Research Publications in journals:
Formation energy of vacancies in FeCr alloys: Dependence on Cr concentration
Formation energy of vacancies in FeCr alloys: Dependence on Cr concentration
Year:2011
Research Areas
-
Engineering
Information
|
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 Cr concentrations. 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 Cr concentration on the vacancy formation energy in Fe?Cr alloys is analyzed in detail. This study shows a linear dependence of the vacancy formation energy on Cr concentration for values above 6% of Cr. However, the formation energy deviates from the linear interpolation in the region below 6% Cr concentration. In order to understand this behavior, the influence of the relative positions between Cr atoms and vacant sites on the vacancy formation energy has been studied | |
|
International
|
Si |
|
JCR
|
Si |
|
Title
|
Journal of Nuclear Materials |
|
ISBN
|
0022-3115 |
|
Impact factor JCR
|
1,275 |
|
Impact info
|
|
|
Volume
|
408 |
|
|
|
|
Journal number
|
|
|
From page
|
18 |
|
To page
|
24 |
|
Month
|
SIN MES |
|
Ranking
|
6/34 NUCLEAR SCIENCE AND TECHNOLOGY (SCI); 3/23 MINING AND MINERAL PROCESSING (SCI); 101/219 MATERIALS SCIENCE, MULTIDISCIPLINARY (SCI) |
Open Access publication
Participants
- Autor: Emma del Rio Redondo (UPM)
- Autor: J. Sampedro (DENIM)
- Autor: H. Dogo (Los Alamos National Laboratory)
- Autor: M.J. Caturla (Universidad de Alicante)
- Autor: M. Caro (Los Alamos National Laboratory)
- Autor: A. Caro (Los Alamos National Laboratory)
- Autor: Jose Manuel Perlado Martin (UPM)
Research Group, Departaments and Institutes related
- Creador: Grupo de Investigación: Fusión Nuclear Inercial y Tecnología de fusión
- Centro o Instituto I+D+i: Instituto de Fusión Nuclear
S2i 2021 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)