Linear-superelastic Ti-Nb nanocomposite alloys with ultralow modulus via high-throughput phase-field design and machine learning

作     者：Yuquan Zhu Tao Xu Qinghua Wei Jiawei Mai Hongxin Yang Huiran Zhang Takahiro Shimada Takayuki Kitamura Tong-Yi Zhang 

作者机构：Materials Genome InstituteShanghai UniversityShanghai 200444China Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China School of Computer Engineering and ScienceShanghai UniversityShanghai 200444China Department of Mechanical Engineering and ScienceKyoto UniversityNishikyo-kuKyoto 615-8540Japan 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2021年第7卷第1期

页      面：1897-1906页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0701[理学-数学] 0812[工学-计算机科学与技术（可授工学、理学学位）] 0801[工学-力学（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：The work is supported by the National Key R&D Program of China(No.2018YFB0704404) the National Natural Science Foundation of China(Grant Nos.11802169 and 12172370) 

主　　题：alloys modulus phase 

摘      要：The optimal design of shape memory alloys(SMAs)with specific properties is crucial for the innovative application in advanced ***,inspired by the recently proposed design concept of concentration modulation,we explore martensitic transformation(MT)in and design the mechanical properties of Ti-Nb nanocomposites by combining high-throughput phase-field simulations and machine learning(ML)*** phase-field simulations generate data of the mechanical properties for various nanocomposites constructed by four macroscopic degrees of *** ML-assisted strategy is adopted to perform multiobjective optimization of the mechanical properties,through which promising nanocomposite configurations are prescreened for the next set of phase-field *** ML-guided simulations discover an optimized nanocomposite,composed of Nb-rich matrix and Nb-lean nanofillers,that exhibits a combination of mechanical properties,including ultralow modulus,linear superelasticity,and near-hysteresis-free in a loading-unloading *** exceptional mechanical properties in the nanocomposite originate from optimized continuous MT rather than a sharp first-order transition,which is common in typical *** work demonstrates the great potential of ML-guided phase-field simulations in the design of advanced materials with extraordinary properties.