基于分子动力学算法的材料拉伸虚拟仿真实验设计

The Design of the Material Stretch Virtual Simulation Experiment Based on Molecular Dynamics Algorithm

拉伸实验在材料力学教学过程中占有重要的地位,科学设计基于物理算法的教学辅助系统不但有助于丰富实验内容也有利于提高教学质量。基于铜的EAM嵌入原子势函数,采用分子动力学算法构建FCC结构铜单晶模型模拟铜的单轴拉伸实验,通过输出应力–应变曲线和三维可视化原子位置的演化、原子受力等数据直观向学生展示了铜拉伸过程中微观结构的变化。通过外推实验模型和极限实验条件,可丰富实验教学内容、提高教学质量、培养学生的创新意识和探索精神。

Material stretching experiment plays an important role in the teaching process of materials aes-thetics, and scientific design of teaching aids based on physical algorithms not only helps to enrich the experimental content but also helps to improve the quality of teaching. Based on the EAM embedded atomic potential function of copper, this paper simulates the single-axis extrusion experiment of copper by constructing the single crystal model of FCC structure using molecular dynamics algorithm, and shows the changes of microstructure in the process of copper extrusion by output stress-strain curve and three-dimensional visual atomic position evolution, atomic force and other data. Through extrapolated experimental model and extreme experimental conditions, we can enrich the experimental teaching content, improve the teaching quality, cultivate students’ innovative consciousness and exploration spirit.