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Article Dans Une Revue Journal of Non-Crystalline Solids Année : 2023

Exploring the impact of cooling rates and pressure on fragility and structural transformations in iron monatomic metallic glasses: Insights from molecular dynamics simulations

Résumé

In this study, we investigate Fe metallic glass under pressures from 0 to 20 GPa and cooling rates of 5 × 1012 to 1014 K/s using molecular dynamics (MD) simulations with an embedded-atom potential (EAM). Increasing pressure enhances brittleness, indicating a higher barrier energy for the glass transition. Higher pressures narrow the glass transition region, resulting in a shorter relaxation range. At pressures above 10 GPa, especially with a cooling rate of 5 × 1012 K/s, crystal nucleation is promoted, and short-range order strengthens, primarily body-centered cubic structure (bcc) clusters. Certain pressure-cooling rate combinations show significant increments. Pressure affects density and interatomic distance, while cooling rate changes have minimal effects.
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Dates et versions

hal-04232197 , version 1 (07-10-2023)

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Soufiane Assouli, Hicham Jabraoui, Tarik El Hafi, Omar Bajjou, Abdelhadi Kotri, et al.. Exploring the impact of cooling rates and pressure on fragility and structural transformations in iron monatomic metallic glasses: Insights from molecular dynamics simulations. Journal of Non-Crystalline Solids, 2023, 621, pp.122623. ⟨10.1016/j.jnoncrysol.2023.122623⟩. ⟨hal-04232197⟩
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