单晶Al3Ti拉伸与剪切变形的分子动力学模拟  

Molecular Dynamic Simulation of Tensile and Shear Deformation of Al3Ti Single Crystal

作　　者：熊震 刘晓波[1] Xiong Zhen;Liu Xiaobo(School of Aeronautical Manufacturing Engineering,Nanchang Hangkong University)

机构地区：[1]南昌航空大学航空制造工程学院

出　　处：《特种铸造及有色合金》2020年第3期266-270,共5页Special Casting & Nonferrous Alloys

基　　金：江西省研究生创新专项资金资助项目(YC2018-S366)。

摘　　要：采用分子动力学方法研究单晶Al3Ti模型的拉伸和剪切力学性能。模拟Al3Ti在常温、恒定应变速率下的拉伸和剪切变形过程,讨论了温度和应变速率对体系拉伸和剪切性能的影响。结果表明,Al3Ti室温下很脆,弹性变形阶段结束后在短时间内体系产生的孔洞和位错迅速发展导致材料破坏。温度升高会导致Al3Ti的抗拉强度、杨氏模量、剪切强度和切变模量降低;应变速率增大能提高材料的拉伸和剪切强度,但不影响杨氏模量和切变模量大小。The tensile and shear behaviors of Al3Ti single crystal were analyzed by molecular dynamic method.The deformation processes of Al3Ti were simulated at room temperature and constant strain rate,and the effects of temperature and strain rate on the tensile and shear properties of the system were described.The results reveal that Al3Ti shows brittle characteristics at room temperature,and the rapid development of voids and dislocations produced by Al3Ti in a short period of time after the elastic deformation stage is responsible for material failure.With the increase of temperature,mechanical properties of the single crystal Al3Ti,such as tensile strength and Young’s modulus,shear strength and shear modulus,are decreased,while with the increase of strain rate,the tensile strength and shear strength of the Al3Ti are improved,and the Young’s modulus and shear modulus are independent.

关 键 词：分子动力学 AL3TI 力学性能 温度 应变率 

分 类 号：TG146.23[一般工业技术—材料科学与工程] TP311[金属学及工艺—金属材料]