gitpetrol / microtex

MicroTEX

MicroTEX is a package for material microstructure and microtexture simulations.

Description

The package contains several classes to simulate the evolution of symplectic microstructure, particularly it contains solvers for several models of exsolution in binary solid solution. To be able to understand what is going under the hood and to be able to create or customize your model you should to know the basics of scientific Python stack, e.g., NumPy, SciPy, Matplotlib, Numba packages.

Features

• The Cahn-Hilliard 2D (phase-field model of spinodal decomposition).
  • Spectral method
  • Finite difference method
• The Ising lattice model 2D (mean-field model of spinodal decomposition).

Install

Before the installation, you should create and activate the virtual environment! You can create a virtual environment with venv module or with help of conda.

The venv module is distributed with Python by default on Windows but on Ubuntu you have to install it by yourself as an separate package, search for python3-venv package.

Install directly from the git repository.

pip install git+https://github.com/gitpetrol/microtex

or clone and install the package with

git clone git+https://github.com/gitpetrol/microtex
pip install thesis-prf-bs

For development, clone the repository and install the package in editable mode with additional development packages.

pip install -e ".[test, lint, notebook]"

The editable mode is MUST for running notebook in VS Code! Notebooks can be very large after execution, be sure that the size is reduced before push (restart notebook and maybe empty cells).

Chek the size of files (Powerbash):

git ls-tree -r -l --abbrev --full-name HEAD | Sort-Object {[int]($_ -split "\s+")[3]} | Select-Object -last 10

See this StackOverflow answers.

Execute

microtex <options + flags>

The initial settings for simulations can be loaded from specified input file folder and the outputs can be saved specified output folder.When using a package you must specify these folders with command options --input (-i) and --output (-o).

microtext -i path/to/input/file -o path/to/output/folder