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author：

ZHANG, Chu-bo (ZHANG, Chu-bo.) [1] | QIAN, Cheng (QIAN, Cheng.) [2] | YE, Zi-an (YE, Zi-an.) [3] | ZHAO, Pan-hong (ZHAO, Pan-hong.) [4] | CHEN, Rong (CHEN, Rong.) [5] | WU, Bo (WU, Bo.) [6] | QIAO, Yang (QIAO, Yang.) [7] | WENG, Liang-ji (WENG, Liang-ji.) [8] | SU, Long-ju (SU, Long-ju.) [9] | XIE, Tian-liang (XIE, Tian-liang.) [10] | SA, Bai-sheng (SA, Bai-sheng.) [11] | LIU, Yu (LIU, Yu.) [12] | WANG, Chun-xu (WANG, Chun-xu.) [13]

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EI Scopus

Abstract：

In　order　to　understand　the　influence　of　ordering　behaviors　on　the　thermodynamic　and　mechanical　properties　of　multi-principal　element　alloys　(MPEAs),　the　temperature-dependent　thermodynamic　properties　and　mechanical　properties　of　FCC_CoNiV　MPEAs　were　comparatively　predicted,　where　the　alloys　were　modeled　as　the　ordered　configurations　based　on　our　previously　predicted　site　occupying　fractions　(SOFs),　as　well　as　disordered　configuration　based　on　traditional　special　quasi-random　structure　(SQS).　The　ordering　behavior　not　only　improves　the　thermodynamic　stability　of　the　structure,　but　also　increases　the　elastic　properties　and　Vickers　hardness.　For　example,　at　973　K,　the　predicted　bulk　modulus　(B),　shear　modulus　(G),　Young＇s　modulus　(E),　and　Vickers　hardness　(HV)　of　FCC_CoNiV　MPEA　based　on　SOFs　configuration　are　187.82,　79.03,　207.93,　and　7.58　GPa,　respectively,　while　the　corresponded　data　are　172.58,　57.45,　155.14,　and　4.64　GPa　for　the　SQS　configuration,　respectively.　The　Vickers　hardness　predicted　based　on　SOFs　agrees　considerably　well　with　the　available　experimental　data,　while　it　is　underestimated　obviously　based　on　SQS.　©　2025　The　Nonferrous　Metals　Society　of　China

Keyword：

Elastic moduli Shear flow Temperature Thermodynamic stability Vickers hardness

Community：

  • [ 1 ] [ZHANG, Chu-bo]Materials Design and Manufacture Simulation Facility, School of Advance Manufacturing, Fuzhou University, Jinjiang; 362200, China
  • [ 2 ] [QIAN, Cheng]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 3 ] [YE, Zi-an]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 4 ] [ZHAO, Pan-hong]Materials Design and Manufacture Simulation Facility, School of Advance Manufacturing, Fuzhou University, Jinjiang; 362200, China
  • [ 5 ] [CHEN, Rong]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 6 ] [WU, Bo]Materials Design and Manufacture Simulation Facility, School of Advance Manufacturing, Fuzhou University, Jinjiang; 362200, China
  • [ 7 ] [WU, Bo]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 8 ] [QIAO, Yang]Materials Design and Manufacture Simulation Facility, School of Advance Manufacturing, Fuzhou University, Jinjiang; 362200, China
  • [ 9 ] [WENG, Liang-ji]Materials Design and Manufacture Simulation Facility, School of Advance Manufacturing, Fuzhou University, Jinjiang; 362200, China
  • [ 10 ] [SU, Long-ju]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 11 ] [XIE, Tian-liang]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 12 ] [SA, Bai-sheng]Multiscale Computational Materials Facility & Materials Genome Institute, School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China
  • [ 13 ] [LIU, Yu]Institute of High Temperature Alloy, Central Iron & Steel Research Institute Group, Beijing; 100081, China
  • [ 14 ] [WANG, Chun-xu]Institute of High Temperature Alloy, Central Iron & Steel Research Institute Group, Beijing; 100081, China

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Source ：

Transactions of Nonferrous Metals Society of China (English Edition)

ISSN： 1003-6326

Year： 2025

Issue： 7

Volume： 35

Page： 2320-2331

4 . 7 0 0

JCR@2023

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ESI Highly Cited Papers on the List： 0 Unfold All

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