中国物理B ›› 2006, Vol. 15 ›› Issue (3): 610-617.doi: 10.1088/1009-1963/15/3/028

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Investigation on quenching at a high-angle Cu grain boundary on an atomic scale

张林1, 叶恒强2, 王绍青3   

  1. (1)College of Science, Northeastern University, Shenyang 110004, China; (2)Shenyang National Laboratory for Materials Science, Institute of Metal Research,Chinese Academy of Sciences, Shenyang 110016, China; (3)Shenyang National Laboratory for Materials Science, Institute of Metal Research,Chinese Academy of Sciences, Shenyang 110016, China
  • 收稿日期:2005-06-16 修回日期:2005-09-21 出版日期:2006-03-20 发布日期:2006-03-20
  • 基金资助:
    Project supported by the Special Foundation for State Major Basic Research Program of China (Grant No G2000067104)

Investigation on quenching at a high-angle Cu grain boundary on an atomic scale

Zhang Lin (张林)a, Wang Shao-Qing (王绍青)b, Ye Heng-Qiang (叶恒强)b   

  1. a College of Science, Northeastern University, Shenyang 110004, China; b Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
  • Received:2005-06-16 Revised:2005-09-21 Online:2006-03-20 Published:2006-03-20
  • Supported by:
    Project supported by the Special Foundation for State Major Basic Research Program of China (Grant No G2000067104)

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摘要： We have performed molecular dynamics simulations of structural changes due to quenching the melting interface at a Cu $\Sigma $5(310)/[001] symmetrical tilt grain boundary. The simulation results suggest that the grain boundary structures due to quenching are different from those due to heating up to the same temperature. The calculated atom density profiles show that the grain boundary structures can be significantly changed as they are quenched to quite low temperatures.

关键词: molecular dynamics, solidification, crystal, interface

Abstract: We have performed molecular dynamics simulations of structural changes due to quenching the melting interface at a Cu $\Sigma $5(310)/[001] symmetrical tilt grain boundary. The simulation results suggest that the grain boundary structures due to quenching are different from those due to heating up to the same temperature. The calculated atom density profiles show that the grain boundary structures can be significantly changed as they are quenched to quite low temperatures.

Key words: molecular dynamics, solidification, crystal, interface

中图分类号:  (Grain and twin boundaries)

  • 61.72.Mm
61.72.Bb (Theories and models of crystal defects)