yifan-henry-cao/cSRO_lattice: NatComm_release

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Authors: Yifan Cao
Cited by: 1

Abstract

Initial Public Release This repository accompanies our work "On the Nature of Chemical Short-Range Order Evolution" and provides: Trained machine-learning potentials (MLPs) for the Cr–Co–Ni system. Representative atomistic simulation datasets from Monte Carlo (MC) and molecular dynamics (MD) simulations. Source code for reproducing Figures 3–4 of the main manuscript and Supplementary Figures 8–15. The atom-type mapping used throughout the repository is: {0: Cr, 1: Co, 2: Ni}. Additional simulation data may be made available upon reasonable request.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
1 June 2026