Molecular Dynamic Simulation of the Liquid and Amorphous Solid Phase in Al and Fe Mono-Atomic Systems

机译：Al和Fe单原子体系中液相和非晶态固相的分子动力学模拟

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A molecular dynamics simulation has been performed to studied the structure of Al and Fe at different temperatures in a frame of a microcanonical ensemble. The interaction among atoms has been modelled with the embedded atom method. The short range order has been study using the radial distribution function, the bond angle distribution function and the Honeycutt-Andersen indexing method was used for analyse the cluster type formed. Different kinds of clusters were found, although it was observed that icosahedral or quasi-icosahedral clusters increase as the temperature decreases.

机译：进行了分子动力学模拟，以研究微规范集合框架中不同温度下的Al和Fe的结构。原子之间的相互作用已使用嵌入式原子方法建模。使用径向分布函数，键角分布函数和Honeycutt-Andersen索引方法研究了短程有序，以分析形成的簇类型。尽管观察到二十面体或准二十面体簇随着温度降低而增加，但发现了不同种类的簇。

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《International Symposium on Metastable, Mechanically Alloyed and Nanocrystalline Materials(ISMANAM 2003); 20030824-20030828; Foz do Lguacu; BR》|2003年|P.629-634|共6页
会议地点 Foz do Iguacu(BR);Foz do Iguacu(BR)
作者
F. Saporiti; F. Audebert; S. Gabbanelli;
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作者单位

Grupo de Materiales Avanzados, Facultad de Ingenierfa, Universidad de Buenos Aires, Paseo Colon 850, Buenos Aires (C1063ACV), Argentina;

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会议组织
原文格式 PDF
正文语种 eng
中图分类材料结构及物理性质;
关键词
amorphous; icosahedral order; liquid; molecular dynamics simulation;

机译：非晶；二十面体级；液体；分子动力学模拟;

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Molecular Dynamic Simulation of the Liquid and Amorphous Solid Phase in Al and Fe Mono-Atomic Systems

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