High-Throughput Method–Accelerated Design of Ni-Based Superalloys
点击次数：
影响因子：
19.0
DOI码：
10.1002/adfm.202109367
所属单位：
中南大学粉末冶金研究院, 中南大学交通运输工程学院，南洋理工大学机械与航天工程学院
发表刊物：
Advanced Functional Materials
项目来源：
中国国家重点研究与发展计划（2016YFB0701404），中国国家自然科学基金（NSFC）（91860105）&（52074366），中国博士后科学基金会（2019M662799），中南大学创新驱动计划的青年人才项目（2019XZ027），中国山东主要科技创新项目（2019JZZY010325），长沙市自然科学基金（kq2014126）
关键字：
Alloy design, Creep resistance, High-throughput methods, Microstructure stability, Unsupervised machine learning
摘要：
Ever-increasing demands for superior alloys with improved high-temperature service properties require accurate design of their composition. However, conventional approaches to screen the properties of alloys such as creep resistance and microstructural stability cost a lot of time and resources. This work therefore proposes a novel high throughput-based design strategy for high-temperature alloys to accelerate their composition selections, by taking Ni-based superalloys as an example. A numerical inverse method is used to massively calculate the multielement diffusion coefficients based on an accurate atomic mobility database. These coefficients are subsequently employed to refine the physical models for tuning the creep rates and structural stability of alloys, followed by unsupervised machine learning to categorize their composition and determine the range of the composition with optimal performance. By using a strict screening criterion, two sets of composition with comprehensively optimal properties are selected, which is then validated by experiments. Compared with recent data-driven methods for materials design, this strategy exhibits high accuracy and efficiency attributed to the high-throughput multicomponent diffusion couples, self-developed atomic mobility database, and refined physical models. Since this strategy is independent of the alloy composition, it can efficiently accelerate the development of multicomponent high-performance alloys and tackle challenges in discovering novel materials.
合写作者：
Zexin Wang, Zi Wang, Jing Zhong, Lei Zhao, Liang Jiang, Runhua Zhou, Yong Liu, Yujia Tian, 郑涵, Qihong Fang, Lijun Zhang, Lina Zhang, 吴宏
第一作者：
Feng Liu
论文类型：
Article
通讯作者：
Lan Huang, 谭黎明, 白利春, Kun Zhou
学科门类：
工学
一级学科：
冶金
卷号：
32
期号：
28
ISSN号：
1616-301X
是否译文：
否
学位：博士学位
职称：副研究员
学科：材料科学与工程
所在单位：粉末冶金研究院