分子动力学模拟辅助材料科学基础教学探索  

Explorations of Molecular Dynamics Simulations Assisting the Teaching of Fundamentals of Materials Science

作　　者：徐燕[1] 卢晓[1] 于昊[1] 杜惠平 杨泽 XU Yan;LU Xiao;YU Hao;DU Huiping;YANG Ze(College of Energy Storage Technology,Shandong University of Science and Technology,Qingdao Shandong 266590,China)

机构地区：[1]山东科技大学储能技术学院,山东青岛266590

出　　处：《江西化工》2025年第1期106-109,113,共5页Jiangxi Chemical Industry

基　　金：国家自然科学基金青年基金(32000922);山东省自然科学基金青年基金(ZR2024QC122);山东省本科教学改革研究项目(M2023040);山东科技大学教育教学研究“群星计划”项目(QX2024M47)。

摘　　要：材料科学基础是进行材料设计、制备及开发的基础,也是从事材料学研究的必备知识。本文针对材料科学基础课程的教学现状,结合计算机辅助材料学研究的前期基础,尝试将分子动力学模拟应用到材料科学基础教学过程中。首先,分析了材料科学基础教学过程中存在的问题并对分子动力学模拟进行了概述;然后详细阐述了如何利用分子动力学模拟辅助材料科学基础课程的教学过程,包括原子结构分布可视化辅助晶体结构学习、分子模拟轨迹辅助基本理论讲解以及通过模拟纳米材料在能源领域的应用,拓宽学生视野三个方面。这一方法将促进材料科学基础教学过程的现代化,并为其他相关学科提供新的教学策略。The fundamentals of materials science are the foundation for material design,preparation,and development,as well as essential knowledge for engaging in materials science research.In response to the current teaching situation of the Fundamentals of Materials Science course and based on the preliminary foundation of computer-assisted materials science research,this paper attempts to apply molecular dynamics(MD)simulations to the teaching process of materials science fundamentals.First,the existing problems in the teaching process of materials science fundamentals are analyzed,followed by an overview of molecular dynamics simulations.Next,the paper details how molecular dynamics simulations can assist the teaching process of materials science fundamentals,including:visualizing atomic structure distributions to aid in learning crystal structures,using molecular simulation trajectories to support explanations of basic theories,and expanding students’perspectives by simulating the applications of nanomaterials in the energy field.This approach will promote the modernization of materials science fundamentals teaching and provide new teaching strategies for other related disciplines.

关 键 词：材料科学基础教学 分子动力学模拟 教学策略 教学现代化 

分 类 号：G642[文化科学—高等教育学]