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arXiv · 2309.05806

Transmutation-accelerated sampling method for multi-component ZrCu(Al) metallic glasses

Filip Kaskosz·Rene Alvarez-Donado·Mikko Alava·Anshul D. S. Parmar·Silvia Bonfanti
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Abstract

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 ZrCu(Al) metallic glass, together with the widely studied ZrCu system, in the low-temperature glassy regime. Our results demonstrate how the hybrid method enhances relaxation and provides a generic framework for modeling realistic complex metallic glasses.

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Filip Kaskosz, Rene Alvarez-Donado, Mikko Alava, Anshul D. S. Parmar, Silvia Bonfanti. 2023-09-11. Transmutation-accelerated sampling method for multi-component ZrCu(Al) metallic glasses. https://arxiv.org/abs/2309.05806

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