Merge branch 'homogenization-output' into 'development'
extra output in phase_thermal and homogenization_mechanical See merge request damask/DAMASK!530
This commit is contained in:
commit
3657b2316d
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 857b994fb7222ab15a2b8c4ded2bba8787d7feb6
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Subproject commit 7218e3a52b863665544a541ef1f1ad6ef7bca98c
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@ -0,0 +1 @@
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N_constituents: 8
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@ -1,4 +0,0 @@
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[Parallel3]
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mech isostrain
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nconstituents 3
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mapping sum # or 'parallel'
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@ -0,0 +1 @@
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N_constituents: 2
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@ -0,0 +1,3 @@
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# For single point calculations, requires N_constituents = 1
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type: pass
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output: ['T']
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@ -0,0 +1 @@
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N_constituents: 1
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@ -1,10 +1,8 @@
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8Grains:
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# For Relaxed Grain Cluster homogenization, requires N_constituents = 8
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N_constituents: 8
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type: RGC
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mechanical:
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D_alpha: [4.0e-06, 4.0e-06, 2.0e-06]
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type: RGC
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a_g: [0.0, 0.0, 0.0]
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D_alpha: [4.0e-06, 4.0e-06, 2.0e-06]
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c_alpha: 2.0
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a_g: [0.0, 0.0, 0.0]
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cluster_size: [2, 2, 2]
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c_alpha: 2.0
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output: [M, Delta_V, avg_dot_a, max_dot_a]
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cluster_size: [2, 2, 2]
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xi_alpha: 10.0
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output: [M, Delta_V, avg_dot_a, max_dot_a]
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xi_alpha: 10.0
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@ -1,3 +0,0 @@
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Taylor2:
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N_constituents: 2
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mechanical: {type: isostrain}
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@ -0,0 +1,3 @@
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# For Taylor homogenization with N_constituents > 1
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type: isostrain
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output: ['F', 'P']
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@ -0,0 +1,3 @@
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# For single point calculations, requires N_constituents = 1
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type: pass
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output: ['F', 'P']
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@ -0,0 +1,3 @@
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# For homogenization with N_constituents > 1
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type: isotemperature
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output: ['T']
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@ -0,0 +1,3 @@
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# For single point calculations, requires N_constituents = 1
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type: pass
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||||||
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output: ['T']
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@ -5,6 +5,8 @@ references:
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fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
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fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
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||||||
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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||||||
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||||||
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output: [T]
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||||||
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K_11: 2.380e+2
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K_11: 2.380e+2
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K_11,T: 2.068e-3
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K_11,T: 2.068e-3
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K_11,T^2: -7.765e-5
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K_11,T^2: -7.765e-5
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@ -5,6 +5,8 @@ references:
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fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
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fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
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||||||
- https://www.mit.edu/~6.777/matprops/copper.htm
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- https://www.mit.edu/~6.777/matprops/copper.htm
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output: [T]
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||||||
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K_11: 4.039e+2
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K_11: 4.039e+2
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K_11,T: -8.119e-2
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K_11,T: -8.119e-2
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K_11,T^2: 1.454e-5
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K_11,T^2: 1.454e-5
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|
|
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@ -5,6 +5,8 @@ references:
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fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
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fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
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||||||
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
|
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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output: [T]
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||||||
|
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K_11: 8.055e+1
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K_11: 8.055e+1
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K_11,T: -1.051e-1
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K_11,T: -1.051e-1
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K_11,T^2: 5.464e-5
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K_11,T^2: 5.464e-5
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@ -5,6 +5,8 @@ references:
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fit to Tab. 35R (T_min=150K, T_max=500K)
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fit to Tab. 35R (T_min=150K, T_max=500K)
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||||||
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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output: [T]
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||||||
|
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K_11: 9.132e+1
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K_11: 9.132e+1
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K_11,T: -1.525e-1
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K_11,T: -1.525e-1
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K_11,T^2: 3.053e-4
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K_11,T^2: 3.053e-4
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@ -5,6 +5,8 @@ references:
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fit to Tab. 61R (T_min=100K, T_max=400K)
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fit to Tab. 61R (T_min=100K, T_max=400K)
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||||||
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
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output: [T]
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||||||
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K_11: 7.414e+1
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K_11: 7.414e+1
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K_11,T: -6.465e-2
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K_11,T: -6.465e-2
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K_11,T^2: 2.066e-4
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K_11,T^2: 2.066e-4
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@ -5,6 +5,8 @@ references:
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fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
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fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
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||||||
- https://www.mit.edu/~6.777/matprops/tungsten.htm
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- https://www.mit.edu/~6.777/matprops/tungsten.htm
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||||||
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output: [T]
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||||||
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K_11: 1.758e+2
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K_11: 1.758e+2
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||||||
K_11,T: -1.605e-1
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K_11,T: -1.605e-1
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K_11,T^2: 1.160e-4
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K_11,T^2: 1.160e-4
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@ -6,9 +6,10 @@
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||||||
!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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module homogenization
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module homogenization
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use prec
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use prec
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use math
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use constants
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use IO
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use IO
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use config
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use config
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use math
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use material
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use material
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use phase
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use phase
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use discretization
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use discretization
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@ -66,15 +67,13 @@ module homogenization
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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interface
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interface
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module subroutine mechanical_init(num_homog)
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module subroutine mechanical_init()
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class(tNode), pointer, intent(in) :: &
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num_homog !< pointer to mechanical homogenization numerics data
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end subroutine mechanical_init
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end subroutine mechanical_init
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module subroutine thermal_init
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module subroutine thermal_init()
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end subroutine thermal_init
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end subroutine thermal_init
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module subroutine damage_init
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module subroutine damage_init()
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end subroutine damage_init
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end subroutine damage_init
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module subroutine mechanical_partition(subF,ce)
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module subroutine mechanical_partition(subF,ce)
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@ -204,7 +203,7 @@ subroutine homogenization_init()
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allocate(homogState (size(material_name_homogenization)))
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allocate(homogState (size(material_name_homogenization)))
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allocate(damageState_h (size(material_name_homogenization)))
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allocate(damageState_h (size(material_name_homogenization)))
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call material_parseHomogenization()
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call parseHomogenization()
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num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
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num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
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num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
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num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
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@ -212,7 +211,7 @@ subroutine homogenization_init()
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num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10)
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num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10)
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if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
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if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
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call mechanical_init(num_homog)
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call mechanical_init()
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call thermal_init()
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call thermal_init()
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call damage_init()
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call damage_init()
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@ -326,10 +325,10 @@ subroutine homogenization_mechanical_response2(Delta_t,FEsolving_execIP,FEsolvin
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ho = material_homogenizationID(ce)
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ho = material_homogenizationID(ce)
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do co = 1, homogenization_Nconstituents(ho)
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do co = 1, homogenization_Nconstituents(ho)
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call crystallite_orientations(co,ip,el)
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call crystallite_orientations(co,ip,el)
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enddo
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end do
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call mechanical_homogenize(Delta_t,ce)
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call mechanical_homogenize(Delta_t,ce)
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enddo IpLooping3
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end do IpLooping3
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enddo elementLooping3
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end do elementLooping3
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!$OMP END PARALLEL DO
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!$OMP END PARALLEL DO
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@ -447,7 +446,7 @@ end subroutine homogenization_restartRead
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief parses the homogenization part from the material configuration
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!> @brief parses the homogenization part from the material configuration
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine material_parseHomogenization
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subroutine parseHomogenization
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class(tNode), pointer :: &
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class(tNode), pointer :: &
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material_homogenization, &
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material_homogenization, &
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@ -459,8 +458,8 @@ subroutine material_parseHomogenization
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material_homogenization => config_material%get('homogenization')
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material_homogenization => config_material%get('homogenization')
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allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
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allocate(thermal_type(size(material_name_homogenization)),source=THERMAL_isothermal_ID)
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allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
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allocate(damage_type (size(material_name_homogenization)),source=DAMAGE_none_ID)
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do h=1, size(material_name_homogenization)
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do h=1, size(material_name_homogenization)
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homog => material_homogenization%get(h)
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homog => material_homogenization%get(h)
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@ -468,7 +467,7 @@ subroutine material_parseHomogenization
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if (homog%contains('thermal')) then
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if (homog%contains('thermal')) then
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homogThermal => homog%get('thermal')
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homogThermal => homog%get('thermal')
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select case (homogThermal%get_asString('type'))
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select case (homogThermal%get_asString('type'))
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case('pass')
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case('pass','isotemperature')
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thermal_type(h) = THERMAL_conduction_ID
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thermal_type(h) = THERMAL_conduction_ID
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case default
|
case default
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call IO_error(500,ext_msg=homogThermal%get_asString('type'))
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call IO_error(500,ext_msg=homogThermal%get_asString('type'))
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@ -486,7 +485,7 @@ subroutine material_parseHomogenization
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endif
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endif
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enddo
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enddo
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end subroutine material_parseHomogenization
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end subroutine parseHomogenization
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end module homogenization
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end module homogenization
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@ -7,15 +7,13 @@ submodule(homogenization) mechanical
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interface
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interface
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||||||
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module subroutine pass_init
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module subroutine pass_init()
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end subroutine pass_init
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end subroutine pass_init
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|
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module subroutine isostrain_init
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module subroutine isostrain_init()
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end subroutine isostrain_init
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end subroutine isostrain_init
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||||||
|
|
||||||
module subroutine RGC_init(num_homogMech)
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module subroutine RGC_init()
|
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class(tNode), pointer, intent(in) :: &
|
|
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num_homogMech !< pointer to mechanical homogenization numerics data
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|
||||||
end subroutine RGC_init
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end subroutine RGC_init
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|
|
||||||
|
|
||||||
|
@ -52,6 +50,12 @@ submodule(homogenization) mechanical
|
||||||
|
|
||||||
end interface
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end interface
|
||||||
|
|
||||||
|
type :: tOutput !< requested output (per phase)
|
||||||
|
character(len=pStringLen), allocatable, dimension(:) :: &
|
||||||
|
label
|
||||||
|
end type tOutput
|
||||||
|
type(tOutput), allocatable, dimension(:) :: output_mechanical
|
||||||
|
|
||||||
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable :: &
|
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable :: &
|
||||||
homogenization_type !< type of each homogenization
|
homogenization_type !< type of each homogenization
|
||||||
|
|
||||||
|
@ -60,27 +64,20 @@ contains
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Allocate variables and set parameters.
|
!> @brief Allocate variables and set parameters.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module subroutine mechanical_init(num_homog)
|
module subroutine mechanical_init()
|
||||||
|
|
||||||
class(tNode), pointer, intent(in) :: &
|
|
||||||
num_homog
|
|
||||||
|
|
||||||
class(tNode), pointer :: &
|
|
||||||
num_homogMech
|
|
||||||
|
|
||||||
print'(/,1x,a)', '<<<+- homogenization:mechanical init -+>>>'
|
print'(/,1x,a)', '<<<+- homogenization:mechanical init -+>>>'
|
||||||
|
|
||||||
call material_parseHomogenization2()
|
call parseMechanical()
|
||||||
|
|
||||||
allocate(homogenization_dPdF(3,3,3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal)
|
allocate(homogenization_dPdF(3,3,3,3,discretization_Ncells), source=0.0_pReal)
|
||||||
homogenization_F0 = spread(math_I3,3,discretization_nIPs*discretization_Nelems) ! initialize to identity
|
homogenization_F0 = spread(math_I3,3,discretization_Ncells)
|
||||||
homogenization_F = homogenization_F0 ! initialize to identity
|
homogenization_F = homogenization_F0
|
||||||
allocate(homogenization_P(3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal)
|
allocate(homogenization_P(3,3,discretization_Ncells),source=0.0_pReal)
|
||||||
|
|
||||||
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
|
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call pass_init()
|
||||||
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call pass_init
|
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call isostrain_init()
|
||||||
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call isostrain_init
|
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call RGC_init()
|
||||||
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call RGC_init(num_homogMech)
|
|
||||||
|
|
||||||
end subroutine mechanical_init
|
end subroutine mechanical_init
|
||||||
|
|
||||||
|
@ -185,8 +182,10 @@ module subroutine mechanical_results(group_base,ho)
|
||||||
character(len=*), intent(in) :: group_base
|
character(len=*), intent(in) :: group_base
|
||||||
integer, intent(in) :: ho
|
integer, intent(in) :: ho
|
||||||
|
|
||||||
|
integer :: ou
|
||||||
character(len=:), allocatable :: group
|
character(len=:), allocatable :: group
|
||||||
|
|
||||||
|
|
||||||
group = trim(group_base)//'/mechanical'
|
group = trim(group_base)//'/mechanical'
|
||||||
call results_closeGroup(results_addGroup(group))
|
call results_closeGroup(results_addGroup(group))
|
||||||
|
|
||||||
|
@ -197,12 +196,17 @@ module subroutine mechanical_results(group_base,ho)
|
||||||
|
|
||||||
end select
|
end select
|
||||||
|
|
||||||
!temp = reshape(homogenization_F,[3,3,discretization_nIPs*discretization_Nelems])
|
do ou = 1, size(output_mechanical(1)%label)
|
||||||
!call results_writeDataset(group,temp,'F',&
|
|
||||||
! 'deformation gradient','1')
|
select case (output_mechanical(ho)%label(ou))
|
||||||
!temp = reshape(homogenization_P,[3,3,discretization_nIPs*discretization_Nelems])
|
case('F')
|
||||||
!call results_writeDataset(group,temp,'P',&
|
call results_writeDataset(reshape(homogenization_F,[3,3,discretization_nCells]),group,'F', &
|
||||||
! '1st Piola-Kirchhoff stress','Pa')
|
'deformation gradient','1')
|
||||||
|
case('P')
|
||||||
|
call results_writeDataset(reshape(homogenization_P,[3,3,discretization_nCells]),group,'P', &
|
||||||
|
'deformation gradient','1')
|
||||||
|
end select
|
||||||
|
end do
|
||||||
|
|
||||||
end subroutine mechanical_results
|
end subroutine mechanical_results
|
||||||
|
|
||||||
|
@ -210,35 +214,42 @@ end subroutine mechanical_results
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief parses the homogenization part from the material configuration
|
!> @brief parses the homogenization part from the material configuration
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine material_parseHomogenization2()
|
subroutine parseMechanical()
|
||||||
|
|
||||||
class(tNode), pointer :: &
|
class(tNode), pointer :: &
|
||||||
material_homogenization, &
|
material_homogenization, &
|
||||||
homog, &
|
homog, &
|
||||||
homogMech
|
mechanical
|
||||||
|
|
||||||
|
integer :: ho
|
||||||
|
|
||||||
integer :: h
|
|
||||||
|
|
||||||
material_homogenization => config_material%get('homogenization')
|
material_homogenization => config_material%get('homogenization')
|
||||||
|
|
||||||
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
|
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
|
||||||
|
allocate(output_mechanical(size(material_name_homogenization)))
|
||||||
|
|
||||||
do h=1, size(material_name_homogenization)
|
do ho=1, size(material_name_homogenization)
|
||||||
homog => material_homogenization%get(h)
|
homog => material_homogenization%get(ho)
|
||||||
homogMech => homog%get('mechanical')
|
mechanical => homog%get('mechanical')
|
||||||
select case (homogMech%get_asString('type'))
|
#if defined(__GFORTRAN__)
|
||||||
|
output_mechanical(ho)%label = output_as1dString(mechanical)
|
||||||
|
#else
|
||||||
|
output_mechanical(ho)%label = mechanical%get_as1dString('output',defaultVal=emptyStringArray)
|
||||||
|
#endif
|
||||||
|
select case (mechanical%get_asString('type'))
|
||||||
case('pass')
|
case('pass')
|
||||||
homogenization_type(h) = HOMOGENIZATION_NONE_ID
|
homogenization_type(ho) = HOMOGENIZATION_NONE_ID
|
||||||
case('isostrain')
|
case('isostrain')
|
||||||
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
|
homogenization_type(ho) = HOMOGENIZATION_ISOSTRAIN_ID
|
||||||
case('RGC')
|
case('RGC')
|
||||||
homogenization_type(h) = HOMOGENIZATION_RGC_ID
|
homogenization_type(ho) = HOMOGENIZATION_RGC_ID
|
||||||
case default
|
case default
|
||||||
call IO_error(500,ext_msg=homogMech%get_asString('type'))
|
call IO_error(500,ext_msg=mechanical%get_asString('type'))
|
||||||
end select
|
end select
|
||||||
end do
|
end do
|
||||||
|
|
||||||
end subroutine material_parseHomogenization2
|
end subroutine parseMechanical
|
||||||
|
|
||||||
|
|
||||||
end submodule mechanical
|
end submodule mechanical
|
||||||
|
|
|
@ -71,10 +71,7 @@ contains
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief allocates all necessary fields, reads information from material configuration file
|
!> @brief allocates all necessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module subroutine RGC_init(num_homogMech)
|
module subroutine RGC_init()
|
||||||
|
|
||||||
class(tNode), pointer, intent(in) :: &
|
|
||||||
num_homogMech !< pointer to mechanical homogenization numerics data
|
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
ho, &
|
ho, &
|
||||||
|
@ -82,6 +79,8 @@ module subroutine RGC_init(num_homogMech)
|
||||||
sizeState, nIntFaceTot
|
sizeState, nIntFaceTot
|
||||||
|
|
||||||
class (tNode), pointer :: &
|
class (tNode), pointer :: &
|
||||||
|
num_homogenization, &
|
||||||
|
num_mechanical, &
|
||||||
num_RGC, & ! pointer to RGC numerics data
|
num_RGC, & ! pointer to RGC numerics data
|
||||||
material_homogenization, &
|
material_homogenization, &
|
||||||
homog, &
|
homog, &
|
||||||
|
@ -105,7 +104,9 @@ module subroutine RGC_init(num_homogMech)
|
||||||
allocate(state0(material_homogenization%length))
|
allocate(state0(material_homogenization%length))
|
||||||
allocate(dependentState(material_homogenization%length))
|
allocate(dependentState(material_homogenization%length))
|
||||||
|
|
||||||
num_RGC => num_homogMech%get('RGC',defaultVal=emptyDict)
|
num_homogenization => config_numerics%get('homogenization',defaultVal=emptyDict)
|
||||||
|
num_mechanical => num_homogenization%get('mechanical',defaultVal=emptyDict)
|
||||||
|
num_RGC => num_mechanical%get('RGC',defaultVal=emptyDict)
|
||||||
|
|
||||||
num%atol = num_RGC%get_asFloat('atol', defaultVal=1.0e+4_pReal)
|
num%atol = num_RGC%get_asFloat('atol', defaultVal=1.0e+4_pReal)
|
||||||
num%rtol = num_RGC%get_asFloat('rtol', defaultVal=1.0e-3_pReal)
|
num%rtol = num_RGC%get_asFloat('rtol', defaultVal=1.0e-3_pReal)
|
||||||
|
|
|
@ -52,10 +52,11 @@ module subroutine thermal_init()
|
||||||
allocate(current(configHomogenizations%length))
|
allocate(current(configHomogenizations%length))
|
||||||
|
|
||||||
do ho = 1, configHomogenizations%length
|
do ho = 1, configHomogenizations%length
|
||||||
allocate(current(ho)%T(count(material_homogenizationID==ho)), source=300.0_pReal)
|
allocate(current(ho)%T(count(material_homogenizationID==ho)), source=T_ROOM)
|
||||||
allocate(current(ho)%dot_T(count(material_homogenizationID==ho)), source=0.0_pReal)
|
allocate(current(ho)%dot_T(count(material_homogenizationID==ho)), source=0.0_pReal)
|
||||||
configHomogenization => configHomogenizations%get(ho)
|
configHomogenization => configHomogenizations%get(ho)
|
||||||
associate(prm => param(ho))
|
associate(prm => param(ho))
|
||||||
|
|
||||||
if (configHomogenization%contains('thermal')) then
|
if (configHomogenization%contains('thermal')) then
|
||||||
configHomogenizationThermal => configHomogenization%get('thermal')
|
configHomogenizationThermal => configHomogenization%get('thermal')
|
||||||
#if defined (__GFORTRAN__)
|
#if defined (__GFORTRAN__)
|
||||||
|
@ -63,13 +64,22 @@ module subroutine thermal_init()
|
||||||
#else
|
#else
|
||||||
prm%output = configHomogenizationThermal%get_as1dString('output',defaultVal=emptyStringArray)
|
prm%output = configHomogenizationThermal%get_as1dString('output',defaultVal=emptyStringArray)
|
||||||
#endif
|
#endif
|
||||||
|
select case (configHomogenizationThermal%get_asString('type'))
|
||||||
|
|
||||||
|
case ('pass')
|
||||||
|
call pass_init()
|
||||||
|
|
||||||
|
case ('isothermal')
|
||||||
|
call isotemperature_init()
|
||||||
|
|
||||||
|
end select
|
||||||
else
|
else
|
||||||
prm%output = emptyStringArray
|
prm%output = emptyStringArray
|
||||||
end if
|
end if
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
end do
|
end do
|
||||||
|
|
||||||
call pass_init()
|
|
||||||
|
|
||||||
end subroutine thermal_init
|
end subroutine thermal_init
|
||||||
|
|
||||||
|
|
|
@ -1,13 +1,14 @@
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @author Martin Diehl, KU Leuven
|
!> @author Martin Diehl, KU Leuven
|
||||||
!> @brief Dummy homogenization scheme for 1 constituent per material point
|
!> @brief Isotemperature homogenization
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
submodule(homogenization:thermal) isotemperature
|
submodule(homogenization:thermal) isotemperature
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
module subroutine isotemperature_init
|
module subroutine isotemperature_init()
|
||||||
|
|
||||||
|
print'(/,1x,a)', '<<<+- homogenization:thermal:isotemperature init -+>>>'
|
||||||
|
|
||||||
end subroutine isotemperature_init
|
end subroutine isotemperature_init
|
||||||
|
|
||||||
|
|
|
@ -10,6 +10,9 @@ module subroutine pass_init()
|
||||||
|
|
||||||
print'(/,1x,a)', '<<<+- homogenization:thermal:pass init -+>>>'
|
print'(/,1x,a)', '<<<+- homogenization:thermal:pass init -+>>>'
|
||||||
|
|
||||||
|
if (homogenization_Nconstituents(1) /= 1) &
|
||||||
|
call IO_error(211,ext_msg='N_constituents (pass)')
|
||||||
|
|
||||||
end subroutine pass_init
|
end subroutine pass_init
|
||||||
|
|
||||||
end submodule thermal_pass
|
end submodule thermal_pass
|
||||||
|
|
|
@ -91,6 +91,11 @@ module phase
|
||||||
integer, intent(in) :: ph
|
integer, intent(in) :: ph
|
||||||
end subroutine damage_results
|
end subroutine damage_results
|
||||||
|
|
||||||
|
module subroutine thermal_results(group,ph)
|
||||||
|
character(len=*), intent(in) :: group
|
||||||
|
integer, intent(in) :: ph
|
||||||
|
end subroutine thermal_results
|
||||||
|
|
||||||
module subroutine mechanical_forward()
|
module subroutine mechanical_forward()
|
||||||
end subroutine mechanical_forward
|
end subroutine mechanical_forward
|
||||||
|
|
||||||
|
@ -487,6 +492,7 @@ subroutine phase_results()
|
||||||
|
|
||||||
call mechanical_results(group,ph)
|
call mechanical_results(group,ph)
|
||||||
call damage_results(group,ph)
|
call damage_results(group,ph)
|
||||||
|
call thermal_results(group,ph)
|
||||||
|
|
||||||
end do
|
end do
|
||||||
|
|
||||||
|
|
|
@ -336,7 +336,7 @@ end subroutine damage_results
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
|
!> @brief Constitutive equation for calculating the rate of change of microstructure.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function phase_damage_collectDotState(ph,en) result(broken)
|
function phase_damage_collectDotState(ph,en) result(broken)
|
||||||
|
|
||||||
|
|
|
@ -180,11 +180,12 @@ submodule(phase) mechanical
|
||||||
end function elastic_nu
|
end function elastic_nu
|
||||||
|
|
||||||
end interface
|
end interface
|
||||||
type :: tOutput !< new requested output (per phase)
|
|
||||||
|
type :: tOutput !< requested output (per phase)
|
||||||
character(len=pStringLen), allocatable, dimension(:) :: &
|
character(len=pStringLen), allocatable, dimension(:) :: &
|
||||||
label
|
label
|
||||||
end type tOutput
|
end type tOutput
|
||||||
type(tOutput), allocatable, dimension(:) :: output_constituent
|
type(tOutput), allocatable, dimension(:) :: output_mechanical
|
||||||
|
|
||||||
procedure(integrateStateFPI), pointer :: integrateState
|
procedure(integrateStateFPI), pointer :: integrateState
|
||||||
|
|
||||||
|
@ -216,7 +217,7 @@ module subroutine mechanical_init(phases)
|
||||||
print'(/,1x,a)', '<<<+- phase:mechanical init -+>>>'
|
print'(/,1x,a)', '<<<+- phase:mechanical init -+>>>'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
allocate(output_constituent(phases%length))
|
allocate(output_mechanical(phases%length))
|
||||||
|
|
||||||
allocate(phase_mechanical_Fe(phases%length))
|
allocate(phase_mechanical_Fe(phases%length))
|
||||||
allocate(phase_mechanical_Fi(phases%length))
|
allocate(phase_mechanical_Fi(phases%length))
|
||||||
|
@ -254,9 +255,9 @@ module subroutine mechanical_init(phases)
|
||||||
phase => phases%get(ph)
|
phase => phases%get(ph)
|
||||||
mech => phase%get('mechanical')
|
mech => phase%get('mechanical')
|
||||||
#if defined(__GFORTRAN__)
|
#if defined(__GFORTRAN__)
|
||||||
output_constituent(ph)%label = output_as1dString(mech)
|
output_mechanical(ph)%label = output_as1dString(mech)
|
||||||
#else
|
#else
|
||||||
output_constituent(ph)%label = mech%get_as1dString('output',defaultVal=emptyStringArray)
|
output_mechanical(ph)%label = mech%get_as1dString('output',defaultVal=emptyStringArray)
|
||||||
#endif
|
#endif
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
@ -330,7 +331,7 @@ module subroutine mechanical_results(group,ph)
|
||||||
integer, intent(in) :: ph
|
integer, intent(in) :: ph
|
||||||
|
|
||||||
|
|
||||||
call crystallite_results(group,ph)
|
call results(group,ph)
|
||||||
|
|
||||||
select case(phase_plasticity(ph))
|
select case(phase_plasticity(ph))
|
||||||
|
|
||||||
|
@ -879,9 +880,9 @@ end function integrateStateRK
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief writes crystallite results to HDF5 output file
|
!> @brief Write mechanical results to HDF5 output file.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine crystallite_results(group,ph)
|
subroutine results(group,ph)
|
||||||
|
|
||||||
character(len=*), intent(in) :: group
|
character(len=*), intent(in) :: group
|
||||||
integer, intent(in) :: ph
|
integer, intent(in) :: ph
|
||||||
|
@ -891,9 +892,9 @@ subroutine crystallite_results(group,ph)
|
||||||
|
|
||||||
call results_closeGroup(results_addGroup(group//'/mechanical'))
|
call results_closeGroup(results_addGroup(group//'/mechanical'))
|
||||||
|
|
||||||
do ou = 1, size(output_constituent(ph)%label)
|
do ou = 1, size(output_mechanical(ph)%label)
|
||||||
|
|
||||||
select case (output_constituent(ph)%label(ou))
|
select case (output_mechanical(ph)%label(ou))
|
||||||
case('F')
|
case('F')
|
||||||
call results_writeDataset(phase_mechanical_F(ph)%data,group//'/mechanical/','F',&
|
call results_writeDataset(phase_mechanical_F(ph)%data,group//'/mechanical/','F',&
|
||||||
'deformation gradient','1')
|
'deformation gradient','1')
|
||||||
|
@ -919,13 +920,13 @@ subroutine crystallite_results(group,ph)
|
||||||
call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', &
|
call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', &
|
||||||
'second Piola-Kirchhoff stress','Pa')
|
'second Piola-Kirchhoff stress','Pa')
|
||||||
case('O')
|
case('O')
|
||||||
call results_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical',output_constituent(ph)%label(ou),&
|
call results_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical',output_mechanical(ph)%label(ou),&
|
||||||
'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)')
|
'crystal orientation as quaternion','q_0 (q_1 q_2 q_3)')
|
||||||
call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/'//output_constituent(ph)%label(ou))
|
call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/'//output_mechanical(ph)%label(ou))
|
||||||
if (any(phase_lattice(ph) == ['hP', 'tI'])) &
|
if (any(phase_lattice(ph) == ['hP', 'tI'])) &
|
||||||
call results_addAttribute('c/a',phase_cOverA(ph),group//'/mechanical/'//output_constituent(ph)%label(ou))
|
call results_addAttribute('c/a',phase_cOverA(ph),group//'/mechanical/'//output_mechanical(ph)%label(ou))
|
||||||
end select
|
end select
|
||||||
enddo
|
end do
|
||||||
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
@ -947,7 +948,7 @@ subroutine crystallite_results(group,ph)
|
||||||
|
|
||||||
end function to_quaternion
|
end function to_quaternion
|
||||||
|
|
||||||
end subroutine crystallite_results
|
end subroutine results
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
@ -1335,5 +1336,4 @@ module subroutine phase_set_F(F,co,ce)
|
||||||
|
|
||||||
end subroutine phase_set_F
|
end subroutine phase_set_F
|
||||||
|
|
||||||
|
|
||||||
end submodule mechanical
|
end submodule mechanical
|
||||||
|
|
|
@ -6,6 +6,7 @@ submodule(phase) thermal
|
||||||
type :: tThermalParameters
|
type :: tThermalParameters
|
||||||
real(pReal) :: C_p = 0.0_pReal !< heat capacity
|
real(pReal) :: C_p = 0.0_pReal !< heat capacity
|
||||||
real(pReal), dimension(3,3) :: K = 0.0_pReal !< thermal conductivity
|
real(pReal), dimension(3,3) :: K = 0.0_pReal !< thermal conductivity
|
||||||
|
character(len=pStringLen), allocatable, dimension(:) :: output
|
||||||
end type tThermalParameters
|
end type tThermalParameters
|
||||||
|
|
||||||
integer, dimension(:), allocatable :: &
|
integer, dimension(:), allocatable :: &
|
||||||
|
@ -108,6 +109,11 @@ module subroutine thermal_init(phases)
|
||||||
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asFloat('K_33')
|
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asFloat('K_33')
|
||||||
param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph))
|
param(ph)%K = lattice_symmetrize_33(param(ph)%K,phase_lattice(ph))
|
||||||
|
|
||||||
|
#if defined(__GFORTRAN__)
|
||||||
|
param(ph)%output = output_as1dString(thermal)
|
||||||
|
#else
|
||||||
|
param(ph)%output = thermal%get_as1dString('output',defaultVal=emptyStringArray)
|
||||||
|
#endif
|
||||||
sources => thermal%get('source',defaultVal=emptyList)
|
sources => thermal%get('source',defaultVal=emptyList)
|
||||||
thermal_Nsources(ph) = sources%length
|
thermal_Nsources(ph) = sources%length
|
||||||
else
|
else
|
||||||
|
@ -381,4 +387,35 @@ function thermal_active(source_label,src_length) result(active_source)
|
||||||
end function thermal_active
|
end function thermal_active
|
||||||
|
|
||||||
|
|
||||||
|
!----------------------------------------------------------------------------------------------
|
||||||
|
!< @brief writes damage sources results to HDF5 output file
|
||||||
|
!----------------------------------------------------------------------------------------------
|
||||||
|
module subroutine thermal_results(group,ph)
|
||||||
|
|
||||||
|
character(len=*), intent(in) :: group
|
||||||
|
integer, intent(in) :: ph
|
||||||
|
|
||||||
|
|
||||||
|
integer :: ou
|
||||||
|
|
||||||
|
if (allocated(param(ph)%output)) then
|
||||||
|
call results_closeGroup(results_addGroup(group//'thermal'))
|
||||||
|
else
|
||||||
|
return
|
||||||
|
endif
|
||||||
|
|
||||||
|
do ou = 1, size(param(ph)%output)
|
||||||
|
|
||||||
|
select case(trim(param(ph)%output(ou)))
|
||||||
|
|
||||||
|
case ('T')
|
||||||
|
call results_writeDataset(current(ph)%T,group//'thermal','T', 'temperature','T')
|
||||||
|
|
||||||
|
end select
|
||||||
|
|
||||||
|
end do
|
||||||
|
|
||||||
|
end subroutine thermal_results
|
||||||
|
|
||||||
|
|
||||||
end submodule thermal
|
end submodule thermal
|
||||||
|
|
Loading…
Reference in New Issue