dNeq(material_V_e_0(ma)%data(1:3,1:3,co),transpose(material_V_e_0(ma)%data(1:3,1:3,co))))) &
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call IO_error(147)
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end do
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if (dNeq(sum(v_of(ma,:)),1.0_pReal,1.e-9_pReal)) call IO_error(153,ext_msg='constituent')
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@ -210,7 +210,6 @@ module subroutine mechanical_init(phases)
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Nmembers
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class(tNode), pointer :: &
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num_crystallite, &
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phase, &
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mech
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@ -239,11 +238,8 @@ module subroutine mechanical_init(phases)
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allocate(phase_mechanical_Fe(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_Fi(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_Fi0(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_Fp(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_Fp0(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_F(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_F0(ph)%data(3,3,Nmembers))
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allocate(phase_mechanical_Li(ph)%data(3,3,Nmembers),source=0.0_pReal)
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allocate(phase_mechanical_Li0(ph)%data(3,3,Nmembers),source=0.0_pReal)
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allocate(phase_mechanical_Lp(ph)%data(3,3,Nmembers),source=0.0_pReal)
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@ -265,23 +261,21 @@ module subroutine mechanical_init(phases)
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ma = discretization_materialAt((ce-1)/discretization_nIPs+1)
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do co = 1,homogenization_Nconstituents(material_homogenizationID(ce))
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ph = material_phaseID(co,ce)
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phase_mechanical_Fi0(ph)%data(1:3,1:3,material_phaseEntry(co,ce)) = material_F_i_0(ma)%data(1:3,1:3,co)
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en = material_phaseEntry(co,ce)
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phase_mechanical_F(ph)%data(1:3,1:3,en) = math_I3
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phase_mechanical_Fp(ph)%data(1:3,1:3,en) = material_O_0(ma)%data(co)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
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phase_mechanical_Fp(ph)%data(1:3,1:3,en) = phase_mechanical_Fp(ph)%data(1:3,1:3,en) &
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/ math_det33(phase_mechanical_Fp(ph)%data(1:3,1:3,en))**(1.0_pReal/3.0_pReal)
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phase_mechanical_Fe(ph)%data(1:3,1:3,en) = matmul(material_V_e_0(ma)%data(1:3,1:3,co), &
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transpose(phase_mechanical_Fp(ph)%data(1:3,1:3,en)))
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phase_mechanical_Fi(ph)%data(1:3,1:3,en) = material_O_0(ma)%data(co)%rotate(math_inv33(material_V_e_0(ma)%data(1:3,1:3,co)))
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enddo
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enddo
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do ph = 1, phases%length
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do en = 1, count(material_phaseID == ph)
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_O_0(ph)%data(en)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en) = phase_mechanical_Fp0(ph)%data(1:3,1:3,en) &
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/ math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,en))**(1.0_pReal/3.0_pReal)
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phase_mechanical_F0(ph)%data(1:3,1:3,en) = math_I3
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phase_mechanical_Fe(ph)%data(1:3,1:3,en) = math_inv33(matmul(phase_mechanical_Fi0(ph)%data(1:3,1:3,en), &
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phase_mechanical_Fp0(ph)%data(1:3,1:3,en))) ! assuming that euler angles are given in internal strain free configuration
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enddo
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phase_mechanical_Fp(ph)%data = phase_mechanical_Fp0(ph)%data
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phase_mechanical_Fi(ph)%data = phase_mechanical_Fi0(ph)%data
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phase_mechanical_F(ph)%data = phase_mechanical_F0(ph)%data
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phase_mechanical_F0(ph)%data = phase_mechanical_F(ph)%data
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phase_mechanical_Fp0(ph)%data = phase_mechanical_Fp(ph)%data
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phase_mechanical_Fi0(ph)%data = phase_mechanical_Fi(ph)%data
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enddo
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@ -318,7 +312,6 @@ module subroutine mechanical_init(phases)
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end select
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call eigen_init(phases)
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@ -1244,6 +1237,9 @@ module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF)
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end function phase_mechanical_dPdF
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!--------------------------------------------------------------------------------------------------
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!< @brief Write restart information to file.
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!--------------------------------------------------------------------------------------------------
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module subroutine mechanical_restartWrite(groupHandle,ph)
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integer(HID_T), intent(in) :: groupHandle
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@ -1251,36 +1247,41 @@ module subroutine mechanical_restartWrite(groupHandle,ph)
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call HDF5_write(plasticState(ph)%state,groupHandle,'omega_plastic')
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call HDF5_write(phase_mechanical_Fi(ph)%data,groupHandle,'F_i')
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call HDF5_write(phase_mechanical_Li(ph)%data,groupHandle,'L_i')
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call HDF5_write(phase_mechanical_Lp(ph)%data,groupHandle,'L_p')
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call HDF5_write(phase_mechanical_Fp(ph)%data,groupHandle,'F_p')
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call HDF5_write(phase_mechanical_S(ph)%data,groupHandle,'S')
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call HDF5_write(phase_mechanical_F(ph)%data,groupHandle,'F')
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call HDF5_write(phase_mechanical_Fp(ph)%data,groupHandle,'F_p')
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call HDF5_write(phase_mechanical_Fi(ph)%data,groupHandle,'F_i')
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call HDF5_write(phase_mechanical_Lp(ph)%data,groupHandle,'L_p')
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call HDF5_write(phase_mechanical_Li(ph)%data,groupHandle,'L_i')
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end subroutine mechanical_restartWrite
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!--------------------------------------------------------------------------------------------------
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!< @brief Read restart information from file.
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!--------------------------------------------------------------------------------------------------
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module subroutine mechanical_restartRead(groupHandle,ph)
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integer(HID_T), intent(in) :: groupHandle
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integer, intent(in) :: ph
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integer :: en
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call HDF5_read(plasticState(ph)%state0,groupHandle,'omega_plastic')
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call HDF5_read(phase_mechanical_Fi0(ph)%data,groupHandle,'F_i')
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call HDF5_read(phase_mechanical_Li0(ph)%data,groupHandle,'L_i')
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call HDF5_read(phase_mechanical_Lp0(ph)%data,groupHandle,'L_p')
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call HDF5_read(phase_mechanical_Fp0(ph)%data,groupHandle,'F_p')
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call HDF5_read(phase_mechanical_S0(ph)%data,groupHandle,'S')
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call HDF5_read(phase_mechanical_F0(ph)%data,groupHandle,'F')
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call HDF5_read(phase_mechanical_Fp0(ph)%data,groupHandle,'F_p')
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call HDF5_read(phase_mechanical_Fi0(ph)%data,groupHandle,'F_i')
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call HDF5_read(phase_mechanical_Lp0(ph)%data,groupHandle,'L_p')
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call HDF5_read(phase_mechanical_Li0(ph)%data,groupHandle,'L_i')
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end subroutine mechanical_restartRead
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!----------------------------------------------------------------------------------------------
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!< @brief Get first Piola-Kichhoff stress (for use by non-mech physics)
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!----------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!< @brief Get first Piola-Kichhoff stress (for use by non-mech physics).
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!--------------------------------------------------------------------------------------------------
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module function mechanical_S(ph,en) result(S)
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integer, intent(in) :: ph,en
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@ -1292,9 +1293,9 @@ module function mechanical_S(ph,en) result(S)
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end function mechanical_S
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!----------------------------------------------------------------------------------------------
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!< @brief Get plastic velocity gradient (for use by non-mech physics)
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!----------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!< @brief Get plastic velocity gradient (for use by non-mech physics).
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!--------------------------------------------------------------------------------------------------
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module function mechanical_L_p(ph,en) result(L_p)
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integer, intent(in) :: ph,en
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@ -1306,9 +1307,9 @@ module function mechanical_L_p(ph,en) result(L_p)
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end function mechanical_L_p
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!----------------------------------------------------------------------------------------------
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!< @brief Get elastic deformation gradient (for use by non-mech physics)
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!----------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!< @brief Get elastic deformation gradient (for use by non-mech physics).
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!--------------------------------------------------------------------------------------------------
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module function mechanical_F_e(ph,en) result(F_e)
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integer, intent(in) :: ph,en
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@ -1320,9 +1321,9 @@ module function mechanical_F_e(ph,en) result(F_e)
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end function mechanical_F_e
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!----------------------------------------------------------------------------------------------
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!< @brief Get second Piola-Kichhoff stress (for use by homogenization)
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!----------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!< @brief Get second Piola-Kichhoff stress (for use by homogenization).
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!--------------------------------------------------------------------------------------------------
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module function phase_P(co,ce) result(P)
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integer, intent(in) :: co, ce
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@ -1334,9 +1335,9 @@ module function phase_P(co,ce) result(P)
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end function phase_P
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!----------------------------------------------------------------------------------------------
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!< @brief Get deformation gradient (for use by homogenization)
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!----------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!< @brief Get deformation gradient (for use by homogenization).
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!--------------------------------------------------------------------------------------------------
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module function phase_F(co,ce) result(F)
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integer, intent(in) :: co, ce
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@ -1348,9 +1349,9 @@ module function phase_F(co,ce) result(F)
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end function phase_F
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!----------------------------------------------------------------------------------------------
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!< @brief Set deformation gradient (for use by homogenization)
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!----------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!< @brief Set deformation gradient (for use by homogenization).
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!--------------------------------------------------------------------------------------------------
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module subroutine phase_set_F(F,co,ce)
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real(pReal), dimension(3,3), intent(in) :: F
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@ -323,17 +323,16 @@ pure function rotTensor2(self,T,active) result(tRot)
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logical :: passive
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if (present(active)) then
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passive = .not. active
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else
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passive = .true.
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endif
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if (passive) then
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tRot = matmul(matmul(self%asMatrix(),T),transpose(self%asMatrix()))
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else
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tRot = matmul(matmul(transpose(self%asMatrix()),T),self%asMatrix())
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endif
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tRot = merge(matmul(matmul(self%asMatrix(),T),transpose(self%asMatrix())), &
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matmul(matmul(transpose(self%asMatrix()),T),self%asMatrix()), &
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passive)
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end function rotTensor2
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