matengine 0.0.6

A library for material discovery

MatEngine

MatEngine is a Python library designed for the engineering and scientific community focused on materials science. When fully developed, it will facilitate material discovery through micro to macrostructural generation and characterisation through simulation.

Features:

• Material Generation: Tools to generate material structures at various scales
  • random field generation
  • plurigaussian simulation
  • plotting functionality

NB: MatEngine is currently in development, and as such, the feature list will continue to be updated

Quick Start

Below is an example of how to generate a discrete two-phase structure with plurigaussian simulation

from matengine.generation.generators import random_field, create_covariance_model
from matengine.generation.decisiontree import decision_tree, ellipse
from matengine.generation.plurigaussian import plurigaussian_simulation
from matengine.utils.plotting import array_to_vtk

dim = [50,50]
ls=5
var=1
kernel = 'gau'
seed1 = 123
seed2 = 1234
mdl = create_covariance_model(kernel, dim, var, ls)
z1 = random_field(mdl, dim, seed=seed1)
z2 = random_field(mdl, dim, seed=seed2)
fields = [z1, z2]

Config = {
    'root': {
        'type': 'decision',
        'func': ellipse,
        'args': {
            'key1': 'Z1',
            'key2': 'Z2',
            'cx': 0,
            'cy': 0,
            'sx': 2.6,
            'sy': 0.3
        },
        'yes_branch': 'phase1',
        'no_branch': 'phase0'
    },
    'phase0': {
        'type': 'leaf',
        'action': 0
    },
    'phase1': {
        'type': 'leaf',
        'action': 1
    },
}

tree_config = Config

tree = decision_tree()
tree.build_tree(tree_config)

L, P = plurigaussian_simulation(dim, tree, fields, ldim=500)

array_to_vtk(L, 'L')
array_to_vtk(P, 'P')

Documentation

Coming soon ...

License

MatEngine is made available under the MIT License, allowing for liberal reuse and modification for both academic and commercial purposes.

Contact

For support, feedback, or inquiries, please contact via email: [e-mail]