Molecular dynamics simulation on the phase change of argon molecules between two plates in a wide range of temperature v
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DOI 10.1007/s12206-020-0824-x
Journal of Mechanical Science and Technology 34 (9) 2020 Original Article DOI 10.1007/s12206-020-0824-x Keywords: · Molecular dynamics simulations · Phase change · Wide temperature variation · Parallel plates
Molecular dynamics simulation on the phase change of argon molecules between two plates in a wide range of temperature variation Youngjin Kim and Man Yeong Ha
Correspondence to: Man Yeong Ha [email protected]
Citation: Kim, Y., Ha, M. Y. (2020). Molecular dynamics simulation on the phase change of argon molecules between two plates in a wide range of temperature variation. Journal of Mechanical Science and Technology 34 (9) (2020) 3721~3734. http://doi.org/10.1007/s12206-020-0824-x
Received April 13th, 2020 Revised
June 29th, 2020
Accepted July 2nd, 2020 † Recommended by Editor Chang-Soo Han
School of Mechanical Engineering, Pusan National University, Busan 46241, Korea
Abstract
Understanding the complex physical mechanisms of phase change phenomena such as solidification, evaporation and condensation at the nanoscale depending on the temperature variation in a wide range is very important. This study carried out molecular dynamics simulation to investigate the motion of the argon molecules and their phase changes between the bottom cold and top hot walls whose temperatures cover a wide range of variation from the freezing temperature to the supercritical temperature. The motion of argon molecules and their corresponding final phases of solid, liquid, liquid-gas and supercritical fluid formed in the domain depend on the temperature values at the bottom cold and top hot walls, and were classified into seven different processes. The characteristics of final phases of solid, liquid, liquid-gas and supercritical fluid were analyzed by using the radial distribution function, the surfaceaveraged temperature distribution along the vertical direction and the volume-averaged temperature in the domain for different phases of argon molecules obtained at the final stage of the non-equilibrium simulation. Furthermore, the time history of the average density of argon molecules at the upper domain has also been reported.
1. Introduction
© The Korean Society of Mechanical Engineers and Springer-Verlag GmbH Germany, part of Springer Nature 2020
Micro- and nanoscale products are widely used owing to the rapid development of science and technology. The applications and technologies with phase changes on the micro- and nanoscale, such as energy storage [1-3], pattern formation [4], laser cleaning [5], and ultrashort-pulsed laser [6], have attracted increasing attention. In addition, the thermal management technology concerning high heat flux in limited volumes, such as two-phase cooling microchannel [7-9], micro heat pipe [10], CHF enhancement technique [11], and film cooling technique [12], has been developed and applied to many different industrial areas. Currently, the difference between the heat transfer mechanisms on the macroscale and nanoscale is not understood fully, despite its g
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