Microscopic Properties of Point Defect and its Cluster in Delta-Phase Plutonium: A Molecular Dynamics Study
| Autor: | Yu Bing Gao, Du Qiang Xin |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
010302 applied physics
Delta Materials science Mechanical Engineering chemistry.chemical_element Interatomic potential 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Molecular physics Plutonium Molecular dynamics Atomic configuration chemistry Mechanics of Materials Phase (matter) 0103 physical sciences Cluster (physics) General Materials Science Point (geometry) 0210 nano-technology |
| Zdroj: | Materials Science Forum. 993:945-952 |
| ISSN: | 1662-9752 |
| Popis: | Self-irradiation effect induced by Pu α decay is an important influencing factor for long-term storage of Pu-based materials. In order to reveal the collision displacement cascade for uranium recoil nucleus induced by alpha decay in delta-phase plutonium at atomic level, we review the recent progress in self-irradiation of metallic plutonium and its alloys. We perform a molecular dynamics (MD) calculation on basis of modified embedded atom (MEAM) interatomic potentials, and obtain the minimum of displacement threshold energy (MDTE) for {1 1 1} lattice direction and microscopic evolution of He self-interstitial cluster. These findings are in agreement with previous experimental and theoretical results, and can be viewed as an essential input parameter for mesoscopic simulation to obtain the evolution of microscopic configuration at longer time and space, and might be also helpful for understanding the nucleation and growth mechanisms for vacancy and/or self-interstitial and its clusters, He-vacancy cluster and He bubbles in delta-phase plutonium and its alloys. |
| Databáze: | OpenAIRE |
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