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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.
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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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