Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

L. Malerba , G. Ackland , C. Becquart , G. Bonny , C. Domain (1) , S.L. Dudarev (2) , C.-C. Fu , D. Hepburn , M.C. Marinica (3) , P. Olsson , R.C. Pasianot , J.M. Raulot , F. Soisson (3) , D. Terentyev , E. Vincent , F. Willaime (3)

1 EDF R&D MMC - Matériaux et Mécanique des Composants
2 CCFE - Culham Centre for Fusion Energy
3 SRMP - Service de recherches de métallurgie physique

Domaines: Sciences de l'ingénieur [physics]; Matériaux

L. Malerba, G. Ackland, C. Becquart, G. Bonny, C. Domain, et al.. Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project. Journal of Nuclear Materials, 2010, 406 (1), pp.7 - 18. ⟨10.1016/j.jnucmat.2010.05.016⟩. ⟨hal-01828115⟩