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

    Filip Kaśkosz1, Rene Alvarez-Donado2,3, Mikko Alava4, Anshul D. S. Parmar1, and Silvia Bonfanti1,*

    • *Contact author: Silvia.Bonfanti@ncbj.gov.pl

    Phys. Rev. E 114, 014117 – Published 13 July, 2026

    DOI: https://doi.org/10.1103/wzrq-jx1k

    Abstract

    We investigate multicomponent 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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