Get started
Work

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

Year: 2026
Type: article
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.
DOI: 10.1103/wzrq-jx1k
Institutions: National Centre for Nuclear Research, Centre National de la Recherche Scientifique, École Polytechnique, Université de Lyon, Laboratoire Mécanique des Solides, Laboratoire de Mécanique des Contacts et des Structures, Institut National des Sciences Appliquées de Lyon, Aalto University
Language: English
Open Access status: green
Awards: G2159277593, G2165038271, G384101947, G434337789, G4724989785, G5699177366, G629666837, Centre of Excellence in Multifunctional Materials for Industrial and Medical Applications
OpenAlex ID: W7164897825
FWCI: 2.951
Cites: 70
Cited by: 6
Related to: 10