Preprint Review Version 1 Preserved in Portico This version is not peer-reviewed

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

Version 1 : Received: 19 August 2024 / Approved: 19 August 2024 / Online: 19 August 2024 (17:16:47 CEST)

How to cite: Li, N.; Hao, Z.; Xu, L.; Tang, M.; Wei, L.; Li, S.; Wang, L. A Review of Molecular Dynamics Simulation of Different Ti-Al Based Alloys. Preprints 2024, 2024081390. https://doi.org/10.20944/preprints202408.1390.v1 Li, N.; Hao, Z.; Xu, L.; Tang, M.; Wei, L.; Li, S.; Wang, L. A Review of Molecular Dynamics Simulation of Different Ti-Al Based Alloys. Preprints 2024, 2024081390. https://doi.org/10.20944/preprints202408.1390.v1

Abstract

Ti-Al based alloys, particularly TiAl and Ti3Al two-phase 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. The review highlights the unique capabilities of MD simulations in predicting the behavior of Ti-Al based alloys and addresses existing scientific challenges. Furthermore, the article discusses future research directions and development prospects in this field.

Keywords

Ti-Al based alloys; structural materials; molecular dynamics; material data

Subject

Chemistry and Materials Science, Metals, Alloys and Metallurgy

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