不同钛铝基合金的分子动力学模拟综述

IF 2.6 3区材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Metals Pub Date : 2024-09-06 DOI:10.3390/met14091018

Ningning Li, Zhenjie Hao, Lei Xu, Mingqi Tang, Leyu Wei, Lifei Wang

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引用次数: 0

摘要

钛-铝基合金，尤其是两相钛-铝和钛-3-铝合金，因其在高温下的低密度、抗氧化性和高强度等优异性能，作为各种高温结构材料的潜在替代品而备受关注。尽管具有这些优点，但在复杂条件下对钛铝基合金微观结构演变的实验研究仍然具有挑战性，难以观察和表征。这篇综述文章探讨了当前对钛铝基合金分子动力学 (MD) 模拟的研究，重点关注两相钛铝合金、钛铝非晶合金、钛铝复合材料以及钛铝合金的焊接和多层/薄膜应用。这篇综述强调了 MD 模拟在预测钛铝基合金行为方面的独特能力，并探讨了现有的科学挑战。此外，本文还讨论了该领域未来的研究方向和发展前景。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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

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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来源期刊

Metals MATERIALS SCIENCE, MULTIDISCIPLINARY-METALLURGY & METALLURGICAL ENGINEERING

CiteScore

4.90

自引率

13.80%

发文量

1832

审稿时长

1.5 months

期刊介绍： Metals (ISSN 2075-4701) is an open access journal of related scientific research and technology development. It publishes reviews, regular research papers (articles) and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Metals provides a forum for publishing papers which advance the in-depth understanding of the relationship between the structure, the properties or the functions of all kinds of metals.