MICRESS®Benchmark of Early-Stage Growth from Liquid State – pyiron Workflow

This repository contains a Jupyter notebook (Workflow.ipynb) designed to demonstrate how to run MICRESS simulations using the pyiron workflow management tool. The benchmark focuses on modeling early-stage microstructure growth from the liquid state.

Prerequisites

Before starting, ensure that MICRESS is installed on your system. MICRESS is commercial software and must be obtained separately from the MICRESS website.

Installation

1. Install pyiron by following the instructions provided in the pyiron documentation. This process will guide you through setting up a conda environment that includes pyiron and its dependencies.
2. After installing pyiron, add the MicPy package by running the following command: pip install micress-micpy

Usage

1. Clone this repository and navigate to the cloned directory.
2. Inside the templates folder, locate the MICRESS input file template (.j2) that corresponds to your version of MICRESS.
3. Copy the selected file into the directory where Workflow.ipynb is located, and rename it to input.dri.j2.
4. Open Workflow.ipynb in your Jupyter environment to run the workflow.