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arXiv 1607.05950cond-mat.mtrl-sciphysics.chem-ph
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Zr基上物理气相沉积制备Cu单组分非晶的分子动力学模拟

Molecular dynamics simulation of fabrication of Cu mono-component metallic glass by physical vapor deposition on Zr substrate

Yang Yu, Yunyun Chen, Fenping Cui

摘要:

采用经典分子动力学模拟方法,在100 K下,在Zr(0001)晶体衬底上通过物理气相沉积制备了单组分Cu金属玻璃。在Cu(100)和Ni(100)晶体衬底上进行相同的沉积工艺以进行比较,仅可以获得具有fcc结构的Cu晶体沉积层。在300 K时,Cu原子沉积在Zr衬底上,形成了晶态结构,表明除了合适的衬底外,低温也是非晶结构形成的关键因素。本文还模拟了Cu液在2000 ~ 100 K温度范围内以1012 K/s的冷却速率淬火形成Cu玻璃薄膜的过程。两种不同工艺(物理气相沉积和液相快速热淬)制备的Cu金属玻璃具有相同的径向分布函数和X射线衍射图谱,但配位数和Voronoi镶嵌分析显示其微观结构不同。

英文摘要:

In this work, the single-component Cu metallic glass was fabricated by the physical vapor deposition on the Zr (0001) crystal substrate at 100 K using the classical molecular dynamic simulation. The same deposition process was performed on the Cu (1 0 0) and Ni (1 0 0) crystal substrate for comparison, only the Cu crystal deposited layer with the fcc structure can be obtained. When depositing the Cu atoms on the Zr substrate at 300 K, the crystal structure was formed, which indicates that except the suitable substrate, low temperature is also a key factor for the amorphous structure formation. The Cu liquid quenching from 2000 K to 100 K were also simulated with the cooling rate 1012 K/s to form the Cu glass film in this work. The Cu metallic glass from the two different processes (physical vapor deposition and rapid thermal quenching from liquid) revealed the same radial distribution function and X-ray diffraction pattern, but the different microstructure from the coordination number and Voronoi tessellation analysis.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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