文献类型：期刊文献

英文题名：Efficient phase-field simulation for linear superelastic NiTi alloys under temperature gradients

作者：Xu, Tao[1];Wang, Chunyu[2];Zhu, Yuquan[3];Wang, Yu[1];Yan, Yabin[2];Wang, Jie[4,5];Shimada, Takahiro[1];Kitamura, Takayuki[1]

机构：[1]Kyoto Univ, Dept Mech Engn & Sci, Nishikyo ku, Kyoto 6158540, Japan;[2]East China Univ Sci & Technol, Key Lab Pressure Syst & Safety, Minist Educ, Shanghai 200237, Peoples R China;[3]Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China;[4]Astronaut Zhejiang Univ, Sch Aeronaut, Dept Engn Mech, Hangzhou 310027, Peoples R China;[5]Zhejiang Lab, Hangzhou 311100, Zhejiang, Peoples R China

年份：2023

卷号：259

外文期刊名：INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES

收录：;EI(收录号：20232814379924);WOS:【SCI-EXPANDED(收录号:WOS:001041803700001)】；

基金：The work is supported by the National Natural Science Foundation of China (Grant Nos. 12172370, 12272338, 12192214, and 52275149), Natural Science Foundation of Zhejiang Provincial (Grant No. LY22E020012), Natural Science Foundation of Ningbo City (Grant No. 2022J295), Zhejiang Lab Open Research Project (Grant No. K2022PE0AB06), Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, JSPS KAKENHI (Grant Numbers JP18H05241, JP20H05653, JP20H02027, JP21K18673), JSPS International Research Fellow (No. P22065), National Program on Key Basic Research Project (Grant No. 2022YFB3807601) and the Key Research Project of Zhejiang Laboratory (No. 2021PE0AC02).

语种：英文

外文关键词：Binary alloys - Compressive strength - Degrees of freedom (mechanics) - Elastic moduli - Engineering education - Shape-memory alloy - Thermal gradients - Titanium alloys

摘要：Engineering the martensitic transformation (MT) with exceptional and controllable properties is essential for the innovative application of shape memory alloys (SMAs) in advanced technologies. Herein, we combine high-throughput (HTP) phase-field simulations and machine learning approaches to propose the concept of "temperature-controlled mechanics" and demonstrate that it is possible to design NiTi alloys with outstanding mechanical properties that integrate ultra-low modulus, linear superelasticity, and no hysteresis in environments with temperature gradients. These nontrivial mechanical properties originate from continuous variations in the critical stress for the MT, which contributes to a gradual and continuous MT rather than a sharp first-order transition as occurs in common SMAs. An active learning workflow based on uncertainty sampling is employed to guide phase-field simulations to efficiently clarify and optimize the temperature in the environment for different NiTi alloys with the desired properties. Furthermore, the SISSO (Sure Independence Screening and Sparsifying Operator) algorithm is applied to the datasets from the HTP simulations to establish an explicit expression for the Young's modulus, which is verified by additional phase-field simulations and is instructive for the inverse design of the temperature field. The present study not only provides fundamental insights into the effects of temperature gradients on MTs and overall mechanical properties, but also offers a promising computational approach for developing advanced materials with extraordinary properties.