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首页> 外文会议>PRICM 7;Pacific Rim International Conference on Advanced Materials and Processing >Local Atomic Arrangements of Pd-Based Bulk Metallic Glasses of the Metal-Metalloid Type Demonstrated by Molecular Dynamics Simulations
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Local Atomic Arrangements of Pd-Based Bulk Metallic Glasses of the Metal-Metalloid Type Demonstrated by Molecular Dynamics Simulations

机译：通过分子动力学模拟证明金属-金属型钯基大块金属玻璃的局部原子排列

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Molecular dynamics (MD) simulations based on a plastic crystal model (PCM) were performed for a Pdo.4Nio.4Po2 alloy in Metal-Metalloid (M-MLD) type of bulk metallic glass (BMG). Two kinds of clusters of cubeoctahedron capped with four half-octahedra and trigonal prism were used as initial atomic arrangements of the Pdo.4Nio.4Po2 alloy. Random rotations of clusters around their centers of gravity and subsequent structural relaxation vitrified the alloy. The high glass-forming ability of the Pdo.4Nio.4Po2 alloy is due to the critically-percolated, cluster-packed structure that is a universal feature for both M-MLD and M-M types of BMGs.
机译：对金属-金属（M-MLD）型大块金属玻璃（BMG）中的Pdo.4Nio.4Po2合金，执行了基于塑性晶体模型（PCM）的分子动力学（MD）模拟。 Pdo.4Nio.4Po2合金的初始原子排列使用两种簇簇的八面体的四面体和四个半八面体和三棱柱覆盖。团簇围绕其重心的随机旋转和随后的结构弛豫使合金玻璃化。 Pdo.4Nio.4Po2合金具有很高的玻璃形成能力，这是由于临界渗滤的簇堆积结构是M-MLD和M-M类型的BMG的通用特征。

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