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author:

Qian, C. (Qian, C..) [1] | Zhang, X. (Zhang, X..) [2] | Chen, X. (Chen, X..) [3] | Su, L. (Su, L..) [4] | Chen, R. (Chen, R..) [5] | Wen, J. (Wen, J..) [6] | Wu, B. (Wu, B..) [7]

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Scopus

Abstract:

Lightweight high-entropy alloys (LHEAs) with low density and high strength are considered to be the next generation of lightweight materials. Al-Cr-Mo-Ti-based LHEAs, in particular, have gained intensive attention due to their excellent mechanical properties and high-temperature oxidation resistance. This study investigates the lattice distortion, mechanical properties, and surface oxidation mechanism of BCC_AlCrMoTi and AlCrMoTiV LHEAs based on site preference. The relative lattice distortions of BCC_AlCrMoTi and AlCrMoTiV LHEAs were calculated to be 4.78% and 6.12%, respectively, with corresponding hardness values of 628.50 HV and 553.20 HV. The results indicate that the addition of V exacerbates lattice distortion, thereby inducing the alloy softening. Surface oxygen adsorption energy calculations demonstrate significant variations at hollow sites, with Ti and V atoms exhibiting stronger adsorption. As surface oxygen coverage increases, the work function of both alloys increases gradually. Notably, the BCC_AlCrMoTiV LHEA consistently exhibits higher surface work function and average adsorption energy, suggesting that the addition of V reduces the surface oxidation activity. Analysis of the electronic structure reveals the shift in adsorption sites of O atoms and the reduced capacity for successive O atom adsorption. This study provides valuable insights for the mechanical properties and oxidation behaviors of Al-Cr-Mo-Ti-based LHEAs. © 2025 Elsevier B.V.

Keyword:

Lattice distortion Lightweight high-entropy alloys (LHEAs) Mechanical properties Oxidation mechanism Site occupying fractions (SOFs)

Community:

  • [ 1 ] [Qian C.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 2 ] [Zhang X.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 3 ] [Chen X.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 4 ] [Su L.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 5 ] [Chen R.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 6 ] [Wen J.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 7 ] [Wu B.]Multiscale Computational Materials Facility & Materials Genome Institute, College of Materials Science and Engineering, Fuzhou University, Fuzhou, 350100, China
  • [ 8 ] [Wu B.]Materials Design and Manufacture Simulation Facility, School of Advance Manufacturing, Fuzhou University, Jinjiang, 362200, China

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Source :

Surfaces and Interfaces

ISSN: 2468-0230

Year: 2025

Volume: 72

5 . 7 0 0

JCR@2023

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ESI Highly Cited Papers on the List: 0 Unfold All

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Chinese Cited Count:

30 Days PV: 0

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