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Analysis of Nanoscale Heat Transport Using Non-Equilibrium Molecular Dynamics Simulation.

机译:使用非平衡分子动力学模拟分析纳米级传热。

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摘要

A Lennard-Jones gas confined by two parallel solid walls was studied using non-equilibrium Molecular Dynamics, where one-dimensional, steady heat flow was introduced through the gas. Under this condition, the velocity distribution in the direction of heat flow was found to develop skewness and the kurtosis was shown to increase with increasing gas density. In contrast, orthogonal velocity distributions presented no skewness but kurtosis was also found to deviate from equilibrium values. Analysis of statistics conditioned by the sign of molecular velocity showed that the difference in kinetic energy resulted in heat transfer. A proposed adiabatic feedback kurtosis controller, referred to as a kurtostat, manipulates velocity using a differential velocity scaling technique. This controller was used in a test setup to push the gas out of equilibrium without introducing heat flow, and it was found that velocity kurtoses were not independent but weakly coupled with a steady-state gain of approximately 0:16.
机译:使用非平衡分子动力学研究了由两个平行固体壁限制的Lennard-Jones气体,其中一维稳定热流通过该气体。在这种条件下,发现沿热流方向的速度分布出现偏斜,并且峰度显示为随着气体密度的增加而增加。相反,正交速度分布没有偏斜,但是峰度也偏离了平衡值。以分子速度的符号为条件的统计分析表明,动能的差异导致了热传递。提出的绝热反馈峰度控制器,称为kurtostat,使用差速缩放技术来控制速度。在测试设置中使用了该控制器,以在不引入热流的情况下将气体推至不平衡状态,发现速度kurtoses不是独立的,而是与大约0:16的稳态增益弱耦合的。

著录项

  • 作者

    Teo, Choon Ngan.;

  • 作者单位

    University of Alberta (Canada).;

  • 授予单位 University of Alberta (Canada).;
  • 学科 Engineering Chemical.;Nanoscience.
  • 学位 M.S.
  • 年度 2012
  • 页码 82 p.
  • 总页数 82
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 老年病学;
  • 关键词

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