High-throughput studies and machine learning for design of β titanium alloys with optimum properties

IF 4.7 1区材料科学 Q1 METALLURGY & METALLURGICAL ENGINEERING

Transactions of Nonferrous Metals Society of China Pub Date : 2024-10-01 DOI:10.1016/S1003-6326(24)66602-1

Wei-min CHEN , Jin-feng LING , Kewu BAI , Kai-hong ZHENG , Fu-xing YIN , Li-jun ZHANG , Yong DU

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引用次数: 0

Abstract

Based on experimental data, machine learning (ML) models for Young’s modulus, hardness, and hot-working ability of Ti-based alloys were constructed. In the models, the interdiffusion and mechanical property data were high-throughput re-evaluated from composition variations and nanoindentation data of diffusion couples. Then, the Ti−(22±0.5)at.%Nb−(30±0.5)at.%Zr−(4±0.5)at.%Cr (TNZC) alloy with a single body-centered cubic (BCC) phase was screened in an interactive loop. The experimental results exhibited a relatively low Young’s modulus of (58±4) GPa, high nanohardness of (3.4±0.2) GPa, high microhardness of HV (520±5), high compressive yield strength of (1220±18) MPa, large plastic strain greater than 30%, and superior dry- and wet-wear resistance. This work demonstrates that ML combined with high-throughput analytic approaches can offer a powerful tool to accelerate the design of multicomponent Ti alloys with desired properties. Moreover, it is indicated that TNZC alloy is an attractive candidate for biomedical applications.

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利用高通量研究和机器学习设计具有最佳性能的 β 钛合金

根据实验数据，构建了钛基合金的杨氏模量、硬度和热加工能力的机器学习（ML）模型。在模型中，根据成分变化和扩散耦合的纳米压痕数据，高通量地重新评估了相互扩散和机械性能数据。然后，在互动循环中筛选出具有单体心立方（BCC）相的钛-（22±0.5）%铌-（30±0.5）%锆-（4±0.5）%铬（TNZC）合金。实验结果表明，该合金的杨氏模量相对较低，为 (58±4) GPa；纳米硬度较高，为 (3.4±0.2) GPa；显微硬度较高，为 HV (520±5)；抗压屈服强度较高，为 (1220±18) MPa；塑性应变较大，大于 30%；耐干、湿磨损性能优越。这项工作表明，ML 与高通量分析方法相结合，可为加速设计具有所需性能的多组分钛合金提供强有力的工具。此外，研究还表明 TNZC 合金是生物医学应用的理想候选材料。

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来源期刊

Transactions of Nonferrous Metals Society of China 工程技术-冶金工程

CiteScore

7.40

自引率

17.80%

发文量

8456

审稿时长

3.6 months

期刊介绍： The Transactions of Nonferrous Metals Society of China (Trans. Nonferrous Met. Soc. China), founded in 1991 and sponsored by The Nonferrous Metals Society of China, is published monthly now and mainly contains reports of original research which reflect the new progresses in the field of nonferrous metals science and technology, including mineral processing, extraction metallurgy, metallic materials and heat treatments, metal working, physical metallurgy, powder metallurgy, with the emphasis on fundamental science. It is the unique preeminent publication in English for scientists, engineers, under/post-graduates on the field of nonferrous metals industry. This journal is covered by many famous abstract/index systems and databases such as SCI Expanded, Ei Compendex Plus, INSPEC, CA, METADEX, AJ and JICST.