In this study, firstly favorable glass–forming composition for the binary Co–Ni alloy is identified as Co₅₀Ni₅₀ based on statistically evaluated thermodynamic parameters such as mixing enthalpy (∆H_mix), mixing entropy (∆S_mix), and topological parameter such as atomic size difference (δ). Secondly, molecular dynamics (MD) simulations have been performed to investigate the glass–forming ability (GFA) and cluster evolution during the rapid solidification (7.67 K/ps) of Co₅₀Ni₅₀ under hydrostatic pressure (0, 0.25, 0.50, 1, 1.25, 2, 3, 5 GPa). It has been observed that with increasing pressure, glass transition temperature (T_g) also increases thereby increasing the GFA of Co₅₀Ni₅₀. Moreover, Voronoi cluster analysis reveals that quasi–icosahedral type clusters such as <0281> and <0282>, mixed types of cluster such as <0363>, <0364>, <1254>, and <0372> and crystal type clusters such as <0443> and <0444> have maximum population among the other clusters at different pressures at Co as well as Ni-centered atoms.

中文翻译：

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使用原子模拟对Co50Ni50金属玻璃在加压冷却过程中的结构演变进行动态探测。

在这项研究中，首先基于统计评估的热力学参数，例如混合焓（∆H _mix），混合熵（∆S _mix）和拓扑结构，确定了二元Co-Ni合金的有利玻璃形成成分为Co ₅₀ Ni ₅₀。原子尺寸差（δ）等参数。其次，已经进行了分子动力学（MD）模拟以研究在静水压（0，0.25，0.50，1 ）下Co ₅₀ Ni ₅₀快速凝固（7.67 K / ps）期间的玻璃形成能力（GFA）和团簇演化。，1.25、2、3、5 GPa）。已经观察到，随着压力的增加，玻璃化转变温度（T _g）也增加，从而增加了Co ₅₀ Ni ₅₀的GFA 。此外，Voronoi聚类分析还显示了准二十面体类型的聚类，例如<0281>和<0282>，混合类型的聚类，例如<0363>，<0364>，<1254>和<0372>，以及晶体类型的聚类，例如<0443>和<0444>在Co和Ni中心原子在不同压力下在其他簇中具有最大的填充量。