Influence of cooling rate and pressure on the structural and mechanical properties of iron monatomic metallic glasses: Insights from molecular dynamics simulations

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications Pub Date : 2025-02-22 DOI:10.1016/j.ssc.2025.115883

Soufiane Assouli , Tarik El Hafi , Abdelaziz El Kharraz , Omar Bajjou , Youssef Lachtioui

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Abstract

This study investigates the mechanical and structural properties of monoatomic iron metallic glasses under various cooling rates and pressures using a molecular dynamics simulation combined with the Embedded Atom Method potential. By examining the glass transition temperature (T_g), radial distribution function, and Voronoi polyhedra analysis, we elucidated the influence of cooling rates (5 × 10¹² - 5 × 10¹³ K/s) and pressures (0–10 GPa) on the formation and stability of the amorphous structure. Our results demonstrate that higher cooling rates and pressures lead to increased T_g, enhanced atomic packing density, and more pronounced short-range order. Mechanical tensile tests reveal that ultimate strength decreases with increasing cooling rates, while elastic modulus shows a complex dependency on both cooling rate and pressure. The findings provide insights into optimizing the mechanical properties of bulk metallic glasses through controlled cooling and pressure application.

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来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.