Study on the surface binding energy of W-Mo alloy (110) surface
Abstract This study used molecular dynamics software LAMMPS to simulate the surface binding energy of W 1-x Mo x (x = 0, 0.9375, 0.875, 0.75, 0.625, 0.5) alloy (110) surface. The effect of thermal vibration, model size, energy step size and temperature for surface binding energy comprehensively considered. Finally, reference values for the surface binding energy of W-Mo alloys with different concentrations were obtained, and it was found that, within the simulation range, as the Mo concentration increased, the surface binding energy of W atoms increased from 11.661 ± 0.017 eV to 12.058 ± 0.047 eV, while the surface binding energy of Mo atoms decreased from 9.378 ± 0.012 eV to 9.249 ± 0.031 eV. This indicated that alloying Mo with W has a positive effect on surface binding energy. These results provide reference values for simulations of W-Mo alloys.
Authors
- Sanqiu Liu (ORCID: https://orcid.org/0000-0001-8261-1021)
- Yiqin Zhu
- Haifeng Liu (ORCID: https://orcid.org/0000-0002-0424-645X)
- J. Cheng (ORCID: https://orcid.org/0000-0002-0496-5542)
- Xiaochang Chen (ORCID: https://orcid.org/0000-0001-6981-3016)
- Heng Li (ORCID: https://orcid.org/0000-0003-4434-254X)
- Yuhong Xu (ORCID: https://orcid.org/0000-0003-4882-647X)
- Yizhou Ma (ORCID: https://orcid.org/0000-0002-2775-5660)
- Xianqu Wang (ORCID: https://orcid.org/0000-0001-8485-895X)
- Hai Liu (ORCID: https://orcid.org/0000-0001-6407-5958)
- Xiaolong Li (ORCID: https://orcid.org/0000-0002-9867-4825)
- Xiao Liu (ORCID: https://orcid.org/0000-0002-8073-0534)
- Xin Zhang (ORCID: https://orcid.org/0009-0005-0437-7408)
- Jinyan Hu (ORCID: https://orcid.org/0000-0003-2476-5641)
- Huaqing Zheng
- Shaofei Geng (ORCID: https://orcid.org/0000-0003-3135-6598)
- Changjian Tang
- Zilin Cui
- Guangjiu Lei
Institutions
- Nanchang University (CN)
- Sichuan University (CN)
- Southwestern Institute of Physics (CN)
- Southwest Jiaotong University (CN)
Publication Details
- Journal
- Physica Scripta
- Published
- 2025-02-12
- DOI
- https://doi.org/10.1088/1402-4896/adb527
- Primary Topic
- Metal and Thin Film Mechanics
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Fundamental Research Funds for the Central Universities