Structural differences in titanium surfaces under low-energy hydrogen ion irradiation: a molecular dynamics and topological data analysis approach
Abstrak
Microscopic structural changes on Ti surfaces under low-energy (≤30 eV) and perpendicular hydrogen ion (H+, H2+) irradiation were investigated using molecular dynamics simulations and topological data analysis. Under H2+ irradiation, H retention peaked at 5–7 eV, while H+ irradiation decreased monotonically with increasing energy. Detailed analysis for H2+ irradiation revealed that the retention ratio of two hydrogen atoms composing the H2 molecule followed a similar trend. Persistence diagrams showed additional ring structures formed by H incorporation, leaving the original Ti ring framework intact. Most new rings comprised one H atom and two Ti atoms, with H-Ti distances contracting at lower irradiation energies. The centers of these rings shifted to shallower regions of the Ti surface with decreasing irradiation energy. These findings underscore the potential of low-energy hydrogen ion irradiation for controlled H incorporation into Ti surfaces, suggesting the atomic-level control of plasma-assisted surface engineering.
Topik & Kata Kunci
Penulis (5)
Kosuke Yamamoto
Hisashi Q. Higuchi
Y. Kawano
K. Yamada
Hu Li
Akses Cepat
- Tahun Terbit
- 2025
- Bahasa
- en
- Sumber Database
- Semantic Scholar
- DOI
- 10.35848/1347-4065/adc8af
- Akses
- Open Access ✓