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Formation energy of vacancies in FeCr alloys: Dependence on Cr concentration
Citation
Rio Redondo, Emma del 
ORCID: https://orcid.org/0000-0002-6854-1087, Sampedro, Jesus, Dogo, Harun, Caturla Terol, Maria Jose, Caro, Magdalena, Caro, Alfredo and Perlado Martín, José Manuel ORCID: https://orcid.org/0000-0001-6907-4153
(2011).
Formation energy of vacancies in FeCr alloys: Dependence on Cr concentration.
"Journal of Nuclear Materials", v. 408
(n. 1);
pp. 18-24.
ISSN 0022-3115.
https://doi.org/10.1016/j.jnucmat.2010.10.021.
Description
| Title: | Formation energy of vacancies in FeCr alloys: Dependence on Cr concentration |
|---|---|
| Author/s: |
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| Item Type: | Article |
| Título de Revista/Publicación: | Journal of Nuclear Materials |
| Date: | January 2011 |
| ISSN: | 0022-3115 |
| Volume: | 408 |
| Subjects: | |
| Faculty: | E.T.S.I. Industriales (UPM) |
| Department: | Física Aplicada a la Ingeniería Industrial [hasta 2014] |
| Creative Commons Licenses: | Recognition - No derivative works - Non commercial |
Abstract
A modified version of the concentration-dependent model (CDM) potential (A. Caro et al., Phys. Rev. Lett. 95 (2005) 075702) [1] has been developed to study defects in Fe–Cr for different Crconcentrations. A comparison between this new potential and DFT results for a variety of point defect configurations is performed in order to test its reliability for radiation damage studies. The effect of Crconcentration on the vacancyformationenergy in Fe–Cr alloys is analyzed in detail. This study shows a linear dependence of the vacancyformationenergy on Crconcentration for values above 6% of Cr. However, the formationenergy deviates from the linear interpolation in the region below 6% Crconcentration. In order to understand this behavior, the influence of the relative positions between Cr atoms and vacant sites on the vacancyformationenergy has been studied.
Funding Projects
Type
Code
Acronym
Leader
Title
FP7
212175
GETMAT
Unspecified
GEn IV and Transmutation MATerials
More information
| Item ID: | 11155 |
|---|---|
| DC Identifier: | https://oa.upm.es/11155/ |
| OAI Identifier: | oai:oa.upm.es:11155 |
| DOI: | 10.1016/j.jnucmat.2010.10.021 |
| Deposited by: | Memoria Investigacion |
| Deposited on: | 26 Jun 2012 08:25 |
| Last Modified: | 06 Sep 2017 16:23 |
