“Innovation Training to Material Simulation and Computation” Course Case Design and Practice

GAO Yang-yang; ZHAO Xiu-ying

doi:10.14028/j.cnki.1003-3726.2026.26.010

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“Innovation Training to Material Simulation and Computation” Course Case Design and Practice

更新时间：2026-04-30

- “Innovation Training to Material Simulation and Computation” Course Case Design and Practice
- Polymer Bulletin Vol. 39, Issue 5, Pages: 862-866(2026)
- 作者机构：
  
  北京化工大学先进弹性体研究中心　北京 100029
- 作者简介：
- 基金信息：
- DOI：10.14028/j.cnki.1003-3726.2026.26.010
  CLC：
- Received：07 January 2026，
  
  Accepted：27 January 2026，
  
  Online First：09 April 2026，
  
  Published：20 May 2026
- 稿件说明：
移动端阅览
高洋洋, 赵秀英. “材料模拟与计算创新实训”课程案例设计与实践. 高分子通报, 2026, 39(5), 862–866.

Gao, Y. Y.; Zhao, X. Y. “Innovation training to material simulation and computation” course case design and practice. Polym. Bull. (in Chinese), 2026, 39(5), 862–866.
高洋洋, 赵秀英. “材料模拟与计算创新实训”课程案例设计与实践. 高分子通报, 2026, 39(5), 862–866. DOI： 10.14028/j.cnki.1003-3726.2026.26.010.

Gao, Y. Y.; Zhao, X. Y. “Innovation training to material simulation and computation” course case design and practice. Polym. Bull. (in Chinese), 2026, 39(5), 862–866. DOI： 10.14028/j.cnki.1003-3726.2026.26.010.

摘要

“材料模拟与计算”课程分为基础理论教学与创新实训教学。在基础理论教学内容方面，知识点相对理论性强且具有一定的抽象性，学生完全掌握具有一定困难。而创新实训教学正是通过设计一些重要的高分子材料模拟实践案例，将抽象复杂的理论知识与实际应用案例结合起来。这里以硅橡胶热导率模拟计算为例，通过软件工具构建硅橡胶材料原子模型，采用反向非平衡分子动力学模拟方法施加热流，建立稳定的温度场，基于傅里叶方程计算硅橡胶材料的热导率。结果发现学生对模拟知识理解与实践操作更深入，有效改善了教学效果。

Abstract

The course of “Material Simulation and Computation” is divided into basic theoretical teaching and innovative training teaching. In terms of basic theoretical teaching content

the knowledge points are relatively theoretical and have a certain degree of abstraction

making it difficult for students to fully grasp them. Innovative training section combines abstract and complex theoretical knowledge with practical application cases by designing important polymer material simulation practice cases. The simulation calculation of thermal conductivity of silicone rubber is taken as an example. A software tool is used to construct an atomic model of silicone rubber material. The reverse non-equilibrium molecular dynamics simulation method is used to analyze heat flow

establish a stable temperature field

and calculate the thermal conductivity of silicone rubber material based on Fourier equation. As a result

it is found that students have a deeper understanding and practical operation of simulated knowledge

effectively improving teaching effectiveness.

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references

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