从教学角度解读分子动力学模拟在金属玻璃黏弹性力学中的应用  

A PEDAGOGICAL PERSPECTIVE ON THE APPLICATION OF MOLECULAR DYNAMICS SIMULATIONS TO VISCOELASTIC MECHANICS OF METALLIC GLASSES

作　　者：吕国建 赵思瑾 乔吉超 LYU Guojian;ZHAO Sijin;QIAO Jichao(School of Mechanics and Civil Engineering&Architecture,Northwestern Polytechnical University,Xi’an 710072,China)

机构地区：[1]西北工业大学力学与土木建筑学院,西安710072

出　　处：《力学与实践》2024年第6期1298-1302,共5页Mechanics in Engineering

基　　金：国家自然科学基金(51971178,52301219);陕西省杰出青年基金(2021JC-12);中央高校基本科研业务费专项资金(5000230147)资助。

摘　　要：从教学的角度出发,解读分子动力学(molecular dynamics,MD)模拟在金属玻璃黏弹性力学行为中的应用。采用MD模拟从原子尺度分析金属玻璃的微观结构,为深入理解金属玻璃黏弹性行为等提供了新的视角。蠕变、应力松弛以及动态滞后等是黏弹性材料的典型特征,其在金属玻璃中均可以归为弛豫行为,即亚稳态的原子构型在外力刺激下向稳态或另一个亚稳态跃迁的过程。借助MD模拟在典型CuZr金属玻璃体系中研究这3类的黏弹性算例,让学生更好地理解金属玻璃黏弹性力学的微观行为特征,提高学生对该领域知识的理解和掌握能力。This paper interprets the application of molecular dynamics(MD) simulations to the viscoelastic mechanical behavior of metallic glasses from a pedagogical point of view.The use of MD simulations to analyze the microstructure of metallic glass from the atomic scale provides a new perspective for a deeper understanding of the viscoelastic behavior of metallic glass.Creep,stress relaxation,and dynamic hysteresis are typical features of viscoelastic materials,which can be classified as relaxation behavior in metallic glasses,i.e.,the process in which a sub-stable atomic configuration jumps to the steady state or another sub-stable state under the stimulation of external force.In this paper,the viscoelastic cases of these three classes are investigated with the help of MD simulations in a typical CuZr metallic glass,so that students can better understand the microscopic behavioral characteristics of viscoelastic mechanics of metallic glasses and improve their understanding and mastery of knowledge in this field.

关 键 词：分子动力学模拟 金属玻璃 黏弹性力学 教学解读 

分 类 号：O345[理学—固体力学]