液态锂在α-Fe (100)表面滑移特性的分子动力学研究*

doi:10.7523/j.ucas.2024.047

摘要/Abstract

摘要： 液态锂（Li）在核聚变试验装置中有着广泛的应用,然而有关液态Li在固体材料表面的滑移特性尚没有得到充分研究。本文采用分子动力学方法模拟了液态Li在α-铁（Fe）纳米通道中的Couette流动,分析了三角形表面粗糙单元对液态Li在α-Fe (100)表面滑移特性的影响。结果表明三角形两侧角度对滑移长度的影响并不显著,但是存在一个临界角度,当三角形两侧角度超过该临界值时,液态Li会在三角形前侧形成微尺度旋涡,显著增加流动阻力,进而引起滑移长度的突然大幅下降;三角形高度对滑移长度具有更加显著的影响,且同样存在一个临界高度,只有当三角形高度超过临界值时才会形成旋涡,否则无论如何改变三角形的角度都不会在三角形附近形成旋涡;温度对于临界角度和临界高度都有一定的影响,随着温度的升高,临界角度和高度都呈下降趋势。

关键词: 分子动力学, 液态锂, Couette流动, 滑移长度

Abstract: Liquid lithium (Li) has a wide range of applications in nuclear fusion test devices, but the slip characteristics of liquid Li on the surface of solid materials have not been fully studied. In this paper, the Couette flow of liquid Li in α-iron (Fe) nanochannels was simulated by molecular dynamics method, and the effect of triangular surface roughness units on the slip characteristics of liquid Li on the surface slip characteristics of α-Fe (100) was analyzed. The results show that the influence of the angle on both sides of the triangle on the slip length is not significant, but there is a critical angle, when the angle on both sides of the triangle exceeds the critical value, the liquid Li will form a microscale vortex on the front side of the triangle, which significantly increases the flow resistance, and then causes a sudden and large decrease in the slip length, the critical angle and height are on a downward trend.

Key words: molecular dynamics, liquid lithium, Couette flow, slip length

中图分类号:

屈怀远, 余新刚. 液态锂在α-Fe (100)表面滑移特性的分子动力学研究^*[J]. 中国科学院大学学报, DOI: 10.7523/j.ucas.2024.047.

QU Huaiyuan, YU Xingang. Molecular dynamics study of the slip properties of liquid lithium on α-Fe (100) surface[J]. Journal of University of Chinese Academy of Sciences, DOI: 10.7523/j.ucas.2024.047.

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液态锂在α-Fe (100)表面滑移特性的分子动力学研究^*

Molecular dynamics study of the slip properties of liquid lithium on α-Fe (100) surface

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