• 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 ...
  • Interaction of carbon with vacancy and self-interstitial atom clusters in alpha-iron studied using metallic-covalent interatomic potential 

    Terentyev, Dimitry; Anento Moreno, Napoleón; Serra Tort, Ana María; Jansson, Ville; Khater, Hassan; Bonny, Giovanni (2011-01-31)
    Article
    Accés restringit per política de l'editorial
    The presence of even small amount of carbon interstitial impurity affects properties of Fe and Fe-based ferritic alloys. From earlier experiments it follows that carbon exhibits considerably strong interaction with lattice ...
  • Interaction of He and He-V clusters with self-interstitials and dislocations defects in bcc Fe 

    Terentyev, Dimitry; Anento Moreno, Napoleón; Serra Tort, Ana María; Ortiz, C. J.; zhurkin, E. E. (2015-03-01)
    Article
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    The understanding of helium effects in synergy with radiation damage is crucial for the development of structural steels for fusion applications. Recent investigations in ultra-pure iron, taken as a basic model, have shown ...
  • Structure and strength of (1 1 0) tilt grain boundaries in bcc Fe: an atomistic study 

    Terentyev, Dimitry; He, X.; Serra Tort, Ana María; Kuriplach, J. (2010-08)
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    In this work we study a set of $\left<{1\:1\:0}\right>$ tilt grain boundaries (GB) with a misorientation angle varied from 26º to 141º by applying atomistic calculations in α-Fe. A set of different interatomic potentials ...
  • The role of nickel in radiation damage of ferritic alloys 

    Osetsky, Yuri; Anento Moreno, Napoleón; Serra Tort, Ana María; Terentyev, Dimitry (2015-02-01)
    Article
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    According to modern theory, damage evolution under neutron irradiation depends on the fraction of self-interstitial atoms (SIAs) produced in the form of one-dimensional glissile clusters. These clusters, having a low ...