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Updated: Jul 2, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Published on: September 17, 2021

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热交换统计学分子动力学模拟的挑战

Jonathan J Wang1, Matthew Gerry2, Dvira Segal1,2

  • 1Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 Saint George St., Toronto, Ontario M5S 3H6, Canada.

The Journal of chemical physics
|February 21, 2024
PubMed
概括

在分子连接处的热交换模拟显示了标准恒温器实现的问题. 使用单原子恒温器纠正了热交换统计数据,使热传输中的噪声能够进行准确的分析.

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Just as interesting as the effects of heat transfer on a system are the methods by which the heat transfer occur. Whenever there is a temperature difference, heat transfer occurs. It may occur rapidly, such as through a cooking pan, or slowly, such as through the walls of a picnic ice box. So many processes involve heat transfer that it is hard to imagine a situation where no heat transfer occurs. Yet, every heat transfer takes place by only three methods: conduction, convection, and radiation.
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