摘要
随着计算机性能的显著提高,应用分子动力学模拟研究微晶玻璃体系,有助于深入研究微晶玻璃的性能和推动玻璃产业的发展。文章概述了分子动力学的发展历史、基本原理,阐述了分子动力学中的有限差分算法和势函数,综述了近年来基于分子动力学模拟获得的关于微观网络结构和微晶玻璃研究中的成果,并展望了微晶玻璃研究过程中分子动力学模拟的发展方向。
With the improvement of computer performance,the application of molecular dynamics simulation to the study of glass-ceramics system is helpful to explore the properties of glass-ceramics and promote the development of glass industry.This paper introduces the development history and basic principle of molecular dynamics,expounds the finite difference algorithm and potential function in molecular dynamics,summarizes the results obtained in recent years of microstructure and glass-ceramics based on molecular dynamics simulation,and prospects the development direction of molecular dynamics simulation in the study of glass-ceramics.
作者
李杨
井敏
武吉伟
刘立强
LI Yang;JING Min;WU Jiwei;LIU Liqiang(School of Material Science and Engineering, Shandong Jianzhu University, Jinan 250101, China;National Supervision and Inspection Center for Packaging Product Quality, Jinan 250100, China)
出处
《山东建筑大学学报》
2021年第2期82-87,共6页
Journal of Shandong Jianzhu University
关键词
分子动力学模拟
微晶玻璃
应用
molecular dynamics simulation
glass-ceramics
application
作者简介
李杨(1993-),男,在读硕士,主要从事分子动力学模拟等方面的研究,E-mail:1183359919@qq.com;通讯作者:井敏(1979-),女,副教授,博士,主要从事新型建筑材料等方面的研究,E-mail:shandajingm@163.com。
