Atomic structure evolution of Zr-Ni during severe deformation by HA pair analysis

Y. C. Lo; J. C. Huang; S. P. Ju; X. H. Du

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Atomic structure evolution of Zr-Ni during severe deformation by HA pair analysis

机译：HA对分析中Zr-Ni严重变形原子结构的演变

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The gradual vitrification evolution of atom mixing and local atomic pairing structure of the binary Zr-Ni alloy during severe deformation at room temperature is traced numerically by molecular dynamic simulation. It is found that the icosahedra clusters will gradually develop with the increasing of disorder environment of alloys. Other compoundlike transition structures were also observed in transient in the Zr-Ni couple during the solid-state amorphization process under severe plastic deformation. Since the time scale of the molecular dynamic simulation is several orders of magnitude shorter than reality, the simulated atomic evolution can be viewed as that would occur at ultrahigh strain rates.

机译：通过分子动力学数值模拟了二元Zr-Ni合金在室温下剧烈变形过程中原子混合和局部原子配对结构的逐步玻璃化演化。发现随着合金无序环境的增加，二十面体团簇将逐渐发展。在固态塑性变形过程中，在严重塑性变形下，Zr-Ni偶合中也观察到了其他类似化合物的过渡结构。由于分子动力学模拟的时间尺度比实际时间短几个数量级，因此可以将模拟的原子演化视为在超高应变速率下发生。

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来源
《Physical review》 |2007年第2期|024103.1-024103.6|共6页
作者
Y. C. Lo; J. C. Huang; S. P. Ju; X. H. Du;
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作者单位

Institute of Materials Science and Engineering;

Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University,Kaohsiung, Taiwan 804, Republic of China;

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原文格式 PDF
正文语种 eng
中图分类固体物理学;
关键词
amorphous semiconductors; metals; and alloys; computer simulation of molecular and particle dynamics;

机译：非晶半导体;金属;和合金;分子和粒子动力学的计算机模拟;

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Atomic structure evolution of Zr-Ni during severe deformation by HA pair analysis

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