Diffusion in thorium carbide: A first-principles study
The prediction of the behavior of Th compounds under irradiation is an important issue for the upcoming Generation-IV nuclear reactors. The study of self-diffusion and hetero-diffusion is a central key to fulfill this goal. As a first approach, we obtained, by means of first-principles methods, migr...
| Authors: | , , |
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| Format: | article |
| Status: | Published version |
| Publication Date: | 2015 |
| Country: | Argentina |
| Institution: | Consejo Nacional de Investigaciones Científicas y Técnicas |
| Repository: | CONICET Digital (CONICET) |
| Language: | English |
| OAI Identifier: | oai:ri.conicet.gov.ar:11336/94398 |
| Online Access: | http://hdl.handle.net/11336/94398 |
| Access Level: | Open access |
| Keyword: | DIFFUSION ACTINIDES NUCLEAR MATERIAS FIRST PRINCIPLES https://purl.org/becyt/ford/2.5 https://purl.org/becyt/ford/2 |
| Summary: | The prediction of the behavior of Th compounds under irradiation is an important issue for the upcoming Generation-IV nuclear reactors. The study of self-diffusion and hetero-diffusion is a central key to fulfill this goal. As a first approach, we obtained, by means of first-principles methods, migration and activation energies of Th and C atoms self-diffusion and diffusion of He atoms in ThC. We also calculate diffusion coefficients as a function of temperature. |
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