elasticipy 3.0.0__py3-none-any.whl → 4.0.0__py3-none-any.whl

Elasticipy/tensors/stress_strain.py

@@ -0,0 +1,138 @@
+import numpy as np
+from Elasticipy.tensors.second_order import SymmetricSecondOrderTensor
+
+
+class StrainTensor(SymmetricSecondOrderTensor):
+    """
+    Class for manipulating symmetric strain tensors or arrays of symmetric strain tensors.
+
+    """
+    name = 'Strain tensor'
+    voigt_map = [1, 1, 1, 2, 2, 2]
+
+    def principal_strains(self):
+        """
+        Values of the principals strains.
+
+        If the tensor array is of shape [m,n,...], the results will be of shape [m,n,...,3].
+
+        Returns
+        -------
+        np.ndarray
+            Principal strain values
+        """
+        return self.eigvals()
+
+    def volumetric_strain(self):
+        """
+        Volumetric change (1st invariant of the strain tensor)
+
+        Returns
+        -------
+        numpy.ndarray or float
+            Volumetric change
+        """
+        return self.I1
+
+    def eq_strain(self):
+        """von Mises equivalent strain"""
+        return np.sqrt(2/3 * self.ddot(self))
+
+    def elastic_energy(self, stress):
+        """
+        Compute the elastic energy.
+
+        Parameters
+        ----------
+        stress : StressTensor
+            Corresponding stress tensor
+
+        Returns
+        -------
+        Volumetric elastic energy
+        """
+        return 0.5 * self.ddot(stress)
+
+
+class StressTensor(SymmetricSecondOrderTensor):
+    """
+    Class for manipulating stress tensors or arrays of stress tensors.
+    """
+    name = 'Stress tensor'
+
+    def principal_stresses(self):
+        """
+        Values of the principals stresses.
+
+        If the tensor array is of shape [m,n,...], the results will be of shape [m,n,...,3].
+
+        Returns
+        -------
+        np.ndarray
+            Principal stresses
+        """
+        return self.eigvals()
+
+    def vonMises(self):
+        """
+        von Mises equivalent stress.
+
+        Returns
+        -------
+        np.ndarray or float
+            von Mises equivalent stress
+
+        See Also
+        --------
+        Tresca : Tresca equivalent stress
+        """
+        return np.sqrt(3 * self.J2)
+
+    def Tresca(self):
+        """
+        Tresca(-Guest) equivalent stress.
+
+        Returns
+        -------
+        np.ndarray or float
+            Tresca equivalent stress
+
+        See Also
+        --------
+        vonMises : von Mises equivalent stress
+        """
+        ps = self.principal_stresses()
+        return ps[...,0] - ps[...,-1]
+
+    def hydrostatic_pressure(self):
+        """
+        Hydrostatic pressure
+
+        Returns
+        -------
+        np.ndarray or float
+
+        See Also
+        --------
+        sphericalPart : spherical part of the stress
+        """
+        return -self.I1/3
+
+    def elastic_energy(self, strain, mode='pair'):
+        """
+        Compute the elastic energy.
+
+        Parameters
+        ----------
+        strain : StrainTensor
+            Corresponding elastic strain tensor
+        mode : str, optional
+            If 'pair' (default), the elastic energies are computed element-wise. Broadcasting rule applies.
+            If 'cross', each cross-combination of stress and strain are considered.
+
+        Returns
+        -------
+        numpy.ndarray
+            Volumetric elastic energy
+        """
+        return 0.5 * self.ddot(strain, mode=mode)

Elasticipy/tensors/thermal_expansion.py

@@ -0,0 +1,249 @@
+import warnings
+
+from Elasticipy.tensors.second_order import SymmetricSecondOrderTensor, ALPHABET, is_orix_rotation
+from Elasticipy.tensors.stress_strain import StrainTensor
+import numpy as np
+from scipy.spatial.transform import Rotation
+
+class ThermalExpansionTensor(SymmetricSecondOrderTensor):
+    name = 'Thermal expansion tensor'
+
+    def __mul__(self, other):
+        if isinstance(other, Rotation) or is_orix_rotation(other):
+            return super().__mul__(other)
+        else:
+            other = np.asarray(other)
+            other_expanded = other[..., None, None]
+            other_with_eye = other_expanded * np.ones(3)
+            new_mat = self.matrix * other_with_eye
+            return StrainTensor(new_mat)
+
+    def apply_temperature(self, temperature, mode='pair'):
+        """
+        Apply temperature increase to the thermal expansion tensor, or to the array.
+
+        Application can be made pair-wise, or considering all cross-combinations (see below).
+
+        Parameters
+        ----------
+        temperature : float or numpy.ndarray
+        mode : str, optional
+            If "pair" (default), the temperatures are applied pair-wise on the tensor array. Broadcasting rule applies
+            If "cross", all cross combinations are considered. Therefore, if ``C=A.apply_temperature(T, mode="cross")``,
+            then ``C.shape=A.shape + T.shape``.
+
+        Returns
+        -------
+        StrainTensor
+            Strain corresponding to the applied temperature increase(s).
+
+        Examples
+        --------
+        Let consider a transverse isotropic case (e.g. carbon fibers):
+        >>> from Elasticipy.ThermalExpansion import ThermalExpansionTensor as ThEx
+        >>> alpha = ThEx.transverse_isotropic(alpha_11=5.6e-6, alpha_33=-0.4e-6)
+
+        Now apply temperature increases:
+        >>> T = [0, 1, 2]
+        >>> eps = alpha.apply_temperature(T)
+
+        We get a strain tensor of the same shape as the applied temperatures:
+        >>> eps
+        Strain tensor
+        Shape=(3,)
+        >>> eps[-1]
+        Strain tensor
+        [[ 1.12e-05  0.00e+00  0.00e+00]
+         [ 0.00e+00  1.12e-05  0.00e+00]
+         [ 0.00e+00  0.00e+00 -8.00e-07]]
+
+         Now let's rotate the thermal expansions:
+         >>> from scipy.spatial.transform import Rotation
+         >>> rot = Rotation.random(3) # Set of 3 random 3D rotations
+         >>> alpha_rotated = alpha * rot
+
+         If we want to combine each rotated thermal expansion with the corresponding temperature increase:
+         >>> eps_rotated_pair = alpha_rotated * T # Equivalent to alpha_rotated.apply_temperature(T)
+         >>> eps_rotated_pair
+         Strain tensor
+         Shape=(3,)
+
+         Conversely, if we want to evaluate all cross-combinations of thermal expansions and temperature increases:
+
+         >>> eps_rotated_cross = alpha_rotated.apply_temperature(T, mode='cross')
+         >>> eps_rotated_cross
+         Strain tensor
+         Shape=(3, 3)
+
+        """
+        temperature = np.asarray(temperature)
+        if mode == 'pair':
+            matrix = self.matrix*temperature[...,np.newaxis,np.newaxis]
+        elif mode == 'cross':
+            indices_self = ALPHABET[:self.ndim]
+            indices_temp = ALPHABET[:len(temperature.shape)].upper()
+            ein_str = indices_self + 'ij,' + indices_temp + '->' + indices_self + indices_temp + 'ij'
+            matrix = np.einsum(ein_str, self.matrix, temperature)
+        else:
+            raise ValueError('Invalid mode. It could be either "pair" or "cross".')
+        return StrainTensor(matrix)
+
+
+    def matmul(self, other):
+        """
+        Matrix like product with array of float, resulting either in StrainTensor.
+
+        Compute the product between the tensor and a numpy array in a "matrix-product" way,*
+        that is by computing each of the products. If T.shape=(m,n,o,...) and other.shape=(p,q,r,...), then::
+
+            T.matmul(other).shape = (m,n,o,...,p,q,r,...)
+
+        Parameters
+        ----------
+        other : np.ndarray
+            Value to multiply by.
+        Returns
+        -------
+        StrainTensor
+            Array fo strain tensors corresponding to all cross-combinations between Thermal expansions and temperature
+            increases.
+        """
+        warnings.warn(
+            'matmul() is deprecated and will be removed in a future version. Use dot(tensor,mode="cross") or '
+            'rotate(rotation,mode="cross") instead.',
+            DeprecationWarning,
+            stacklevel=2)
+        if isinstance(other, Rotation) or is_orix_rotation(other):
+            return super().matmul(other)
+        else:
+            return self.apply_temperature(other, mode='cross')
+
+
+    @classmethod
+    def isotropic(cls, alpha):
+        """
+        Create an isotropic thermal expansion tensor.
+
+        Parameters
+        ----------
+        alpha : float
+            Thermal expansion coefficient.
+
+        Returns
+        -------
+        ThermalExpansionTensor
+        """
+        return cls(np.eye(3)*alpha)
+
+    @classmethod
+    def orthotropic(cls, alpha_11, alpha_22, alpha_33):
+        """
+        Create an orthotropic thermal expansion tensor.
+
+        Parameters
+        ----------
+        alpha_11, alpha_22, alpha_33 : float
+            Thermal expansion coefficients along the first, second and third axes, respectively.
+
+        Returns
+        -------
+        ThermalExpansionTensor
+        """
+        return cls(np.diag([alpha_11, alpha_22, alpha_33]))
+
+    @classmethod
+    def orthorhombic(cls, *args):
+        """
+        Create a thermal expansion tensor corresponding to an orthotropic thermal expansion coefficient.
+
+        This function is an alias for orthotropic().
+
+        Parameters
+        ----------
+        args : list
+            Orthotropic thermal expansion coefficient.
+
+        Returns
+        -------
+        ThermalExpansionTensor
+
+        See Also
+        --------
+        orthotropic
+        """
+        return cls.orthotropic(*args)
+
+    @classmethod
+    def monoclinic(cls, alpha_11, alpha_22, alpha_33, alpha_13=None, alpha_12=None):
+        """
+        Create a thermal expansion tensor for monoclinic symmetry.
+
+        If alpha_13, the Diad || z is assumed. If alpha_12, the Diad || z is assumed. Therefore, these two parameters
+        are exclusive.
+
+        Parameters
+        ----------
+        alpha_11, alpha_22, alpha_33 : float
+            Thermal expansion coefficient along the first, second and third axes, respectively.
+        alpha_13 : float, optional
+            Thermal expansion coefficient corresponding to XZ shear (for Diad || y)
+        alpha_12: float, optional
+            Thermal expansion coefficient corresponding to XY shear (for Diad || z)
+
+        Returns
+        -------
+        ThermalExpansionTensor
+        """
+        matrix = np.diag([alpha_11, alpha_22, alpha_33])
+        if (alpha_13 is not None) and (alpha_12 is None):
+            matrix[0, 2] = matrix[2, 0]= alpha_13
+        elif (alpha_12 is not None) and (alpha_13 is None):
+            matrix[0, 1] = matrix[1, 0]= alpha_12
+        elif (alpha_13 is not None) and (alpha_12 is not None):
+            raise ValueError('alpha_13 and alpha_12 cannot be used together.')
+        else:
+            raise ValueError('Either alpha_13 or alpha_12 must be provided.')
+        return cls(matrix)
+
+
+    @classmethod
+    def triclinic(cls, alpha_11=0., alpha_12=0., alpha_13=0., alpha_22=0., alpha_23=0., alpha_33=0.):
+        """
+        Create a thermal expansion tensor for triclinic symmetry.
+
+        Parameters
+        ----------
+        alpha_11, alpha_12, alpha_13, alpha_22, alpha_23, alpha_33 : float
+            Values of the thermal expansion coefficients
+
+        Returns
+        -------
+        ThermalExpansionTensor
+        """
+        mat = [[alpha_11, alpha_12, alpha_13],
+               [alpha_12, alpha_22, alpha_23],
+               [alpha_13, alpha_23, alpha_33]]
+        return cls(mat)
+
+    @classmethod
+    def transverse_isotropic(cls, alpha_11, alpha_33):
+        """
+        Create a thermal expansion tensor for transverse isotropic symmetry.
+
+        Parameters
+        ----------
+        alpha_11 : float
+            Thermal expansion coefficient along the first and second axes
+        alpha_33 : float
+            Thermal expansion coefficient along the third axis
+
+        Returns
+        -------
+        ThermalExpansionTensor
+        """
+        return cls(np.diag([alpha_11, alpha_11, alpha_33]))
+
+    @property
+    def volumetric_coefficient(self):
+        """ Returns the volumetric thermal expansion coefficient."""
+        return self.I1

{elasticipy-3.0.0.dist-info → elasticipy-4.0.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
-Metadata-Version: 2.2
+Metadata-Version: 2.4
 Name: elasticipy
-Version: 3.0.0
+Version: 4.0.0
 Summary: A Python library for elasticity tensor computations
 Author-email: Dorian Depriester <dorian.dep@gmail.com>
 License: MIT
@@ -27,8 +27,8 @@ Requires-Dist: pytest-cov; extra == "dev"
 Requires-Dist: pymatgen; extra == "dev"
 Requires-Dist: orix; extra == "dev"
 Requires-Dist: mp_api; extra == "dev"
+Dynamic: license-file
 
-# Elasticipy 
 [![PyPI - Version](https://img.shields.io/pypi/v/Elasticipy?link=https%3A%2F%2Fpypi.org%2Fproject%2FElasticipy%2F)](https://pypi.org/project/elasticipy/)
 [![PyPI - Downloads](https://img.shields.io/pypi/dm/Elasticipy?link=https%3A%2F%2Fpypi.org%2Fproject%2FElasticipy%2F)](https://pypistats.org/packages/elasticipy)
 [![PyPI - License](https://img.shields.io/pypi/l/Elasticipy)](https://github.com/DorianDepriester/Elasticipy/blob/main/LICENSE)
@@ -38,9 +38,9 @@ Requires-Dist: mp_api; extra == "dev"
 ![PyPI - Python Version](https://img.shields.io/pypi/pyversions/Elasticipy)
 [![status](https://joss.theoj.org/papers/8cce91b782f17f52e9ee30916cd86ad5/status.svg)](https://joss.theoj.org/papers/8cce91b782f17f52e9ee30916cd86ad5)
 
+# ![Elasticipy](docs/source/logo/logo_text.svg)
 
-
-A python toolkit to manipulate strain and strain tensors, and other linear elasticity-related tensors (e.g. stiffness). 
+A python toolkit to manipulate stress and strain tensors, and other linear elasticity-related tensors (e.g. stiffness). 
 This package also provides a collection of easy-to-use and very fast tools to work on stress and strain tensors.
 
 ## Main features

elasticipy-4.0.0.dist-info/RECORD

@@ -0,0 +1,20 @@
+Elasticipy/FourthOrderTensor.py,sha256=jKXGD69Zas5CKQfeSz-AgLfeYX2XN-O6Q6lGtBKuoiU,508
+Elasticipy/StressStrainTensors.py,sha256=xs4wgG1ohx3pT-X5GZUlm511SazHPsD_-okn822NqCA,491
+Elasticipy/ThermalExpansion.py,sha256=O7VlU_8prjUzlVhQ4N-J66Zhs89S7TqllepUOQ-psJM,411
+Elasticipy/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+Elasticipy/crystal_symmetries.py,sha256=DAX-XPgYqI2nFvf6anCVvZ5fLM0CNSDJ7r2h15l3Hoc,3958
+Elasticipy/gui.py,sha256=ta_EqjwI_HqIl-Sqtrnbj0lwZ818UmA0It5gC2MS87k,11249
+Elasticipy/plasticity.py,sha256=G8r9v51iD4g3szRe7IdTXE1wiXQzsGr3wlMGOYbtTPc,11377
+Elasticipy/polefigure.py,sha256=G3Sz7ssX2KKY96g3XEvcaOYFmEat9JUCdb2A91XbA6w,3531
+Elasticipy/spherical_function.py,sha256=vSV8zOqk3w4PIImQd4sKeQgn-j9oha1WQtSL2AmPEaw,41244
+Elasticipy/tensors/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+Elasticipy/tensors/elasticity.py,sha256=NpgDuGLgCtHQh-orihNDh6Oc5Qw9O-jveML8pVCqUTY,61074
+Elasticipy/tensors/fourth_order.py,sha256=uuQSIhbuG17Y7iSwdujwSbGKvF8BTDb-5yEXXCEo5Dk,20741
+Elasticipy/tensors/second_order.py,sha256=GOLNriRPL8BqxNyZpcpOsy1GGDBrOHozojl4G8fnwaE,52278
+Elasticipy/tensors/stress_strain.py,sha256=TC6L1IsuJh53ZCEEMXumOhRHl0w1wiNI25Jwudqv7bs,3264
+Elasticipy/tensors/thermal_expansion.py,sha256=XZ9e8Sn9vsLGVh79TrBQoBOkXMg8qF3pShiPSzix4q0,8634
+elasticipy-4.0.0.dist-info/licenses/LICENSE,sha256=qNthTMSjVkIDM1_BREgVFQHdn1wVNQi9pwWVfTIazMA,1074
+elasticipy-4.0.0.dist-info/METADATA,sha256=wvXEyiXxjUKAK83oc1Yw6iZGJ8JMYpaDDM2g6yk6Ol0,4016
+elasticipy-4.0.0.dist-info/WHEEL,sha256=CmyFI0kx5cdEMTLiONQRbGQwjIoR1aIYB7eCAQ4KPJ0,91
+elasticipy-4.0.0.dist-info/top_level.txt,sha256=k4zSQzJR5P4vzlHlhWUaxNgvgloq4KIp8oca2X8gQOw,11
+elasticipy-4.0.0.dist-info/RECORD,,

{elasticipy-3.0.0.dist-info → elasticipy-4.0.0.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (75.8.1)
+Generator: setuptools (78.1.0)
 Root-Is-Purelib: true
 Tag: py3-none-any
 

elasticipy-3.0.0.dist-info/RECORD

@@ -1,15 +0,0 @@
-Elasticipy/CrystalSymmetries.py,sha256=DAX-XPgYqI2nFvf6anCVvZ5fLM0CNSDJ7r2h15l3Hoc,3958
-Elasticipy/FourthOrderTensor.py,sha256=slRB4WL5JZKA8YP7jXMaQs9PRkhi1-RWDGhVNL2VuYA,63944
-Elasticipy/Plasticity.py,sha256=vfL4Ckpk-GgpxXjGXEd4dTSIZJDr28wh_Za5S7PM3WI,11375
-Elasticipy/PoleFigure.py,sha256=G3Sz7ssX2KKY96g3XEvcaOYFmEat9JUCdb2A91XbA6w,3531
-Elasticipy/SecondOrderTensor.py,sha256=USsX2Jg_H8t67P10csPFVxmXJ40PPH7D94Kod_pdD7Y,52261
-Elasticipy/SphericalFunction.py,sha256=X6hrjwCiZkLjiUQ8WO2W4vLNOlbQ4jLWsloOg33IlL4,41244
-Elasticipy/StressStrainTensors.py,sha256=gEPo69Bnu4qBEeyYc4Rn-T213E-fTmTh_QNwAdVCX_U,3261
-Elasticipy/ThermalExpansion.py,sha256=pXAa6CJ7_Yr02ZfUNcjFL7l6o0Bc-O1E3IjEM7yfYy4,8629
-Elasticipy/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-Elasticipy/gui.py,sha256=zyVnvp6IIi3FDR5hWfIJrOP28Y7XkP4wc71XXMyGpeo,11247
-elasticipy-3.0.0.dist-info/LICENSE,sha256=qNthTMSjVkIDM1_BREgVFQHdn1wVNQi9pwWVfTIazMA,1074
-elasticipy-3.0.0.dist-info/METADATA,sha256=-aOaNihsY1m4e1NANFp-EMtTWgQ63vPNS0AlbWRAkLk,3961
-elasticipy-3.0.0.dist-info/WHEEL,sha256=nn6H5-ilmfVryoAQl3ZQ2l8SH5imPWFpm1A5FgEuFV4,91
-elasticipy-3.0.0.dist-info/top_level.txt,sha256=k4zSQzJR5P4vzlHlhWUaxNgvgloq4KIp8oca2X8gQOw,11
-elasticipy-3.0.0.dist-info/RECORD,,