Deffect energetics in FeCr from empirical interatomic potentials

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
Author/s:
  • Rio Redondo, Emma del
  • Victoria, Máximo Pedro
  • Perlado Martín, José Manuel
  • Sampedro, Jesus M.
  • Caturla Terol, María José
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

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (115kB) | Preview

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

TypeCodeAcronymLeaderTitle
FP7212175GETMATKarlsruher Institut fuer TechnologieGEn IV and Transmutation MATerials
Government of SpainENE2008-06403-C06-06UnspecifiedUnspecifiedUnspecified

More information

Item ID: 44428
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
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM