分子动力学模拟在C/SiC材料虚拟试验中的应用与展望

Application and Prospect of Molecular Dynamics Simulations in Virtual Test of C/SiC Material

随着以C/SiC为代表的陶瓷基复合材料的应用,高速飞行器性能得到快速提升。然而,C/SiC材料内部多尺度结构特征以及复杂的气动力、热、氧环境作用给基于虚拟试验的材料结构性能评估验证带来巨大挑战。分子动力学方法通过原子尺度建模,可以自下而上预测复杂环境下的材料行为。简要综述分子动力学方法以及在C/SiC材料模拟方面的进展,展望分子动力学模拟在支撑材料工艺改进、结构失效分析、虚拟试验技术发展等方面的应用前景。

With the applications of ceramic matrix composites such as C/SiC,performance of high speed vehicles is increasing fast.However,the multi-scale features of C/SiC,together with complex effects of aerodynamic force,high temperature and oxidation environments,bring great challenges for the property assessment and verification of materials and structures based on virtual test.Through atomic modeling,molecular dynamics can predict materials behaviors in complex environment from the bottom-up.This paper firstly reviewed the basic theory of molecular dynamics and it s recent progress in C/SiC simulations,and then discussed the prospects of molecular dynamics simulations on materials technology,structural failures analysis and development of virtual test technology.