中国科学:技术科学(英文版)2024,Vol.67Issue(4) :1124-1132.DOI:10.1007/s11431-023-2589-3

Sparse identification-assisted exploration of the atomic-scale deformation mechanism in multiphase CoCrFeNi high-entropy alloys

XIAO Lu GUO XiaoXiang SUN YuTong WANG Gang LONG WeiMin LIAW Peter K. REN JingLi
中国科学:技术科学(英文版)2024,Vol.67Issue(4) :1124-1132.DOI:10.1007/s11431-023-2589-3

Sparse identification-assisted exploration of the atomic-scale deformation mechanism in multiphase CoCrFeNi high-entropy alloys

XIAO Lu 1GUO XiaoXiang 1SUN YuTong 2WANG Gang 3LONG WeiMin 4LIAW Peter K. 5REN JingLi1
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作者信息

  • 1. School of Mathematics and Statistics,Zhengzhou University,Zhengzhou 450001,China
  • 2. Academy of Mathematics and Systems Science,Chinese Academy of Sciences,Beijing 100190,China
  • 3. Institute of Materials,Shanghai University Shanghai 200444,China
  • 4. SKL of Advanced Brazing Metals & Technology,Zhengzhou Research Institute of Mechanical Engineering,Zhengzhou 450001,China
  • 5. Department of Materials Science and Engineering,The University of Tennessee,Knoxville,TN 37996,USA
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Abstract

This study investigated the atomic-scale deformation mechanism of multiphase CoCrFeNi high-entropy alloys(HEAs)at liquid helium,liquid nitrogen,and room temperatures.A million-atom multiphase HEA was prepared using molecular dynamics simulation involving melt and quench processes.The HEA exhibited high-density dislocations and some twins,consistent with experimental observations.Quantitative analysis revealed an inconsistent evolution of the microstructure under tensile de-formation.In particular,the elastic and initial plastic stages exhibited an increase in the disordered structure at the expense of the face-centered cubic and hexagonal close-packed structures,followed by a subsequent transformation involving multiple structural rearrangements.Furthermore,through sparse identification,a model depicting microstructural evolution during ten-sion was extracted for the CoCrFeNi HEA at three typical temperatures and three tensile rates.The model highlighted the importance of the body-centered cubic structure in the evolutionary process.

Key words

high-entropy alloy/data-driven method/microstructure evolution/multiphase structure/molecular dynamics simulation

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基金项目

国家自然科学基金(U23A2065)

国家自然科学基金(52071298)

国家自然科学基金(51971123)

国家自然科学基金(DMR-1611180)

国家自然科学基金(1809640)

出版年

2024
中国科学:技术科学(英文版)
中国科学院

中国科学:技术科学(英文版)

CSTPCDEI
影响因子:1.056
ISSN:1674-7321
参考文献量45
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