The search for advanced materials has been the main preoccupation of materials scientists for the past years. Binary Re-W metallic glasses (MGs) are very promising candidates for many applications requiring good mechanical proprieties. Molecular Dynamics (MD) simulations with the embedded atom method (EAM) potential have been devoted to investigate the behavior of these materials by exploring their local atomic structure by means of various techniques such as the radial distribution function (RDF), the Voronoi Tessellation Analysis (VTA) and the coordination number (CN). The results showed a splitting in the second peak of RDFs indicating the formation of Re-W metallic glasses. The VTA method showed that the <0,1,10,2> icosahedral Voronoi cluster is the major short-range unit in Re-W MGs. The icosahedral-like cluster abundance is proposed as a measure of vitrification which has been shown to be promoted by the increase of W content. The coordination number analysis showed the existence of transition from low- to high-coordinated atoms occurring at the glass transition temperature. These simulated structural properties were used mainly to study the glass transition temperature T_g using different methods, including the Wendt-Abraham method which is considered as a reference method. Essentially, we suggest the intersection between low- and high-coordinated atom populations to be a measure of T_g.

在过去的几年中，寻找高级材料一直是材料科学家的主要工作重点。二进制Re-W金属玻璃（MGs）在许多要求良好机械性能的应用中非常有前途。借助嵌入原子方法（EAM）势的分子动力学（MD）模拟已致力于通过各种技术（例如径向分布函数（RDF），Voronoi镶嵌分析）探索材料的局部原子结构，从而研究这些材料的行为。 （VTA）和协调编号（CN）。结果表明，RDF的第二个峰出现分裂，表明形成了Re-W金属玻璃。VTA方法表明，<0,1,10,2>二十面体Voronoi簇是Re-W MG中的主要短程单元。提出了二十面体状团簇丰度作为玻璃化的一种措施，已证明可通过增加W含量来促进。配位数分析表明在玻璃化转变温度下存在从低配位原子到高配位原子的转变。这些模拟的结构特性主要用于研究玻璃化转变温度T_g使用不同的方法，包括被认为是参考方法的Wendt-Abraham方法。本质上，我们建议低配位和高配位的原子总体之间的交集可以作为T _g的量度。