A Review of Molecular Dynamics Simulation of Different Ti-Al-Based Alloys

被引：2
作者：
Li, Ningning [1 ,2 ]
Hao, Zhenjie [1 ,2 ]
Xu, Lei [1 ,2 ]
Tang, Mingqi [1 ,2 ]
Wei, Leyu [1 ,2 ]
Wang, Lifei [3 ]
机构：
[1] North China Univ Water Resources & Elect Power, Sch Mat Sci & Engn, Zhengzhou 450045, Peoples R China
[2] Henan Engn Res Ctr Special Mat & Applicat Water Co, Zhengzhou 450045, Peoples R China
[3] Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Peoples R China
来源：
METALS | 2024年 / 14卷 / 09期
基金：
中国博士后科学基金;
关键词：
Ti-Al-based alloys; structural materials; molecular dynamics; material data; HIGH-ENTROPY ALLOYS; PHASE-TRANSFORMATIONS; MECHANICAL-PROPERTIES; SELF-DIFFUSION; DEFORMATION; LIQUID; FRACTURE; ENHANCEMENT; TRANSITION; STABILITY;
D O I：
10.3390/met14091018
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Ti-Al-based alloys, particularly two-phase TiAl and Ti3Al alloys, have garnered significant attention as potential replacements for various high-temperature structural materials due to their exceptional properties, including low density, oxidation resistance, and high strength at elevated temperatures. Despite these advantages, experimental studies on the microstructure evolution of Ti-Al-based alloys under complex conditions remain challenging to observe and characterize. This review article examines the current research on molecular dynamics (MD) simulations of Ti-Al-based alloys, focusing on two-phase Ti-Al alloys, Ti-Al amorphous alloys, Ti-Al composite materials, and the welding and multi-layer/film applications of Ti-Al alloys. This review highlights the unique capabilities of MD simulations in predicting the behavior of Ti-Al-based alloys and addresses existing scientific challenges. Furthermore, this article discusses future research directions and development prospects in this field.
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页数：16
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