Merge remote-tracking branch 'origin/development' into rotate-Voigt
This commit is contained in:
Martin Diehl
commit
1fbeabc949
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 76bb51348de75207d483d369628670e5ae51dca9
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Subproject commit bc6de828cc4ee9c941b37113ca49fcf51abd3512
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@ -6,12 +6,12 @@ references:
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output: [xi_sl, xi_tw]
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N_sl: [3, 3, 0, 6, 0, 6] # basal, 1. prism, -, 1. pyr<a>, -, 2. pyr<c+a>
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N_tw: [6, 0, 6] # tension, -, compression
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N_sl: [3, 3, 0, 6, 0, 6] # basal, prism, -, 1. pyr<a>, -, 2. pyr<c+a>
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N_tw: [6, 0, 6] # tension, -, compression
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xi_0_sl: [10.e+6, 55.e+6, 0., 60.e+6, 0., 60.e+6]
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xi_0_sl: [10.e+6, 55.e+6, 0., 60.e+6, 0., 60.e+6]
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xi_inf_sl: [40.e+6, 135.e+6, 0., 150.e+6, 0., 150.e+6]
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xi_0_tw: [40.e+6, 0., 60.e+6]
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xi_0_tw: [40.e+6, 0., 60.e+6]
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a_sl: 2.25
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dot_gamma_0_sl: 0.001
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@ -21,9 +21,18 @@ n_tw: 20
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f_sat_sl-tw: 10.0
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h_0_sl-sl: 500.0e+6
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h_0_tw-tw: 50.0e+6
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h_0_tw-tw: 50.0e+6
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h_0_tw-sl: 150.0e+6
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h_sl-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
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h_tw-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
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h_tw-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
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h_sl-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
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h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, -1.0, -1.0, -1.0, -1.0,
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-1.0, -1.0, 1.0, 1.0, -1.0, 1.0, 1.0, -1.0, 1.0, 1.0,
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-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
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+1.0, 1.0, -1.0, 1.0, -1.0, 1.0, 1.0, -1.0, 1.0, -1.0,
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+1.0, 1.0] # unused entries are indicated by -1.0
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h_tw-tw: [+1.0, 1.0, -1.0, -1.0, -1.0, -1.0, 1.0, -1.0, 1.0, 1.0,
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-1.0, 1.0] # unused entries are indicated by -1.0
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h_tw-sl: [+1.0, -1.0, 1.0, -1.0, 1.0, -1.0, 1.0, -1.0, -1.0, -1.0,
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-1.0, -1.0, 1.0, -1.0, 1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
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+1.0, -1.0, 1.0, -1.0] # unused entries are indicated by -1.0
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h_sl-tw: [+1.0, -1.0, 1.0, -1.0, 1.0, -1.0, 1.0, -1.0, -1.0, -1.0,
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-1.0, -1.0, 1.0, -1.0, 1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
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+1.0, -1.0, 1.0] # unused entries are indicated by -1.0
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@ -8,7 +8,7 @@ references:
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https://doi.org/10.1016/j.actamat.2017.05.015
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output: [gamma_sl]
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N_sl: [3, 3, 0, 0, 12] # basal, 1. prism, -, -, 2. pyr<c+a>
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N_sl: [3, 3, 0, 0, 12] # basal, 1. prism, -, -, 1. pyr<c+a>
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n_sl: 20
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a_sl: 2.0
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dot_gamma_0_sl: 0.001
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@ -20,4 +20,6 @@ xi_inf_sl: [568.e+6, 150.e+7, 0.0, 0.0, 3420.e+6]
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# L. Wang et al. :
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# xi_0_sl: [127.e+6, 96.e+6, 0.0, 0.0, 240.e+6]
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h_sl-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]
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h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, -1.0, -1.0, -1.0, -1.0,
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-1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0,
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+1.0, 1.0, -1.0, -1.0, 1.0, 1.0, -1.0, -1.0, 1.0, 1.0] # unused entries are indicated by -1.0
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@ -1 +1 @@
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v3.0.0-alpha5-135-ga3f74994b
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v3.0.0-alpha5-191-gf32a78861
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@ -2,6 +2,8 @@ import os
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import json
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import functools
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import colorsys
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from pathlib import Path
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from typing import Sequence, Union, TextIO
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import numpy as np
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import matplotlib as mpl
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@ -14,9 +16,9 @@ from PIL import Image
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from . import util
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from . import Table
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_eps = 216./24389.
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_kappa = 24389./27.
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_ref_white = np.array([.95047, 1.00000, 1.08883]) # Observer = 2, Illuminant = D65
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_EPS = 216./24389.
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_KAPPA = 24389./27.
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_REF_WHITE = np.array([.95047, 1.00000, 1.08883]) # Observer = 2, Illuminant = D65
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# ToDo (if needed)
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# - support alpha channel (paraview/ASCII/input)
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@ -39,20 +41,20 @@ class Colormap(mpl.colors.ListedColormap):
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"""
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def __add__(self,other):
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def __add__(self, other: "Colormap") -> "Colormap":
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"""Concatenate."""
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return Colormap(np.vstack((self.colors,other.colors)),
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f'{self.name}+{other.name}')
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def __iadd__(self,other):
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def __iadd__(self, other: "Colormap") -> "Colormap":
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"""Concatenate (in-place)."""
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return self.__add__(other)
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def __invert__(self):
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def __invert__(self) -> "Colormap":
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"""Reverse."""
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return self.reversed()
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def __repr__(self):
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def __repr__(self) -> str:
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"""Show as matplotlib figure."""
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fig = plt.figure(self.name,figsize=(5,.5))
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ax1 = fig.add_axes([0, 0, 1, 1])
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@ -64,7 +66,11 @@ class Colormap(mpl.colors.ListedColormap):
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@staticmethod
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def from_range(low,high,name='DAMASK colormap',N=256,model='rgb'):
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def from_range(low: Sequence[float],
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high: Sequence[float],
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name: str = 'DAMASK colormap',
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N: int = 256,
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model: str = 'rgb') -> "Colormap":
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"""
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Create a perceptually uniform colormap between given (inclusive) bounds.
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@ -145,7 +151,7 @@ class Colormap(mpl.colors.ListedColormap):
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@staticmethod
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def from_predefined(name,N=256):
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def from_predefined(name: str, N: int = 256) -> "Colormap":
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"""
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Select from a set of predefined colormaps.
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@ -185,7 +191,10 @@ class Colormap(mpl.colors.ListedColormap):
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return Colormap.from_range(definition['low'],definition['high'],name,N)
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def shade(self,field,bounds=None,gap=None):
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def shade(self,
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field: np.ndarray,
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bounds: Sequence[float] = None,
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gap: float = None) -> Image:
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"""
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Generate PIL image of 2D field using colormap.
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@ -226,7 +235,7 @@ class Colormap(mpl.colors.ListedColormap):
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mode='RGBA')
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def reversed(self,name=None):
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def reversed(self, name: str = None) -> "Colormap":
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"""
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Reverse.
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@ -251,7 +260,7 @@ class Colormap(mpl.colors.ListedColormap):
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return Colormap(np.array(rev.colors),rev.name[:-4] if rev.name.endswith('_r_r') else rev.name)
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def _get_file_handle(self,fname,extension):
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def _get_file_handle(self, fname: Union[TextIO, str, Path, None], suffix: str) -> TextIO:
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"""
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Provide file handle.
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@ -259,8 +268,7 @@ class Colormap(mpl.colors.ListedColormap):
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----------
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fname : file, str, pathlib.Path, or None
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Filename or filehandle, will be name of the colormap+extension if None.
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extension: str
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suffix: str
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Extension of the filename.
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Returns
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@ -270,17 +278,14 @@ class Colormap(mpl.colors.ListedColormap):
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"""
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if fname is None:
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fhandle = open(self.name.replace(' ','_')+'.'+extension,'w',newline='\n')
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return open(self.name.replace(' ','_')+suffix, 'w', newline='\n')
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elif isinstance(fname, (str, Path)):
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return open(fname, 'w', newline='\n')
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else:
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try:
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fhandle = open(fname,'w',newline='\n')
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except TypeError:
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fhandle = fname
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return fhandle
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return fname
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def save_paraview(self,fname=None):
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def save_paraview(self, fname: Union[TextIO, str, Path] = None):
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"""
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Save as JSON file for use in Paraview.
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@ -303,10 +308,10 @@ class Colormap(mpl.colors.ListedColormap):
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'RGBPoints':colors
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}]
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json.dump(out,self._get_file_handle(fname,'json'),indent=4)
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json.dump(out,self._get_file_handle(fname,'.json'),indent=4)
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def save_ASCII(self,fname=None):
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def save_ASCII(self, fname: Union[TextIO, str, Path] = None):
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"""
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Save as ASCII file.
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@ -319,10 +324,10 @@ class Colormap(mpl.colors.ListedColormap):
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"""
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labels = {'RGBA':4} if self.colors.shape[1] == 4 else {'RGB': 3}
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t = Table(self.colors,labels,f'Creator: {util.execution_stamp("Colormap")}')
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t.save(self._get_file_handle(fname,'txt'))
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t.save(self._get_file_handle(fname,'.txt'))
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def save_GOM(self,fname=None):
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def save_GOM(self, fname: Union[TextIO, str, Path] = None):
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"""
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Save as ASCII file for use in GOM Aramis.
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@ -340,10 +345,10 @@ class Colormap(mpl.colors.ListedColormap):
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+ ' '.join([f' 0 {c[0]} {c[1]} {c[2]} 255 1' for c in reversed((self.colors*255).astype(int))]) \
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+ '\n'
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self._get_file_handle(fname,'legend').write(GOM_str)
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self._get_file_handle(fname,'.legend').write(GOM_str)
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def save_gmsh(self,fname=None):
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def save_gmsh(self, fname: Union[TextIO, str, Path] = None):
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"""
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Save as ASCII file for use in gmsh.
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@ -358,11 +363,13 @@ class Colormap(mpl.colors.ListedColormap):
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gmsh_str = 'View.ColorTable = {\n' \
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+'\n'.join([f'{c[0]},{c[1]},{c[2]},' for c in self.colors[:,:3]*255]) \
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+'\n}\n'
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self._get_file_handle(fname,'msh').write(gmsh_str)
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self._get_file_handle(fname,'.msh').write(gmsh_str)
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@staticmethod
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def _interpolate_msh(frac,low,high):
|
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def _interpolate_msh(frac,
|
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low: np.ndarray,
|
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high: np.ndarray) -> np.ndarray:
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"""
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Interpolate in Msh color space.
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|
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@ -439,31 +446,31 @@ class Colormap(mpl.colors.ListedColormap):
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@staticmethod
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def _hsv2rgb(hsv):
|
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def _hsv2rgb(hsv: np.ndarray) -> np.ndarray:
|
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"""H(ue) S(aturation) V(alue) to R(red) G(reen) B(lue)."""
|
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return np.array(colorsys.hsv_to_rgb(hsv[0]/360.,hsv[1],hsv[2]))
|
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|
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@staticmethod
|
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def _rgb2hsv(rgb):
|
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def _rgb2hsv(rgb: np.ndarray) -> np.ndarray:
|
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"""R(ed) G(reen) B(lue) to H(ue) S(aturation) V(alue)."""
|
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h,s,v = colorsys.rgb_to_hsv(rgb[0],rgb[1],rgb[2])
|
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return np.array([h*360,s,v])
|
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|
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|
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@staticmethod
|
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def _hsl2rgb(hsl):
|
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def _hsl2rgb(hsl: np.ndarray) -> np.ndarray:
|
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"""H(ue) S(aturation) L(uminance) to R(red) G(reen) B(lue)."""
|
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return np.array(colorsys.hls_to_rgb(hsl[0]/360.,hsl[2],hsl[1]))
|
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|
||||
@staticmethod
|
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def _rgb2hsl(rgb):
|
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def _rgb2hsl(rgb: np.ndarray) -> np.ndarray:
|
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"""R(ed) G(reen) B(lue) to H(ue) S(aturation) L(uminance)."""
|
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h,l,s = colorsys.rgb_to_hls(rgb[0],rgb[1],rgb[2])
|
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return np.array([h*360,s,l])
|
||||
|
||||
|
||||
@staticmethod
|
||||
def _xyz2rgb(xyz):
|
||||
def _xyz2rgb(xyz: np.ndarray) -> np.ndarray:
|
||||
"""
|
||||
CIE Xyz to R(ed) G(reen) B(lue).
|
||||
|
||||
|
|
@ -483,7 +490,7 @@ class Colormap(mpl.colors.ListedColormap):
|
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return np.clip(rgb,0.,1.)
|
||||
|
||||
@staticmethod
|
||||
def _rgb2xyz(rgb):
|
||||
def _rgb2xyz(rgb: np.ndarray) -> np.ndarray:
|
||||
"""
|
||||
R(ed) G(reen) B(lue) to CIE Xyz.
|
||||
|
||||
|
|
@ -501,7 +508,7 @@ class Colormap(mpl.colors.ListedColormap):
|
|||
|
||||
|
||||
@staticmethod
|
||||
def _lab2xyz(lab,ref_white=None):
|
||||
def _lab2xyz(lab: np.ndarray, ref_white: np.ndarray = None) -> np.ndarray:
|
||||
"""
|
||||
CIE Lab to CIE Xyz.
|
||||
|
||||
|
|
@ -514,13 +521,13 @@ class Colormap(mpl.colors.ListedColormap):
|
|||
f_z = (lab[0]+16.)/116. - lab[2]/200.
|
||||
|
||||
return np.array([
|
||||
f_x**3. if f_x**3. > _eps else (116.*f_x-16.)/_kappa,
|
||||
((lab[0]+16.)/116.)**3 if lab[0]>_kappa*_eps else lab[0]/_kappa,
|
||||
f_z**3. if f_z**3. > _eps else (116.*f_z-16.)/_kappa
|
||||
])*(ref_white if ref_white is not None else _ref_white)
|
||||
f_x**3. if f_x**3. > _EPS else (116.*f_x-16.)/_KAPPA,
|
||||
((lab[0]+16.)/116.)**3 if lab[0]>_KAPPA*_EPS else lab[0]/_KAPPA,
|
||||
f_z**3. if f_z**3. > _EPS else (116.*f_z-16.)/_KAPPA
|
||||
])*(ref_white if ref_white is not None else _REF_WHITE)
|
||||
|
||||
@staticmethod
|
||||
def _xyz2lab(xyz,ref_white=None):
|
||||
def _xyz2lab(xyz: np.ndarray, ref_white: np.ndarray = None) -> np.ndarray:
|
||||
"""
|
||||
CIE Xyz to CIE Lab.
|
||||
|
||||
|
|
@ -529,8 +536,8 @@ class Colormap(mpl.colors.ListedColormap):
|
|||
http://www.brucelindbloom.com/index.html?Eqn_Lab_to_XYZ.html
|
||||
|
||||
"""
|
||||
ref_white = ref_white if ref_white is not None else _ref_white
|
||||
f = np.where(xyz/ref_white > _eps,(xyz/ref_white)**(1./3.),(_kappa*xyz/ref_white+16.)/116.)
|
||||
ref_white = ref_white if ref_white is not None else _REF_WHITE
|
||||
f = np.where(xyz/ref_white > _EPS,(xyz/ref_white)**(1./3.),(_KAPPA*xyz/ref_white+16.)/116.)
|
||||
|
||||
return np.array([
|
||||
116.0 * f[1] - 16.0,
|
||||
|
|
@ -540,7 +547,7 @@ class Colormap(mpl.colors.ListedColormap):
|
|||
|
||||
|
||||
@staticmethod
|
||||
def _lab2msh(lab):
|
||||
def _lab2msh(lab: np.ndarray) -> np.ndarray:
|
||||
"""
|
||||
CIE Lab to Msh.
|
||||
|
||||
|
|
@ -558,7 +565,7 @@ class Colormap(mpl.colors.ListedColormap):
|
|||
])
|
||||
|
||||
@staticmethod
|
||||
def _msh2lab(msh):
|
||||
def _msh2lab(msh: np.ndarray) -> np.ndarray:
|
||||
"""
|
||||
Msh to CIE Lab.
|
||||
|
||||
|
|
@ -575,29 +582,29 @@ class Colormap(mpl.colors.ListedColormap):
|
|||
])
|
||||
|
||||
@staticmethod
|
||||
def _lab2rgb(lab):
|
||||
def _lab2rgb(lab: np.ndarray) -> np.ndarray:
|
||||
return Colormap._xyz2rgb(Colormap._lab2xyz(lab))
|
||||
|
||||
@staticmethod
|
||||
def _rgb2lab(rgb):
|
||||
def _rgb2lab(rgb: np.ndarray) -> np.ndarray:
|
||||
return Colormap._xyz2lab(Colormap._rgb2xyz(rgb))
|
||||
|
||||
@staticmethod
|
||||
def _msh2rgb(msh):
|
||||
def _msh2rgb(msh: np.ndarray) -> np.ndarray:
|
||||
return Colormap._lab2rgb(Colormap._msh2lab(msh))
|
||||
|
||||
@staticmethod
|
||||
def _rgb2msh(rgb):
|
||||
def _rgb2msh(rgb: np.ndarray) -> np.ndarray:
|
||||
return Colormap._lab2msh(Colormap._rgb2lab(rgb))
|
||||
|
||||
@staticmethod
|
||||
def _hsv2msh(hsv):
|
||||
def _hsv2msh(hsv: np.ndarray) -> np.ndarray:
|
||||
return Colormap._rgb2msh(Colormap._hsv2rgb(hsv))
|
||||
|
||||
@staticmethod
|
||||
def _hsl2msh(hsl):
|
||||
def _hsl2msh(hsl: np.ndarray) -> np.ndarray:
|
||||
return Colormap._rgb2msh(Colormap._hsl2rgb(hsl))
|
||||
|
||||
@staticmethod
|
||||
def _xyz2msh(xyz):
|
||||
def _xyz2msh(xyz: np.ndarray) -> np.ndarray:
|
||||
return Colormap._lab2msh(Colormap._xyz2lab(xyz))
|
||||
|
|
|
|||
|
|
@ -77,6 +77,12 @@ class TestColormap:
|
|||
# xyz2msh
|
||||
assert np.allclose(Colormap._xyz2msh(xyz),msh,atol=1.e-6,rtol=0)
|
||||
|
||||
@pytest.mark.parametrize('low,high',[((0,0,0),(1,1,1)),
|
||||
([0,0,0],[1,1,1])])
|
||||
def test_from_range_types(self,low,high):
|
||||
a = Colormap.from_range(low,high)
|
||||
b = Colormap.from_range(np.array(low),np.array(high))
|
||||
assert np.all(a.colors == b.colors)
|
||||
|
||||
@pytest.mark.parametrize('format',['ASCII','paraview','GOM','gmsh'])
|
||||
@pytest.mark.parametrize('model',['rgb','hsv','hsl','xyz','lab','msh'])
|
||||
|
|
|
|||
|
|
@ -4,6 +4,7 @@
|
|||
!> @details List of files needed by MSC.Marc
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
#include "parallelization.f90"
|
||||
#include "constants.f90"
|
||||
#include "IO.f90"
|
||||
#include "YAML_types.f90"
|
||||
#include "YAML_parse.f90"
|
||||
|
|
|
|||
|
|
@ -0,0 +1,15 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @author Martin Diehl, KU Leuven
|
||||
!> @brief physical constants
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module constants
|
||||
use prec
|
||||
|
||||
implicit none
|
||||
public
|
||||
|
||||
real(pReal), parameter :: &
|
||||
T_ROOM = 300.0_pReal, & !< Room temperature in K
|
||||
K_B = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
|
||||
|
||||
end module constants
|
||||
|
|
@ -219,18 +219,18 @@ module lattice
|
|||
2, -1, -1, 0, 0, 1, -1, 0, &
|
||||
-1, 2, -1, 0, -1, 0, 1, 0, &
|
||||
-1, -1, 2, 0, 1, -1, 0, 0, &
|
||||
! <-11.0>{11.0}/2nd order prismatic compound systems (plane normal independent of c/a-ratio)
|
||||
! <-11.0>{11.0}/2. order prismatic compound systems (plane normal independent of c/a-ratio)
|
||||
-1, 1, 0, 0, 1, 1, -2, 0, &
|
||||
0, -1, 1, 0, -2, 1, 1, 0, &
|
||||
1, 0, -1, 0, 1, -2, 1, 0, &
|
||||
! <-1-1.0>{-11.1}/1st order pyramidal <a> systems (direction independent of c/a-ratio)
|
||||
! <-1-1.0>{-11.1}/1. order pyramidal <a> systems (direction independent of c/a-ratio)
|
||||
-1, 2, -1, 0, 1, 0, -1, 1, &
|
||||
-2, 1, 1, 0, 0, 1, -1, 1, &
|
||||
-1, -1, 2, 0, -1, 1, 0, 1, &
|
||||
1, -2, 1, 0, -1, 0, 1, 1, &
|
||||
2, -1, -1, 0, 0, -1, 1, 1, &
|
||||
1, 1, -2, 0, 1, -1, 0, 1, &
|
||||
! <11.3>{-10.1}/1st order pyramidal <c+a> systems (direction independent of c/a-ratio)
|
||||
! <11.3>{-10.1}/1. order pyramidal <c+a> systems (direction independent of c/a-ratio)
|
||||
-2, 1, 1, 3, 1, 0, -1, 1, &
|
||||
-1, -1, 2, 3, 1, 0, -1, 1, &
|
||||
-1, -1, 2, 3, 0, 1, -1, 1, &
|
||||
|
|
@ -243,7 +243,7 @@ module lattice
|
|||
-1, 2, -1, 3, 0, -1, 1, 1, &
|
||||
-1, 2, -1, 3, 1, -1, 0, 1, &
|
||||
-2, 1, 1, 3, 1, -1, 0, 1, &
|
||||
! <11.3>{-1-1.2}/2nd order pyramidal <c+a> systems
|
||||
! <11.3>{-1-1.2}/2. order pyramidal <c+a> systems
|
||||
-1, -1, 2, 3, 1, 1, -2, 2, &
|
||||
1, -2, 1, 3, -1, 2, -1, 2, &
|
||||
2, -1, -1, 3, -2, 1, 1, 2, &
|
||||
|
|
@ -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)
|
||||
|
|
@ -753,22 +753,23 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
|
||||
integer, dimension(HEX_NSLIP,HEX_NSLIP), parameter :: &
|
||||
HEX_INTERACTIONSLIPSLIP = reshape( [&
|
||||
! basal prism 2. prism 1. pyr<a> 1. pyr<c+a> 2. pyr<c+a>
|
||||
1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! -----> acting (forest)
|
||||
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
|
||||
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! | basal
|
||||
2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
|
||||
! v
|
||||
6, 6, 6, 4, 5, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & ! reacting (primary)
|
||||
6, 6, 6, 5, 4, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
|
||||
6, 6, 6, 5, 4, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, & ! prism
|
||||
6, 6, 6, 5, 5, 4, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
|
||||
|
||||
12,12,12, 11,11,11, 9,10,10, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, &
|
||||
12,12,12, 11,11,11, 10, 9,10, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, &
|
||||
12,12,12, 11,11,11, 10, 9,10, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, & ! 2. prism
|
||||
12,12,12, 11,11,11, 10,10, 9, 15,15,15,15,15,15, 23,23,23,23,23,23,23,23,23,23,23,23, 33,33,33,33,33,33, &
|
||||
|
||||
20,20,20, 19,19,19, 18,18,18, 16,17,17,17,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
|
||||
20,20,20, 19,19,19, 18,18,18, 17,16,17,17,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
|
||||
20,20,20, 19,19,19, 18,18,18, 17,17,16,17,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
|
||||
20,20,20, 19,19,19, 18,18,18, 17,17,17,16,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
|
||||
20,20,20, 19,19,19, 18,18,18, 17,17,17,16,17,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, & ! 1. pyr<a>
|
||||
20,20,20, 19,19,19, 18,18,18, 17,17,17,17,16,17, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
|
||||
20,20,20, 19,19,19, 18,18,18, 17,17,17,17,17,16, 24,24,24,24,24,24,24,24,24,24,24,24, 34,34,34,34,34,34, &
|
||||
|
||||
|
|
@ -778,7 +779,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,25,26,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,25,26,26,26,26,26,26,26, 35,35,35,35,35,35, &
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,25,26,26,26,26,26,26, 35,35,35,35,35,35, &
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,25,26,26,26,26,26, 35,35,35,35,35,35, &
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,25,26,26,26,26,26, 35,35,35,35,35,35, & ! 1. pyr<c+a>
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,25,26,26,26,26, 35,35,35,35,35,35, &
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,26,25,26,26,26, 35,35,35,35,35,35, &
|
||||
30,30,30, 29,29,29, 28,28,28, 27,27,27,27,27,27, 26,26,26,26,26,26,26,26,26,25,26,26, 35,35,35,35,35,35, &
|
||||
|
|
@ -788,7 +789,7 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(
|
|||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 36,37,37,37,37,37, &
|
||||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,36,37,37,37,37, &
|
||||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,36,37,37,37, &
|
||||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,36,37,37, &
|
||||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,36,37,37, & ! 2. pyr<c+a>
|
||||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,36,37, &
|
||||
42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 &
|
||||
],shape(HEX_INTERACTIONSLIPSLIP)) !< Slip-slip interaction types for hex (onion peel naming scheme)
|
||||
|
|
@ -934,31 +935,32 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(
|
|||
!< 3: other interaction
|
||||
integer, dimension(HEX_NTWIN,HEX_NTWIN), parameter :: &
|
||||
HEX_INTERACTIONTWINTWIN = reshape( [&
|
||||
! <-10.1>{10.2} <11.6>{-1-1.1} <10.-2>{10.1} <11.-3>{11.2}
|
||||
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! -----> acting
|
||||
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
|
||||
2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
|
||||
2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! v
|
||||
2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! v <-10.1>{10.2}
|
||||
2, 2, 2, 2, 1, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! reacting
|
||||
2, 2, 2, 2, 2, 1, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
|
||||
6, 6, 6, 6, 6, 6, 4, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
|
||||
6, 6, 6, 6, 6, 6, 5, 4, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
|
||||
6, 6, 6, 6, 6, 6, 5, 5, 4, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
|
||||
6, 6, 6, 6, 6, 6, 5, 5, 5, 4, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
|
||||
6, 6, 6, 6, 6, 6, 5, 5, 5, 4, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, & ! <11.6>{-1-1.1}
|
||||
6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 4, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
|
||||
6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 5, 4, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
|
||||
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 9,10,10,10,10,10, 15,15,15,15,15,15, &
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 10, 9,10,10,10,10, 15,15,15,15,15,15, &
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10, 9,10,10,10, 15,15,15,15,15,15, &
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10, 9,10,10, 15,15,15,15,15,15, &
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10, 9,10,10, 15,15,15,15,15,15, & ! <10.-2>{10.1}
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10,10, 9,10, 15,15,15,15,15,15, &
|
||||
12,12,12,12,12,12, 11,11,11,11,11,11, 10,10,10,10,10, 9, 15,15,15,15,15,15, &
|
||||
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 16,17,17,17,17,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,16,17,17,17,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,16,17,17,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,16,17,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,16,17,17, & ! <11.-3>{11.2}
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,16,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,17,16 &
|
||||
],shape(HEX_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for hex
|
||||
|
|
@ -1012,7 +1014,7 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) resu
|
|||
2,2,2,2,2,2,2,2,2,1,1,1 &
|
||||
],shape(FCC_INTERACTIONTRANSTRANS)) !< Trans-trans interaction types for fcc
|
||||
|
||||
if(lattice == 'cF') then
|
||||
if (lattice == 'cF') then
|
||||
interactionTypes = FCC_INTERACTIONTRANSTRANS
|
||||
NtransMax = FCC_NTRANSSYSTEM
|
||||
else
|
||||
|
|
@ -1125,22 +1127,23 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
|
||||
integer, dimension(HEX_NTWIN,HEX_NSLIP), parameter :: &
|
||||
HEX_INTERACTIONSLIPTWIN = reshape( [&
|
||||
! <-10.1>{10.2} <11.6>{-1-1.1} <10.-2>{10.1} <11.-3>{11.2}
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! ----> twin (acting)
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | basal
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
|
||||
! v
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip (reacting)
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! prism
|
||||
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
|
||||
|
||||
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
|
||||
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
|
||||
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, & ! 2.prism
|
||||
9, 9, 9, 9, 9, 9, 10,10,10,10,10,10, 11,11,11,11,11,11, 12,12,12,12,12,12, &
|
||||
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, & ! 1. pyr<a>
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
|
||||
13,13,13,13,13,13, 14,14,14,14,14,14, 15,15,15,15,15,15, 16,16,16,16,16,16, &
|
||||
|
||||
|
|
@ -1150,7 +1153,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, & ! 1. pyr<c+a>
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
|
|
@ -1160,7 +1163,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) r
|
|||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, & ! 2. pyr<c+a>
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24 &
|
||||
],shape(HEX_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for hex
|
||||
|
|
@ -1264,31 +1267,32 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) r
|
|||
|
||||
integer, dimension(HEX_NSLIP,HEX_NTWIN), parameter :: &
|
||||
HEX_INTERACTIONTWINSLIP = reshape( [&
|
||||
! basal prism 2. prism 1. pyr<a> 1. pyr<c+a> 2. pyr<c+a>
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! ----> slip (acting)
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! v
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! v <-10.1>{10.2}
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! twin (reacting)
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, &
|
||||
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, & ! <11.6>{-1-1.1}
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
|
||||
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
|
||||
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, & ! <10.-2>{10.1}
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
|
||||
3, 3, 3, 7, 7, 7, 11,11,11, 15,15,15,15,15,15, 19,19,19,19,19,19,19,19,19,19,19,19, 23,23,23,23,23,23, &
|
||||
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, & ! <11.-3>{11.2}
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 &
|
||||
],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-slip interaction types for hex
|
||||
|
|
@ -1413,7 +1417,7 @@ 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)
|
||||
|
|
@ -1539,7 +1543,7 @@ 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)
|
||||
|
|
@ -2089,12 +2093,12 @@ function lattice_equivalent_nu(C,assumption) result(nu)
|
|||
real(pReal), dimension(6,6) :: S
|
||||
|
||||
|
||||
if (IO_lc(assumption) == 'voigt') then
|
||||
if (IO_lc(assumption) == 'voigt') then
|
||||
K = (C(1,1)+C(2,2)+C(3,3) +2.0_pReal*(C(1,2)+C(2,3)+C(1,3))) &
|
||||
/ 9.0_pReal
|
||||
elseif(IO_lc(assumption) == 'reuss') then
|
||||
call math_invert(S,error,C) ! ToDo: correct for Voigt?
|
||||
if(error) error stop 'matrix inversion failed'
|
||||
elseif (IO_lc(assumption) == 'reuss') then
|
||||
call math_invert(S,error,C)
|
||||
if (error) error stop 'matrix inversion failed'
|
||||
K = 1.0_pReal &
|
||||
/ (S(1,1)+S(2,2)+S(3,3) +2.0_pReal*(S(1,2)+S(2,3)+S(1,3)))
|
||||
else
|
||||
|
|
@ -2102,7 +2106,7 @@ function lattice_equivalent_nu(C,assumption) result(nu)
|
|||
endif
|
||||
|
||||
mu = lattice_equivalent_mu(C,assumption)
|
||||
nu = (1.5_pReal*K -mu)/(3.0_pReal*K+mu)
|
||||
nu = (1.5_pReal*K-mu)/(3.0_pReal*K+mu)
|
||||
|
||||
end function lattice_equivalent_nu
|
||||
|
||||
|
|
@ -2121,12 +2125,12 @@ function lattice_equivalent_mu(C,assumption) result(mu)
|
|||
real(pReal), dimension(6,6) :: S
|
||||
|
||||
|
||||
if (IO_lc(assumption) == 'voigt') then
|
||||
if (IO_lc(assumption) == 'voigt') then
|
||||
mu = (1.0_pReal*(C(1,1)+C(2,2)+C(3,3)) -1.0_pReal*(C(1,2)+C(2,3)+C(1,3)) +3.0_pReal*(C(4,4)+C(5,5)+C(6,6))) &
|
||||
/ 15.0_pReal
|
||||
elseif(IO_lc(assumption) == 'reuss') then
|
||||
call math_invert(S,error,C) ! ToDo: correct for Voigt?
|
||||
if(error) error stop 'matrix inversion failed'
|
||||
elseif (IO_lc(assumption) == 'reuss') then
|
||||
call math_invert(S,error,C)
|
||||
if (error) error stop 'matrix inversion failed'
|
||||
mu = 15.0_pReal &
|
||||
/ (4.0_pReal*(S(1,1)+S(2,2)+S(3,3)) -4.0_pReal*(S(1,2)+S(2,3)+S(1,3)) +3.0_pReal*(S(4,4)+S(5,5)+S(6,6)))
|
||||
else
|
||||
|
|
@ -2155,7 +2159,7 @@ subroutine selfTest
|
|||
|
||||
system = reshape([1.0_pReal+r(1),0.0_pReal,0.0_pReal, 0.0_pReal,1.0_pReal+r(2),0.0_pReal],[6,1])
|
||||
CoSy = buildCoordinateSystem([1],[1],system,'cF',0.0_pReal)
|
||||
if(any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
|
||||
if (any(dNeq(CoSy(1:3,1:3,1),math_I3))) error stop 'buildCoordinateSystem'
|
||||
|
||||
do i = 1, 10
|
||||
call random_number(C)
|
||||
|
|
@ -2201,13 +2205,13 @@ subroutine selfTest
|
|||
C(1,1) = C(1,1) + C(1,2) + 0.1_pReal
|
||||
C(4,4) = 0.5_pReal * (C(1,1) - C(1,2))
|
||||
C = lattice_symmetrize_C66(C,'cI')
|
||||
if(dNeq(C(4,4),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt'
|
||||
if(dNeq(C(4,4),lattice_equivalent_mu(C,'reuss'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss'
|
||||
if (dNeq(C(4,4),lattice_equivalent_mu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_mu/voigt'
|
||||
if (dNeq(C(4,4),lattice_equivalent_mu(C,'reuss'),1.0e-12_pReal)) error stop 'equivalent_mu/reuss'
|
||||
|
||||
lambda = C(1,2)
|
||||
if(dNeq(lambda*0.5_pReal/(lambda+lattice_equivalent_mu(C,'voigt')), &
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_equivalent_mu(C,'voigt')), &
|
||||
lattice_equivalent_nu(C,'voigt'),1.0e-12_pReal)) error stop 'equivalent_nu/voigt'
|
||||
if(dNeq(lambda*0.5_pReal/(lambda+lattice_equivalent_mu(C,'reuss')), &
|
||||
if (dNeq(lambda*0.5_pReal/(lambda+lattice_equivalent_mu(C,'reuss')), &
|
||||
lattice_equivalent_nu(C,'reuss'),1.0e-12_pReal)) error stop 'equivalent_nu/reuss'
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
|
|||
92
src/math.f90
92
src/math.f90
|
|
@ -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 :: &
|
||||
|
|
@ -132,19 +132,19 @@ pure recursive subroutine math_sort(a, istart, iend, sortDim)
|
|||
integer, intent(in),optional :: istart,iend, sortDim
|
||||
integer :: ipivot,s,e,d
|
||||
|
||||
if(present(istart)) then
|
||||
if (present(istart)) then
|
||||
s = istart
|
||||
else
|
||||
s = lbound(a,2)
|
||||
endif
|
||||
|
||||
if(present(iend)) then
|
||||
if (present(iend)) then
|
||||
e = iend
|
||||
else
|
||||
e = ubound(a,2)
|
||||
endif
|
||||
|
||||
if(present(sortDim)) then
|
||||
if (present(sortDim)) then
|
||||
d = sortDim
|
||||
else
|
||||
d = 1
|
||||
|
|
@ -467,7 +467,7 @@ pure function math_inv33(A)
|
|||
logical :: error
|
||||
|
||||
call math_invert33(math_inv33,DetA,error,A)
|
||||
if(error) math_inv33 = 0.0_pReal
|
||||
if (error) math_inv33 = 0.0_pReal
|
||||
|
||||
end function math_inv33
|
||||
|
||||
|
|
@ -698,7 +698,7 @@ pure function math_sym33to6(m33,weighted)
|
|||
integer :: i
|
||||
|
||||
|
||||
if(present(weighted)) then
|
||||
if (present(weighted)) then
|
||||
w = merge(NRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = NRMMANDEL
|
||||
|
|
@ -725,7 +725,7 @@ pure function math_6toSym33(v6,weighted)
|
|||
integer :: i
|
||||
|
||||
|
||||
if(present(weighted)) then
|
||||
if (present(weighted)) then
|
||||
w = merge(INVNRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = INVNRMMANDEL
|
||||
|
|
@ -802,11 +802,11 @@ pure function math_sym3333to66(m3333,weighted)
|
|||
integer :: i,j
|
||||
|
||||
|
||||
if(present(weighted)) then
|
||||
if (present(weighted)) then
|
||||
w = merge(NRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = NRMMANDEL
|
||||
endif
|
||||
end if
|
||||
|
||||
#ifndef __INTEL_COMPILER
|
||||
do concurrent(i=1:6, j=1:6)
|
||||
|
|
@ -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
|
||||
|
|
@ -837,7 +837,7 @@ pure function math_66toSym3333(m66,weighted)
|
|||
integer :: i,j
|
||||
|
||||
|
||||
if(present(weighted)) then
|
||||
if (present(weighted)) then
|
||||
w = merge(INVNRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = INVNRMMANDEL
|
||||
|
|
@ -1047,7 +1047,7 @@ subroutine math_eigh33(w,v,m)
|
|||
v(2,2) + m(2, 3) * w(1), &
|
||||
(m(1,1) - w(1)) * (m(2,2) - w(1)) - v(3,2)]
|
||||
norm = norm2(v(1:3, 1))
|
||||
fallback1: if(norm < threshold) then
|
||||
fallback1: if (norm < threshold) then
|
||||
call math_eigh(w,v,error,m)
|
||||
else fallback1
|
||||
v(1:3,1) = v(1:3, 1) / norm
|
||||
|
|
@ -1055,7 +1055,7 @@ subroutine math_eigh33(w,v,m)
|
|||
v(2,2) + m(2, 3) * w(2), &
|
||||
(m(1,1) - w(2)) * (m(2,2) - w(2)) - v(3,2)]
|
||||
norm = norm2(v(1:3, 2))
|
||||
fallback2: if(norm < threshold) then
|
||||
fallback2: if (norm < threshold) then
|
||||
call math_eigh(w,v,error,m)
|
||||
else fallback2
|
||||
v(1:3,2) = v(1:3, 2) / norm
|
||||
|
|
@ -1092,7 +1092,7 @@ pure function math_rotationalPart(F) result(R)
|
|||
I_F = [math_trace33(F), 0.5*(math_trace33(F)**2 - math_trace33(matmul(F,F)))]
|
||||
|
||||
x = math_clip(I_C(1)**2 -3.0_pReal*I_C(2),0.0_pReal)**(3.0_pReal/2.0_pReal)
|
||||
if(dNeq0(x)) then
|
||||
if (dNeq0(x)) then
|
||||
Phi = acos(math_clip((I_C(1)**3 -4.5_pReal*I_C(1)*I_C(2) +13.5_pReal*I_C(3))/x,-1.0_pReal,1.0_pReal))
|
||||
lambda = I_C(1) +(2.0_pReal * sqrt(math_clip(I_C(1)**2-3.0_pReal*I_C(2),0.0_pReal))) &
|
||||
*cos((Phi-2.0_pReal * PI*[1.0_pReal,2.0_pReal,3.0_pReal])/3.0_pReal)
|
||||
|
|
@ -1154,7 +1154,7 @@ function math_eigvalsh33(m)
|
|||
- 2.0_pReal/27.0_pReal*I(1)**3.0_pReal &
|
||||
- I(3) ! different from http://arxiv.org/abs/physics/0610206 (this formulation was in DAMASK)
|
||||
|
||||
if(all(abs([P,Q]) < TOL)) then
|
||||
if (all(abs([P,Q]) < TOL)) then
|
||||
math_eigvalsh33 = math_eigvalsh(m)
|
||||
else
|
||||
rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
|
||||
|
|
@ -1277,7 +1277,7 @@ real(pReal) pure elemental function math_clip(a, left, right)
|
|||
if (present(left)) math_clip = max(left,math_clip)
|
||||
if (present(right)) math_clip = min(right,math_clip)
|
||||
if (present(left) .and. present(right)) then
|
||||
if(left>right) error stop 'left > right'
|
||||
if (left>right) error stop 'left > right'
|
||||
endif
|
||||
|
||||
end function math_clip
|
||||
|
|
@ -1323,38 +1323,38 @@ subroutine selfTest
|
|||
error stop 'math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]'
|
||||
|
||||
call math_sort(sort_in_,1,3,2)
|
||||
if(any(sort_in_ /= sort_out_)) &
|
||||
if (any(sort_in_ /= sort_out_)) &
|
||||
error stop 'math_sort'
|
||||
|
||||
if(any(math_range(5) /= range_out_)) &
|
||||
if (any(math_range(5) /= range_out_)) &
|
||||
error stop 'math_range'
|
||||
|
||||
if(any(dNeq(math_exp33(math_I3,0),math_I3))) &
|
||||
if (any(dNeq(math_exp33(math_I3,0),math_I3))) &
|
||||
error stop 'math_exp33(math_I3,1)'
|
||||
if(any(dNeq(math_exp33(math_I3,128),exp(1.0_pReal)*math_I3))) &
|
||||
if (any(dNeq(math_exp33(math_I3,128),exp(1.0_pReal)*math_I3))) &
|
||||
error stop 'math_exp33(math_I3,128)'
|
||||
|
||||
call random_number(v9)
|
||||
if(any(dNeq(math_33to9(math_9to33(v9)),v9))) &
|
||||
if (any(dNeq(math_33to9(math_9to33(v9)),v9))) &
|
||||
error stop 'math_33to9/math_9to33'
|
||||
|
||||
call random_number(t99)
|
||||
if(any(dNeq(math_3333to99(math_99to3333(t99)),t99))) &
|
||||
if (any(dNeq(math_3333to99(math_99to3333(t99)),t99))) &
|
||||
error stop 'math_3333to99/math_99to3333'
|
||||
|
||||
call random_number(v6)
|
||||
if(any(dNeq(math_sym33to6(math_6toSym33(v6)),v6))) &
|
||||
if (any(dNeq(math_sym33to6(math_6toSym33(v6)),v6))) &
|
||||
error stop 'math_sym33to6/math_6toSym33'
|
||||
|
||||
call random_number(t66)
|
||||
if(any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66,1.0e-15_pReal))) &
|
||||
if (any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66,1.0e-15_pReal))) &
|
||||
error stop 'math_sym3333to66/math_66toSym3333'
|
||||
|
||||
if(any(dNeq(math_3333toVoigt66(math_Voigt66to3333(t66)),t66,1.0e-15_pReal))) &
|
||||
if (any(dNeq(math_3333toVoigt66(math_Voigt66to3333(t66)),t66,1.0e-15_pReal))) &
|
||||
error stop 'math_3333toVoigt66/math_Voigt66to3333'
|
||||
|
||||
call random_number(v6)
|
||||
if(any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
||||
if (any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
||||
error stop 'math_symmetric33'
|
||||
|
||||
call random_number(v3_1)
|
||||
|
|
@ -1362,34 +1362,34 @@ subroutine selfTest
|
|||
call random_number(v3_3)
|
||||
call random_number(v3_4)
|
||||
|
||||
if(dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0, &
|
||||
if (dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0, &
|
||||
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pReal)) &
|
||||
error stop 'math_volTetrahedron'
|
||||
|
||||
call random_number(t33)
|
||||
if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
||||
if (dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
||||
error stop 'math_det33/math_detSym33'
|
||||
|
||||
if(any(dNeq(t33+transpose(t33),math_mul3333xx33(math_identity4th(),t33+transpose(t33))))) &
|
||||
if (any(dNeq(t33+transpose(t33),math_mul3333xx33(math_identity4th(),t33+transpose(t33))))) &
|
||||
error stop 'math_mul3333xx33/math_identity4th'
|
||||
|
||||
if(any(dNeq0(math_eye(3),math_inv33(math_I3)))) &
|
||||
if (any(dNeq0(math_eye(3),math_inv33(math_I3)))) &
|
||||
error stop 'math_inv33(math_I3)'
|
||||
|
||||
do while(abs(math_det33(t33))<1.0e-9_pReal)
|
||||
call random_number(t33)
|
||||
enddo
|
||||
if(any(dNeq0(matmul(t33,math_inv33(t33)) - math_eye(3),tol=1.0e-9_pReal))) &
|
||||
if (any(dNeq0(matmul(t33,math_inv33(t33)) - math_eye(3),tol=1.0e-9_pReal))) &
|
||||
error stop 'math_inv33'
|
||||
|
||||
call math_invert33(t33_2,det,e,t33)
|
||||
if(any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
if (any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
error stop 'math_invert33: T:T^-1 != I'
|
||||
if(dNeq(det,math_det33(t33),tol=1.0e-12_pReal)) &
|
||||
if (dNeq(det,math_det33(t33),tol=1.0e-12_pReal)) &
|
||||
error stop 'math_invert33 (determinant)'
|
||||
|
||||
call math_invert(t33_2,e,t33)
|
||||
if(any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
if (any(dNeq0(matmul(t33,t33_2) - math_eye(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
error stop 'math_invert t33'
|
||||
|
||||
do while(math_det33(t33)<1.0e-2_pReal) ! O(det(F)) = 1
|
||||
|
|
@ -1397,7 +1397,7 @@ subroutine selfTest
|
|||
enddo
|
||||
t33_2 = math_rotationalPart(transpose(t33))
|
||||
t33 = math_rotationalPart(t33)
|
||||
if(any(dNeq0(matmul(t33_2,t33) - math_I3,tol=1.0e-10_pReal))) &
|
||||
if (any(dNeq0(matmul(t33_2,t33) - math_I3,tol=1.0e-10_pReal))) &
|
||||
error stop 'math_rotationalPart'
|
||||
|
||||
call random_number(r)
|
||||
|
|
@ -1405,33 +1405,33 @@ subroutine selfTest
|
|||
txx = math_eye(d)
|
||||
allocate(txx_2(d,d))
|
||||
call math_invert(txx_2,e,txx)
|
||||
if(any(dNeq0(txx_2,txx) .or. e)) &
|
||||
if (any(dNeq0(txx_2,txx) .or. e)) &
|
||||
error stop 'math_invert(txx)/math_eye'
|
||||
|
||||
call math_invert(t99_2,e,t99) ! not sure how likely it is that we get a singular matrix
|
||||
if(any(dNeq0(matmul(t99_2,t99)-math_eye(9),tol=1.0e-9_pReal)) .or. e) &
|
||||
if (any(dNeq0(matmul(t99_2,t99)-math_eye(9),tol=1.0e-9_pReal)) .or. e) &
|
||||
error stop 'math_invert(t99)'
|
||||
|
||||
if(any(dNeq(math_clip([4.0_pReal,9.0_pReal],5.0_pReal,6.5_pReal),[5.0_pReal,6.5_pReal]))) &
|
||||
if (any(dNeq(math_clip([4.0_pReal,9.0_pReal],5.0_pReal,6.5_pReal),[5.0_pReal,6.5_pReal]))) &
|
||||
error stop 'math_clip'
|
||||
|
||||
if(math_factorial(10) /= 3628800) &
|
||||
if (math_factorial(10) /= 3628800) &
|
||||
error stop 'math_factorial'
|
||||
|
||||
if(math_binomial(49,6) /= 13983816) &
|
||||
if (math_binomial(49,6) /= 13983816) &
|
||||
error stop 'math_binomial'
|
||||
|
||||
if(math_multinomial([1,2,3,4]) /= 12600) &
|
||||
if (math_multinomial([1,2,3,4]) /= 12600) &
|
||||
error stop 'math_multinomial'
|
||||
|
||||
ijk = cshift([1,2,3],int(r*1.0e2_pReal))
|
||||
if(dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),+1.0_pReal)) &
|
||||
if (dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),+1.0_pReal)) &
|
||||
error stop 'math_LeviCivita(even)'
|
||||
ijk = cshift([3,2,1],int(r*2.0e2_pReal))
|
||||
if(dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),-1.0_pReal)) &
|
||||
if (dNeq(math_LeviCivita(ijk(1),ijk(2),ijk(3)),-1.0_pReal)) &
|
||||
error stop 'math_LeviCivita(odd)'
|
||||
ijk = cshift([2,2,1],int(r*2.0e2_pReal))
|
||||
if(dNeq0(math_LeviCivita(ijk(1),ijk(2),ijk(3)))) &
|
||||
if (dNeq0(math_LeviCivita(ijk(1),ijk(2),ijk(3)))) &
|
||||
error stop 'math_LeviCivita'
|
||||
|
||||
end subroutine selfTest
|
||||
|
|
|
|||
|
|
@ -5,6 +5,7 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
module phase
|
||||
use prec
|
||||
use constants
|
||||
use math
|
||||
use rotations
|
||||
use IO
|
||||
|
|
|
|||
|
|
@ -58,14 +58,14 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
|
|||
associate(prm => param(kinematics_thermal_expansion_instance(p)))
|
||||
kinematic_type => kinematics%get(k)
|
||||
|
||||
prm%T_ref = kinematic_type%get_asFloat('T_ref', defaultVal=0.0_pReal)
|
||||
prm%T_ref = kinematic_type%get_asFloat('T_ref', defaultVal=T_ROOM)
|
||||
|
||||
prm%A(1,1,1) = kinematic_type%get_asFloat('A_11')
|
||||
prm%A(1,1,2) = kinematic_type%get_asFloat('A_11,T',defaultVal=0.0_pReal)
|
||||
prm%A(1,1,2) = kinematic_type%get_asFloat('A_11,T', defaultVal=0.0_pReal)
|
||||
prm%A(1,1,3) = kinematic_type%get_asFloat('A_11,T^2',defaultVal=0.0_pReal)
|
||||
if (any(phase_lattice(p) == ['hP','tI'])) then
|
||||
prm%A(3,3,1) = kinematic_type%get_asFloat('A_33')
|
||||
prm%A(3,3,2) = kinematic_type%get_asFloat('A_33,T',defaultVal=0.0_pReal)
|
||||
prm%A(3,3,2) = kinematic_type%get_asFloat('A_33,T', defaultVal=0.0_pReal)
|
||||
prm%A(3,3,3) = kinematic_type%get_asFloat('A_33,T^2',defaultVal=0.0_pReal)
|
||||
end if
|
||||
do i=1, size(prm%A,3)
|
||||
|
|
@ -98,14 +98,14 @@ module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
|
|||
|
||||
associate(prm => param(kinematics_thermal_expansion_instance(ph)))
|
||||
Li = dot_T * ( &
|
||||
prm%A(1:3,1:3,1)*(T - prm%T_ref)**0 & ! constant coefficient
|
||||
+ prm%A(1:3,1:3,2)*(T - prm%T_ref)**1 & ! linear coefficient
|
||||
+ prm%A(1:3,1:3,3)*(T - prm%T_ref)**2 & ! quadratic coefficient
|
||||
prm%A(1:3,1:3,1) & ! constant coefficient
|
||||
+ prm%A(1:3,1:3,2)*(T - prm%T_ref)**1 & ! linear coefficient
|
||||
+ prm%A(1:3,1:3,3)*(T - prm%T_ref)**2 & ! quadratic coefficient
|
||||
) / &
|
||||
(1.0_pReal &
|
||||
+ prm%A(1:3,1:3,1)*(T - prm%T_ref)**1 / 1. &
|
||||
+ prm%A(1:3,1:3,2)*(T - prm%T_ref)**2 / 2. &
|
||||
+ prm%A(1:3,1:3,3)*(T - prm%T_ref)**3 / 3. &
|
||||
+ prm%A(1:3,1:3,1)*(T - prm%T_ref)**1 / 1.0_pReal &
|
||||
+ prm%A(1:3,1:3,2)*(T - prm%T_ref)**2 / 2.0_pReal &
|
||||
+ prm%A(1:3,1:3,3)*(T - prm%T_ref)**3 / 3.0_pReal &
|
||||
)
|
||||
end associate
|
||||
dLi_dTstar = 0.0_pReal
|
||||
|
|
|
|||
|
|
@ -1,13 +1,15 @@
|
|||
submodule(phase:mechanical) elastic
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
real(pReal),dimension(3) :: &
|
||||
C_11 = 0.0_pReal, &
|
||||
C_12 = 0.0_pReal, &
|
||||
C_13 = 0.0_pReal, &
|
||||
C_33 = 0.0_pReal, &
|
||||
C_44 = 0.0_pReal, &
|
||||
C_66 = 0.0_pReal
|
||||
real(pReal) :: &
|
||||
T_ref
|
||||
end type tParameters
|
||||
|
||||
type(tParameters), allocatable, dimension(:) :: param
|
||||
|
|
@ -15,7 +17,7 @@ submodule(phase:mechanical) elastic
|
|||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Initialize elasticity.
|
||||
!> @brief initialize elasticity
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine elastic_init(phases)
|
||||
|
||||
|
|
@ -28,7 +30,7 @@ module subroutine elastic_init(phases)
|
|||
phase, &
|
||||
mech, &
|
||||
elastic
|
||||
|
||||
logical :: thermal_active
|
||||
|
||||
print'(/,1x,a)', '<<<+- phase:mechanical:elastic init -+>>>'
|
||||
print'(/,1x,a)', '<<<+- phase:mechanical:elastic:Hooke init -+>>>'
|
||||
|
|
@ -45,15 +47,35 @@ module subroutine elastic_init(phases)
|
|||
|
||||
associate(prm => param(ph))
|
||||
|
||||
prm%C_11 = elastic%get_asFloat('C_11')
|
||||
prm%C_12 = elastic%get_asFloat('C_12')
|
||||
prm%C_44 = elastic%get_asFloat('C_44')
|
||||
prm%T_ref = elastic%get_asFloat('T_ref', defaultVal=T_ROOM)
|
||||
|
||||
prm%C_11(1) = elastic%get_asFloat('C_11')
|
||||
prm%C_11(2) = elastic%get_asFloat('C_11,T', defaultVal=0.0_pReal)
|
||||
prm%C_11(3) = elastic%get_asFloat('C_11,T^2',defaultVal=0.0_pReal)
|
||||
|
||||
prm%C_12(1) = elastic%get_asFloat('C_12')
|
||||
prm%C_12(2) = elastic%get_asFloat('C_12,T', defaultVal=0.0_pReal)
|
||||
prm%C_12(3) = elastic%get_asFloat('C_12,T^2',defaultVal=0.0_pReal)
|
||||
|
||||
prm%C_44(1) = elastic%get_asFloat('C_44')
|
||||
prm%C_44(2) = elastic%get_asFloat('C_44,T', defaultVal=0.0_pReal)
|
||||
prm%C_44(3) = elastic%get_asFloat('C_44,T^2',defaultVal=0.0_pReal)
|
||||
|
||||
if (any(phase_lattice(ph) == ['hP','tI'])) then
|
||||
prm%C_13 = elastic%get_asFloat('C_13')
|
||||
prm%C_33 = elastic%get_asFloat('C_33')
|
||||
prm%C_13(1) = elastic%get_asFloat('C_13')
|
||||
prm%C_13(2) = elastic%get_asFloat('C_13,T', defaultVal=0.0_pReal)
|
||||
prm%C_13(3) = elastic%get_asFloat('C_13,T^2',defaultVal=0.0_pReal)
|
||||
|
||||
prm%C_33(1) = elastic%get_asFloat('C_33')
|
||||
prm%C_33(2) = elastic%get_asFloat('C_33,T', defaultVal=0.0_pReal)
|
||||
prm%C_33(3) = elastic%get_asFloat('C_33,T^2',defaultVal=0.0_pReal)
|
||||
end if
|
||||
|
||||
if (phase_lattice(ph) == 'tI') then
|
||||
prm%C_66(1) = elastic%get_asFloat('C_66')
|
||||
prm%C_66(2) = elastic%get_asFloat('C_66,T', defaultVal=0.0_pReal)
|
||||
prm%C_66(3) = elastic%get_asFloat('C_66,T^2',defaultVal=0.0_pReal)
|
||||
end if
|
||||
if (phase_lattice(ph) == 'tI') prm%C_66 = elastic%get_asFloat('C_66')
|
||||
|
||||
end associate
|
||||
end do
|
||||
|
|
@ -62,28 +84,51 @@ end subroutine elastic_init
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Return 6x6 elasticity tensor.
|
||||
!> @brief return 6x6 elasticity tensor
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module function elastic_C66(ph,en) result(C66)
|
||||
|
||||
integer, intent(in) :: &
|
||||
ph, &
|
||||
en
|
||||
|
||||
real(pReal), dimension(6,6) :: C66
|
||||
real(pReal) :: T
|
||||
|
||||
|
||||
associate(prm => param(ph))
|
||||
C66 = 0.0_pReal
|
||||
C66(1,1) = prm%C_11
|
||||
C66(1,2) = prm%C_12
|
||||
C66(4,4) = prm%C_44
|
||||
T = thermal_T(ph,en)
|
||||
|
||||
C66(1,1) = prm%C_11(1) &
|
||||
+ prm%C_11(2)*(T - prm%T_ref)**1 &
|
||||
+ prm%C_11(3)*(T - prm%T_ref)**2
|
||||
|
||||
C66(1,2) = prm%C_12(1) &
|
||||
+ prm%C_12(2)*(T - prm%T_ref)**1 &
|
||||
+ prm%C_12(3)*(T - prm%T_ref)**2
|
||||
|
||||
C66(4,4) = prm%C_44(1) &
|
||||
+ prm%C_44(2)*(T - prm%T_ref)**1 &
|
||||
+ prm%C_44(3)*(T - prm%T_ref)**2
|
||||
|
||||
|
||||
if (any(phase_lattice(ph) == ['hP','tI'])) then
|
||||
C66(1,3) = prm%C_13
|
||||
C66(3,3) = prm%C_33
|
||||
C66(1,3) = prm%C_13(1) &
|
||||
+ prm%C_13(2)*(T - prm%T_ref)**1 &
|
||||
+ prm%C_13(3)*(T - prm%T_ref)**2
|
||||
|
||||
C66(3,3) = prm%C_33(1) &
|
||||
+ prm%C_33(2)*(T - prm%T_ref)**1 &
|
||||
+ prm%C_33(3)*(T - prm%T_ref)**2
|
||||
|
||||
end if
|
||||
|
||||
if (phase_lattice(ph) == 'tI') C66(6,6) = prm%C_66
|
||||
if (phase_lattice(ph) == 'tI') then
|
||||
C66(6,6) = prm%C_66(1) &
|
||||
+ prm%C_66(2)*(T - prm%T_ref)**1 &
|
||||
+ prm%C_66(3)*(T - prm%T_ref)**2
|
||||
end if
|
||||
|
||||
C66 = lattice_symmetrize_C66(C66,phase_lattice(ph))
|
||||
|
||||
|
|
@ -93,7 +138,7 @@ end function elastic_C66
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Return shear modulus.
|
||||
!> @brief return shear modulus
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module function elastic_mu(ph,en) result(mu)
|
||||
|
||||
|
|
@ -110,7 +155,7 @@ end function elastic_mu
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Return Poisson ratio.
|
||||
!> @brief return Poisson ratio
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module function elastic_nu(ph,en) result(nu)
|
||||
|
||||
|
|
@ -128,7 +173,7 @@ 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
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -7,9 +7,6 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
submodule(phase:plastic) dislotungsten
|
||||
|
||||
real(pReal), parameter :: &
|
||||
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
D = 1.0_pReal, & !< grain size
|
||||
|
|
@ -344,7 +341,7 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
|
|||
dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot%gamma_sl(:,en)/prm%b_sl, &
|
||||
0.0_pReal, &
|
||||
prm%dipoleformation)
|
||||
v_cl = (3.0_pReal*mu*prm%D_0*exp(-prm%Q_cl/(kB*T))*prm%f_at/(2.0_pReal*PI*kB*T)) &
|
||||
v_cl = (3.0_pReal*mu*prm%D_0*exp(-prm%Q_cl/(K_B*T))*prm%f_at/(2.0_pReal*PI*K_B*T)) &
|
||||
* (1.0_pReal/(d_hat+prm%d_caron))
|
||||
dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,en))/(d_hat-prm%d_caron) ! ToDo: Discuss with Franz: Stress dependency?
|
||||
end where
|
||||
|
|
@ -475,7 +472,7 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
|||
if (present(tau_pos_out)) tau_pos_out = tau_pos
|
||||
if (present(tau_neg_out)) tau_neg_out = tau_neg
|
||||
|
||||
associate(BoltzmannRatio => prm%Q_s/(kB*T), &
|
||||
associate(BoltzmannRatio => prm%Q_s/(K_B*T), &
|
||||
b_rho_half => stt%rho_mob(:,en) * prm%b_sl * 0.5_pReal, &
|
||||
effectiveLength => dst%Lambda_sl(:,en) - prm%w)
|
||||
|
||||
|
|
|
|||
|
|
@ -9,9 +9,6 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
submodule(phase:plastic) dislotwin
|
||||
|
||||
real(pReal), parameter :: &
|
||||
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
|
||||
|
||||
type :: tParameters
|
||||
real(pReal) :: &
|
||||
Q_cl = 1.0_pReal, & !< activation energy for dislocation climb
|
||||
|
|
@ -31,7 +28,7 @@ submodule(phase:plastic) dislotwin
|
|||
delta_G = 1.0_pReal, & !< Free energy difference between austensite and martensite
|
||||
i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
|
||||
h = 1.0_pReal, & !< Stack height of hex nucleus
|
||||
T_ref = 0.0_pReal, &
|
||||
T_ref = T_ROOM, &
|
||||
a_cI = 1.0_pReal, &
|
||||
a_cF = 1.0_pReal
|
||||
real(pReal), dimension(2) :: &
|
||||
|
|
@ -150,7 +147,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
|
||||
myPlasticity = plastic_active('dislotwin')
|
||||
if(count(myPlasticity) == 0) return
|
||||
if (count(myPlasticity) == 0) return
|
||||
|
||||
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:dislotwin init -+>>>'
|
||||
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
|
||||
|
|
@ -173,7 +170,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
|
||||
do ph = 1, phases%length
|
||||
if(.not. myPlasticity(ph)) cycle
|
||||
if (.not. myPlasticity(ph)) cycle
|
||||
|
||||
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
|
||||
|
||||
|
|
@ -368,7 +365,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! parameters required for several mechanisms and their interactions
|
||||
if(prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
|
||||
if (prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
|
||||
prm%D = pl%get_asFloat('D')
|
||||
|
||||
if (prm%sum_N_tw + prm%sum_N_tr > 0) &
|
||||
|
|
@ -425,7 +422,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
|
|||
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
|
||||
dot%gamma_sl=>plasticState(ph)%dotState(startIndex:endIndex,:)
|
||||
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
|
||||
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
|
||||
|
||||
startIndex = endIndex + 1
|
||||
endIndex = endIndex + prm%sum_N_tw
|
||||
|
|
@ -473,9 +470,7 @@ 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, &
|
||||
|
|
@ -500,8 +495,8 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
|
|||
homogenizedC = homogenizedC &
|
||||
+ stt%f_tw(i,en)*C66_tw(1:6,1:6,i)
|
||||
end do
|
||||
end if twinActive
|
||||
|
||||
end if twinActive
|
||||
|
||||
transActive: if (prm%sum_N_tr > 0) then
|
||||
C66_tr = lattice_C66_trans(prm%N_tr,C,prm%lattice_tr,0.0_pReal,prm%a_cI,prm%a_cF)
|
||||
do i=1,prm%sum_N_tr
|
||||
|
|
@ -597,9 +592,9 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,en)
|
|||
Lp = Lp * f_unrotated
|
||||
dLp_dMp = dLp_dMp * f_unrotated
|
||||
|
||||
shearBandingContribution: if(dNeq0(prm%v_sb)) then
|
||||
shearBandingContribution: if (dNeq0(prm%v_sb)) then
|
||||
|
||||
E_kB_T = prm%E_sb/(kB*T)
|
||||
E_kB_T = prm%E_sb/(K_B*T)
|
||||
call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
|
||||
|
||||
do i = 1,6
|
||||
|
|
@ -696,8 +691,8 @@ module subroutine dislotwin_dotState(Mp,T,ph,en)
|
|||
* (prm%Gamma_sf(1) + prm%Gamma_sf(2) * T) / (mu*prm%b_sl(i)), &
|
||||
1.0_pReal, &
|
||||
prm%ExtendedDislocations)
|
||||
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(kB*T)) &
|
||||
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
|
||||
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(K_B*T)) &
|
||||
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(K_B*T)) - 1.0_pReal)
|
||||
|
||||
dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,en) &
|
||||
/ (d_hat-prm%d_caron(i))
|
||||
|
|
@ -848,7 +843,7 @@ module subroutine plastic_dislotwin_results(ph,group)
|
|||
'threshold stress for twinning','Pa',prm%systems_tw)
|
||||
|
||||
case('f_tr')
|
||||
if(prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), &
|
||||
if (prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), &
|
||||
'martensite volume fraction','m³/m³')
|
||||
|
||||
end select
|
||||
|
|
@ -909,7 +904,7 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
|
|||
significantStress: where(tau_eff > tol_math_check)
|
||||
stressRatio = tau_eff/prm%tau_0
|
||||
StressRatio_p = stressRatio** prm%p
|
||||
Q_kB_T = prm%Q_sl/(kB*T)
|
||||
Q_kB_T = prm%Q_sl/(K_B*T)
|
||||
v_wait_inverse = exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q) &
|
||||
/ prm%v_0
|
||||
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
|
||||
|
|
@ -931,8 +926,8 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
|
|||
|
||||
end associate
|
||||
|
||||
if(present(ddot_gamma_dtau_sl)) ddot_gamma_dtau_sl = ddot_gamma_dtau
|
||||
if(present(tau_sl)) tau_sl = tau
|
||||
if (present(ddot_gamma_dtau_sl)) ddot_gamma_dtau_sl = ddot_gamma_dtau
|
||||
if (present(tau_sl)) tau_sl = tau
|
||||
|
||||
end subroutine kinetics_sl
|
||||
|
||||
|
|
@ -982,7 +977,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
|
|||
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,en)+stt%rho_dip(s2,en))+&
|
||||
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/&
|
||||
(prm%L_tw*prm%b_sl(i))*&
|
||||
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,en)-tau(i))))
|
||||
(1.0_pReal-exp(-prm%V_cs/(K_B*T)*(dst%tau_r_tw(i,en)-tau(i))))
|
||||
else
|
||||
Ndot0=0.0_pReal
|
||||
end if
|
||||
|
|
@ -1002,7 +997,7 @@ pure subroutine kinetics_tw(Mp,T,dot_gamma_sl,ph,en,&
|
|||
|
||||
end associate
|
||||
|
||||
if(present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw = ddot_gamma_dtau
|
||||
if (present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw = ddot_gamma_dtau
|
||||
|
||||
end subroutine kinetics_tw
|
||||
|
||||
|
|
@ -1051,7 +1046,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
|
|||
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,en)+stt%rho_dip(s2,en))+&
|
||||
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,en)+stt%rho_dip(s1,en)))/&
|
||||
(prm%L_tr*prm%b_sl(i))*&
|
||||
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,en)-tau(i))))
|
||||
(1.0_pReal-exp(-prm%V_cs/(K_B*T)*(dst%tau_r_tr(i,en)-tau(i))))
|
||||
else
|
||||
Ndot0=0.0_pReal
|
||||
end if
|
||||
|
|
@ -1071,7 +1066,7 @@ pure subroutine kinetics_tr(Mp,T,dot_gamma_sl,ph,en,&
|
|||
|
||||
end associate
|
||||
|
||||
if(present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr = ddot_gamma_dtau
|
||||
if (present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr = ddot_gamma_dtau
|
||||
|
||||
end subroutine kinetics_tr
|
||||
|
||||
|
|
|
|||
|
|
@ -19,9 +19,6 @@ submodule(phase:plastic) nonlocal
|
|||
|
||||
type(tGeometry), dimension(:), allocatable :: geom
|
||||
|
||||
real(pReal), parameter :: &
|
||||
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
|
||||
|
||||
! storage order of dislocation types
|
||||
integer, dimension(*), parameter :: &
|
||||
sgl = [1,2,3,4,5,6,7,8] !< signed (single)
|
||||
|
|
@ -1094,9 +1091,9 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
|
|||
|
||||
! thermally activated annihilation of edge dipoles by climb
|
||||
rhoDotThermalAnnihilation = 0.0_pReal
|
||||
D_SD = prm%D_0 * exp(-prm%Q_cl / (kB * Temperature)) ! eq. 3.53
|
||||
D_SD = prm%D_0 * exp(-prm%Q_cl / (K_B * Temperature)) ! eq. 3.53
|
||||
v_climb = D_SD * mu * prm%V_at &
|
||||
/ (PI * (1.0_pReal-nu) * (dUpper(:,1) + dLower(:,1)) * kB * Temperature) ! eq. 3.54
|
||||
/ (PI * (1.0_pReal-nu) * (dUpper(:,1) + dLower(:,1)) * K_B * Temperature) ! eq. 3.54
|
||||
forall (s = 1:prm%sum_N_sl, dUpper(s,1) > dLower(s,1)) &
|
||||
rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * v_climb(s) / (dUpper(s,1) - dLower(s,1)), &
|
||||
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
|
||||
|
|
@ -1671,9 +1668,9 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, T,
|
|||
activationEnergy_P = criticalStress_P * activationVolume_P
|
||||
tauRel_P = min(1.0_pReal, tauEff / criticalStress_P)
|
||||
tPeierls = 1.0_pReal / prm%nu_a &
|
||||
* exp(activationEnergy_P / (kB * T) &
|
||||
* exp(activationEnergy_P / (K_B * T) &
|
||||
* (1.0_pReal - tauRel_P**prm%p)**prm%q)
|
||||
dtPeierls_dtau = merge(tPeierls * prm%p * prm%q * activationVolume_P / (kB * T) &
|
||||
dtPeierls_dtau = merge(tPeierls * prm%p * prm%q * activationVolume_P / (K_B * T) &
|
||||
* (1.0_pReal - tauRel_P**prm%p)**(prm%q-1.0_pReal) * tauRel_P**(prm%p-1.0_pReal), &
|
||||
0.0_pReal, &
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tauEff < criticalStress_P)
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|
@ -1685,8 +1682,8 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, T,
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criticalStress_S = prm%Q_sol / activationVolume_S
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tauRel_S = min(1.0_pReal, tauEff / criticalStress_S)
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||||
tSolidSolution = 1.0_pReal / prm%nu_a &
|
||||
* exp(prm%Q_sol / (kB * T)* (1.0_pReal - tauRel_S**prm%p)**prm%q)
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dtSolidSolution_dtau = merge(tSolidSolution * prm%p * prm%q * activationVolume_S / (kB * T) &
|
||||
* exp(prm%Q_sol / (K_B * T)* (1.0_pReal - tauRel_S**prm%p)**prm%q)
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||||
dtSolidSolution_dtau = merge(tSolidSolution * prm%p * prm%q * activationVolume_S / (K_B * T) &
|
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* (1.0_pReal - tauRel_S**prm%p)**(prm%q-1.0_pReal)* tauRel_S**(prm%p-1.0_pReal), &
|
||||
0.0_pReal, &
|
||||
tauEff < criticalStress_S)
|
||||
|
|
|
|||
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Reference in New Issue