航空材料学报2024，Vol.44Issue(2)：87-103,17.DOI:10.11868/j.issn.1005-5053.2023.000205
航空发动机钛合金分子动力学计算技术研究进展
Research progress of molecular dynamic calculation on titanium alloys for aero-engine
摘要
Abstract
With the improvement of thrust-to-weight ratio and other properties of future aero-engine,the high temperature mechanical property and structural stability of titanium alloy components are required.The limitation of traditional experiments in time and space scale has become increasingly prominent,and it is difficult to deeply study the microscopic transient phenomena and mechanisms.Moreover,the molecular dynamics(MD)calculation method takes the atomic/molecular model as the calculation object,on the basis of Newton classical mechanics and empirical parameters,the calculation efficiency is greatly improved compared with the quantum calculation method.Therefore,MD has become an important method to optimize the process parameters and calculate the microstructure properties of aero-engine titanium alloy.Based on an overview of the basic principle of MD computing space and time scale advantages,this paper reviews the relevant domestic and foreign achievements in the study of molding,microstructure characterization and performance testing of aero-engine titanium alloys by MD method in recent years,as well as representative conclusions that contribute to the improvement of high temperature resistance of aero-engine titanium alloys.关键词
航空发动机钛合金/分子动力学技术/分子力场/模拟计算Key words
titanium alloy for aero-engine/molecular dynamics/molecular force field/numerical calculation分类
矿业与冶金引用本文复制引用
弭光宝,孙若晨,吴明宇,谭勇,邱越海,李培杰,黄旭..航空发动机钛合金分子动力学计算技术研究进展[J].航空材料学报,2024,44(2):87-103,17.基金项目
国家自然科学基金"叶企孙"科学基金(U2141222) （U2141222）
国家科技重大专项(J2019-Ⅷ-0003-0165) （J2019-Ⅷ-0003-0165）
中国航发自主创新专项(CXPT-2022-034) （CXPT-2022-034）
