Metadata-Version: 2.4
Name: Elaston
Version: 0.0.2
Summary: Elaston - linear elasticity toolbox
Project-URL: Homepage, https://pyiron.org/
Project-URL: Documentation, https://elaston.readthedocs.io
Project-URL: Repository, https://github.com/pyiron/elaston
Author-email: Sam Waseda <waseda@mpie.de>
License: BSD 3-Clause License
        
        Copyright (c) 2024, Max-Planck-Institut für Nachhaltige Materialien GmbH - Computational Materials Design (CM) Department
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License-File: LICENSE
Keywords: pyiron
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering
Requires-Python: <3.15,>=3.11
Requires-Dist: numpy<2.5.0,>=2.4.6
Requires-Dist: semantikon<1.4.0,>=1.3.2
Description-Content-Type: text/markdown

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# Elaston

Elaston is a simple and lightweight module for linear elasticity calculations.

## Installation

We will offer pip and conda at some point. For now, you can install the package by cloning the repository and running the following command in the root directory:

```bash
pip install .
```

## Features

- Calculation of elastic constants
- Stress, strain and displacement field around dislocations using anisotropic elasticity
- Stress, strain and displacement field around point defects


## Usage

Examples I: Get bulk modulus from the elastic tensor:

```python
from elaston import LinearElasticity

medium = LinearElasticity(C_11=211.0, C_12=130.0, C_44=82.0)  # Fe
medium_voigt = medium.get_voigt_average()
parameters = medium_voigt.get_elastic_moduli()
print(parameters['bulk_modulus'])
```


Example II: Get strain field around a point defect:

```python
import numpy as np
medium = LinearElasticity(C_11=211.0, C_12=130.0, C_44=82.0)
random_positions = np.random.random((10, 3)) - 0.5
dipole_tensor = np.eye(3)
print(medium.get_point_defect_strain(random_positions, dipole_tensor))
```


Example III: Get stress field around a dislocation:

```python
import numpy as np
medium = LinearElasticity(C_11=211.0, C_12=130.0, C_44=82.0)
random_positions = np.random.random((10, 3)) - 0.5
# Burgers vector of a screw dislocation in bcc Fe
burgers_vector = np.array([0, 0, 2.86 * np.sqrt(3) / 2])
print(medium.get_dislocation_stress(random_positions, burgers_vector))
```

Example IV: Estimate the distance between partial dislocations:

```python
medium = LinearElasticity(C_11=110.5, C_12=64.8, C_44=30.9)  # Al
lattice_constant = 4.05
partial_one = np.array([-0.5, 0, np.sqrt(3) / 2]) * lattice_constant
partial_two = np.array([0.5, 0, np.sqrt(3) / 2]) * lattice_constant
distance = 100
stress_one = medium.get_dislocation_stress([0, distance, 0], partial_one)
print('Choose `distance` in the way that the value below corresponds to SFE')
medium.get_dislocation_force(stress_one, [0, 1, 0], partial_two)
```