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Deffect energetics in FeCr from empirical interatomic potentials
Citation
Rio Redondo, Emma del and Victoria, Máximo Pedro and Perlado Martín, José Manuel and Sampedro, Jesus M. and Caturla Terol, María José (2009). Deffect energetics in FeCr from empirical interatomic potentials. In: "14th International Conference on Fusion Reactor Materials (ICFRM-14)", 07 - 12, 2009, Sapporo (Japon). pp..
Description
| Title: | Deffect energetics in FeCr from empirical interatomic potentials |
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| Author/s: |
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| Item Type: | Presentation at Congress or Conference (Poster) |
| Event Title: | 14th International Conference on Fusion Reactor Materials (ICFRM-14) |
| Event Dates: | 07 - 12, 2009 |
| Event Location: | Sapporo (Japon) |
| Title of Book: | 14th International Conference on Fusion Reactor Materials (ICFRM-14) |
| Date: | 2009 |
| Subjects: | |
| Faculty: | Instituto de Fusión Nuclear (UPM) |
| Department: | Aeronaves y Vehículos Espaciales |
| Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
Abstract
We present a comparative study between two empirical potentials for the study of FeCr alloys. Vacancy, self- and mixed interstitials formation energies are investigated for both potentials in pure bcc Fe and pure bcc Cr. These results are compared to DFT values reported in literature. Some small Cr clusters in substitutional positions have also been studied in bcc Fe. Finally we have performed some calculations of the vacancy formation energy (Ev) depending on Cr concentration.
Funding Projects
| Type | Code | Acronym | Leader | Title |
|---|---|---|---|---|
| FP7 | 212175 | GETMAT | Karlsruher Institut fuer Technologie | GEn IV and Transmutation MATerials |
| Government of Spain | ENE2008-06403-C06-06 | Unspecified | Unspecified | Unspecified |
More information
| Item ID: | 44428 |
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| DC Identifier: | http://oa.upm.es/44428/ |
| OAI Identifier: | oai:oa.upm.es:44428 |
| Deposited by: | Memoria Investigacion |
| Deposited on: | 03 Apr 2017 18:02 |
| Last Modified: | 04 Apr 2017 16:45 |
