Molecular Dynamics Study on the Mechanism of Nanoparticle Phase Change Caused by Collision with Wall Surface

  • LI Jiawei ,
  • WANG Guanbang ,
  • ZHANG Xinrong
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  • 1. Department of Energy and Resources Engineering, College of Engineering, Peking University, Beijing 100871, China
    2. Beijing Engineering Research Center of City Heat, Peking University, Beijing 100871, China

Online published: 2023-12-01

Supported by

The support of National Natural Science Foundation of China (Grant No. 51776002) and the support from Beijing Engineering Research Center of City Heat are gratefully acknowledged.

Copyright

Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer Nature 2022

Abstract

The collision between the nanoparticle and wall surface is supposed to cause the escape of nanoparticle molecules which indicates the potential phase change of the nanoparticle. It is significant to understand the mechanism of the collision process involved with phase change for applications of nanoparticles in energy and mass transfer. In this study, the collision process between nanoparticle made of monatomic argon molecule and wall surface made of nickel metal crystal is simulated by molecular dynamics method. The travelling behavior and energy transformation of escaped molecules are respectively analyzed. The effects of the intermolecular force and initial temperature on the collision process are further discussed. The results show that the nanoparticle can be accelerated by the wall surface with the intermolecular force and finally collide with it. The molecules escape from the nanoparticle either by bouncing off the wall surface or the intermolecular energy exchange with the energy transformation between the potential energy and kinetic energy. The molecules far from the nanoparticle center are more likely to escape, while the velocity distributions of the escaped molecules follow the Maxwell distribution. More escaped molecules, namely higher phase change potential, are observed with lower intermolecular force and higher initial temperature. As a fundamental study on nanoparticle phase change in the vicinity of wall surface, the present investigation will be helpful for further study on the heat transfer characteristics and phase change mechanisms of nanoparticles.

Cite this article

LI Jiawei , WANG Guanbang , ZHANG Xinrong . Molecular Dynamics Study on the Mechanism of Nanoparticle Phase Change Caused by Collision with Wall Surface[J]. Journal of Thermal Science, 2022 , 31(4) : 1145 -1154 . DOI: 10.1007/s11630-022-1664-z

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