Published April 22, 2024 | Version v1.0.1
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Om-COS: Cation ordering simulator for omphacite

  • 1. Tohoku University

Description

Om-COS is a set of Python routines to simulate antiphase domain (APD) growth in metastable disordered omphacite. Based on a phenomenological phase-field approach with a Landau expansion of the excess free energy, these scripts allow to calculate ordered domain growth in a 2D/3D space. We can also simulate corresponding transmission electron microscope images for the calculated phase fields by setting a brightness curve against the degree of long range order. This should be a useful tool to properly interpret both the cation ordering process and temporal changes of APD size/morphology in natural omphacites from low-temperature eclogites.

Files

Ryo-fkushima/Om-COS-v1.0.1.zip

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