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基于原子择优占位的高熵合金方法论系列论文列表汇总,敬请翻阅指正,共同提高

基于原子择优占位的高熵合金(或多主元合金)方法论系列论文列表,敬请翻阅,批评指正,共同推进高熵合金(多主元合金)学术繁荣,走向技术应用。


1. Wu, B.; Zhao, Y.; Ali, H.; et al. A reasonable approach to describe the atom distributions and configurational entropy in high entropy alloys based on site preference. Intermetallics 2022, 144, 107489, DOI:10.1016/j.intermet.2022.107489.

2. Chen, R.; Xie, T.; Wu, B.; et al. A general approach to simulate the atom distribution, lattice distortion, and mechanical properties of multi-principal element alloys based on site preference: Using FCC_CoNiV and CoCrNi to demonstrate and compare. Journal of Alloys and Compounds 2023, 935, 168016, DOI:10.1016/j.jallcom.2022.168016.

3. Weng, L.; Su, L.; Xu, N.; et al. The preferred adsorption sites and catalytic mechanism of FCC_CoFeGaNiZn multi-principal element alloy for oxygen evolution reaction catalysis based on site preference of constituent atom on sublattice. Intermetallics 2024, 165, DOI:10.1016/j.intermet.2023.108132.

4. Weng, L.; Zhang, X.; Su, L.; et al. Prediction of the catalytic mechanism of hydrogen evolution reaction enhanced by surface oxidation on FCC_CoCrFeNi and Co0.35Cr0.15Fe0.2Mo0.1Ni0.2 multi-principal element alloys based on site preference. Applied Surface Science 2024, 672, DOI:10.1016/j.apsusc.2024.160730.

5. Su, L.; Que, H.; Qian, C.; et al. Prediction of oxygen evolution reaction activity of FCC_CoCuFeNiPd and CoCuFeNiRu multi-principal element alloys based on sublattice preference of constituent atoms and the site preference of intermediates. Physical Chemistry Chemical Physics 2025, 27, 22064-22081, DOI:10.1039/d5cp02461g.

6. Zhang, C.-b.; Qian, C.; Ye, Z.-a.; et al. Influence of ordering behaviors on thermodynamic and mechanical properties of FCC_CoNiV multi-principal element alloys. Transactions of Nonferrous Metals Society of China 2025, 35, 2320-2331, DOI:10.1016/s1003-6326(25)66817-8.

7. Qian, C.; Chen, X.; Su, L.; et al. The influence of N content on structures and mechanical properties of FCC_(AlCrMoTiV)1-XNX high-entropy nitrides: A density functional theory (DFT) study based on site preference. Computational Materials Science 2025, 251, DOI:10.1016/j.commatsci.2025.113787.

8. Qian, C.; Zhang, X.; Chen, X.; et al. Surface oxidation mechanism and mechanical properties of lightweight high-entropy alloys AlCrMoTi and AlCrMoTiV based on site preference. Surfaces and Interfaces 2025, 72, DOI:10.1016/j.surfin.2025.107071.

9. Qiao, Y.; Chen, X.; Wu, B.; et al. A general approach to qualitatively and graphically characterize the diffuse behavior of interstitial nonmetallic atoms in multi‐principal element alloys based on sit e preference. Materials Genome Engineering Advances 2025, 3, DOI:10.1002/mgea.70021.