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A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets
  • ISSN号:1674-1056
  • 期刊名称:《中国物理B:英文版》
  • 时间:0
  • 分类:TG111.4[金属学及工艺—物理冶金;金属学及工艺—金属学] O647.1[理学—物理化学;理学—化学]
  • 作者机构:[1]State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China
  • 相关基金:Project supported by the National Natural Science Foundation of China (Grant No. 10772189) and the Knowledge Innovation . Program of Chinese Academy of Sciences.
中文摘要:

For the determination of surface tension of liquid droplets by molecular dynamics simulations,the most timeconsuming part is the calculation of pressure tensor in the transition layer,which makes it difficult to enhance the precision of the computation.A new method for the calculation of surface tension of liquid droplets to reduce the calculation quantity of pressure tensor in transition layer to the minimum is proposed in this paper.Two thousand particles are taken as example to show how to carry out our scheme.

英文摘要:

For the determination of surface tension of liquid droplets by molecular dynamics simulations, the most timeconsuming part is the calculation of pressure tensor in the transition layer, which makes it difficult to enhance the precision of the computation. A new method for the calculation of surface tension of liquid droplets to reduce the calculation quantity of pressure tensor in transition layer to the minimum is proposed in this paper. Two thousand particles are taken as example to show how to carry out our scheme.

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期刊信息
  • 《中国物理B:英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编:欧阳钟灿
  • 地址:北京 中关村 中国科学院物理研究所内
  • 邮编:100080
  • 邮箱:
  • 电话:010-82649026 82649519
  • 国际标准刊号:ISSN:1674-1056
  • 国内统一刊号:ISSN:11-5639/O4
  • 邮发代号:
  • 获奖情况:
  • 国内外数据库收录:
  • 被引量:406