Efficient sampling method for multi-component ZrCu(Al) metallic glasses
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arXiv
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| Autori principali: | , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2023
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| _version_ | 1866912638701666304 |
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| author | Kaskosz, Filip Alvarez-Donado, Rene Alava, Mikko Parmar, Anshul D. S. Bonfanti, Silvia |
| author_facet | Kaskosz, Filip Alvarez-Donado, Rene Alava, Mikko Parmar, Anshul D. S. Bonfanti, Silvia |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2309_05806 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Efficient sampling method for multi-component ZrCu(Al) metallic glasses Kaskosz, Filip Alvarez-Donado, Rene Alava, Mikko Parmar, Anshul D. S. Bonfanti, Silvia Disordered Systems and Neural Networks Materials Science 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. |
| title | Efficient sampling method for multi-component ZrCu(Al) metallic glasses |
| topic | Disordered Systems and Neural Networks Materials Science |
| url | https://arxiv.org/abs/2309.05806 |