Energetic stability of small defect clusters in α-zirconium by first-principles calculation
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Nuclear Materials and Properties · Radioactive element chemistry and processing · Rare-earth and actinide compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (10)
Show source-provided references
1. Structure and stability of small self-interstitial clusters in zirconium10.1016/j.actamat.2024.119708 ↗
2. Defect cluster configurations and mobilities in α-Zr: a comparison of the BMD19 and M07 interatomic potentials10.1016/j.jnucmat.2021.153441 ↗
3. On the structure and mobility of point defect clusters in alpha-zirconium: a comparison for two interatomic potential models10.1088/0965-0393/19/3/035003 ↗
4. Hydrogen in zirconium: Atomistic simulations of diffusion and interaction with defects using a new embedded atom method potential10.1016/j.jnucmat.2020.152055 ↗
5. Optimized interatomic potential for atomistic simulation of Zr-Nb alloy10.1016/j.commatsci.2021.110581 ↗
6. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
7. Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional10.1063/1.478401 ↗
8. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
9. Stability of self-interstitial atoms in hcp-Zr10.1016/j.jnucmat.2012.06.010 ↗
10. Single-crystal elastic moduli and the hcp-> bcc transformation in Ti, Zr, and Hf10.1103/PhysRev.135.A482 ↗