We investigate multi-component metallic glass systems using a hybrid Molecular Dynamics (MD) and Variance-Constrained Semi-Grand Canonical approach. This method enables us to generate samples with properties consistent with experimental observations, at deeply supercooled states that are typically inaccessible with conventional MD simulations. Using a realistic interatomic potential, we investigate the dynamics, kinetic stability, and rheology of a ZrCuAl metallic glass, together with the widely studied ZrCu system, in the low-temperature glassy regime, specifically, for ZrCu below its experimental glass-transition temperature. Our results demonstrate how the hybrid method enhances relaxation and provides a generic framework for modeling realistic complex metallic glasses in close agreement with experimental observations.
@article{arxiv.2309.05806,
title = {Efficient sampling method for multi-component ZrCu(Al) metallic glasses},
author = {Filip Kaskosz and Rene Alvarez-Donado and Mikko Alava and Anshul D. S. Parmar and Silvia Bonfanti},
journal= {arXiv preprint arXiv:2309.05806},
year = {2025}
}
Comments
5 pages, supplementary information added to the end of the manuscript, version revised according to referees' remarks