...
首页> 外文期刊>Physical review >Diffusion in a Cu-Zr metallic glass studied by microsecond-scale molecular dynamics simulations
【24h】

Diffusion in a Cu-Zr metallic glass studied by microsecond-scale molecular dynamics simulations

机译:微秒尺度分子动力学模拟研究Cu-Zr金属玻璃中的扩散

获取原文
获取原文并翻译 | 示例
           

摘要

Icosahedral short-range order (ISRO) has been widely accepted to be dominant in Cu-Zr metallic glasses (MGs). However, the diffusion mechanism and correlation of ISRO and medium-range order (MRO) to diffusion in MGs remain largely unexplored. Here, we perform a long time annealing up to 1.8 μs in molecular dynamics simulations to study the diffusion mechanism and the relationship between atomic structures and the diffusion path in a Cu_(64.5)Zr_(35.5) MG. It is found that most of the diffusing events performed by the diffusing atoms are outside ISRO and the Bergman-type MRO. The long-range diffusion in MGs is highly heterogeneous, via collective diffusing events through the liquidlike channels in the glass. Our results clearly demonstrate a strong correlation between the atomic structures and transport in MGs.
机译:二十面体短程有序(ISRO)在Cu-Zr金属玻璃(MGs)中占主导地位。然而,在MGs中的扩散机理以及ISRO和中程级(MRO)与扩散的相关性仍未得到充分探索。在这里,我们在分子动力学模拟中进行了长达1.8μs的长时间退火,以研究Cu_(64.5)Zr_(35.5)MG中的扩散机理以及原子结构与扩散路径之间的关系。发现由扩散原子进行的大多数扩散事件都在ISRO和Bergman型MRO之外。 MG中的远程扩散是高度异质的,这是通过玻璃中类似液体的通道的集体扩散事件引起的。我们的结果清楚地表明了MG中原子结构与传输之间的密切相关性。

著录项

  • 来源
    《Physical review》 |2015年第18期|180201.1-180201.5|共5页
  • 作者单位

    Ames Laboratory, U.S. DOE, Iowa State University, Ames, Iowa 50011, USA;

    Ames Laboratory, U.S. DOE, Iowa State University, Ames, Iowa 50011, USA,Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA;

    Ames Laboratory, U.S. DOE, Iowa State University, Ames, Iowa 50011, USA;

    Ames Laboratory, U.S. DOE, Iowa State University, Ames, Iowa 50011, USA;

    Ames Laboratory, U.S. DOE, Iowa State University, Ames, Iowa 50011, USA,Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA;

    Ames Laboratory, U.S. DOE, Iowa State University, Ames, Iowa 50011, USA,Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    diffusion in solids; electrical and thermal conduction in amorphous and liquid metals and alloys;

    机译:固体中的扩散;非晶态和液态金属及合金中的导电和导热;

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号