Observatorio de I+D+i UPM

Memorias de investigación
Communications at congresses:
Deffect energetics in FeCr from empirical interatomic potentials
Year:2009
Research Areas
  • Naval engineering
Information
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.
International
Si
Congress
14th International Conference on Fusion Reactor Materials (ICFRM-14)
960
Place
Sapporo (Japon)
Reviewers
Si
ISBN/ISSN
Start Date
07/09/2009
End Date
12/09/2009
From page
0
To page
0
Deffect energetics in FeCr from empirical interatomic potentials
Participants
  • Participante: María José Caturla Terol (Universidad de Alicante)
  • Autor: Emma del Rio Redondo (UPM)
  • Autor: Maximo Pedro Victoria (UPM)
  • 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
  • Departamento: Ingeniería Nuclear
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