• Comparison of empirical interatomic potentials for iron applied to radiation damage studies 

      Becquart, C.S.; Willaime, F.; Terentyev, Dimitry; Serra Tort, Ana María; Nordlund, K.; Malerba, L.; Marinica, M.C.; Anento Moreno, Napoleón; Björkas, C.; Nguyen, H.; Domain, C.; Djurabekova, F.; Olsson, P. (2010)
      Article
      Accés restringit per política de l'editorial
      The performance of four recent semi-empirical interatomic potentials for iron, developed or used within the FP6 Perfect Project, is evaluated by comparing them between themselves and with available experimental or, more ...
    • Edge dislocations as sinks for sub-nanometric radiation induced defects in a-iron 

      Anento Moreno, Napoleón; Malerba, L.; Serra Tort, Ana María (Elsevier, 2018-01)
      Article
      Accés obert
      The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction ...
    • Multiscale modelling for fusion and fission materials: the M4F project 

      Malerba, L.; Caturla, Maria José; Gaganidze, Emile; Anento Moreno, Napoleón; Kvashin, Nikolai; Serra Tort, Ana María (Elsevier, 2021-12)
      Article
      Accés obert
      The M4F project brings together the fusion and fission materials communities working on the prediction of radiation damage production and evolution and their effects on the mechanical behaviour of irradiated ferritic/martensitic ...
    • Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys. Part I: pure Fe 

      Malerba, L.; Anento Moreno, Napoleón; Balbuena, Juan Pablo; Becquart, C.S.; Castin, Nicolas; Caturla, Maria José; Domain, C.; Guerrero, C.; Ortiz, Christophe; Pannier, B.; Serra Tort, Ana María (Elsevier, 2021-12)
      Article
      Accés obert
      This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe alloys under irradiation. It focuses on pure a-Fe and compiles the parameters that describe quantitatively ...