• {111} tilt grain boundaries as barriers for slip transfer in bcc Fe 

      Kvashin, Nikolai; Anento Moreno, Napoleón; Terentyev, Dimitry; Serra Tort, Ana María (2022-02)
      Article
      Accés restringit per política de l'editorial
      We have studied the interaction of an individual dislocation and a pile-up of dislocations with {111} tilt grain boundary in iron by means of atomistic simulations. The {111} tilt grain boundary, under externally applied ...
    • Atomic-level study on the interaction of plastic slip with S3{112} tilt grain boundary and {112} twins in bcc metals 

      Kvashin, Nikolai; Anento Moreno, Napoleón; Terentyev, Dimitry; Serra Tort, Ana María (American Physical Society (APS), 2022-03)
      Article
      Accés obert
      The Σ3{112} tilt grain boundary (GB) is found in many grains in bcc polycrystalline metals due to its low energy and high stability. Moreover, it is the coherent boundary of the {112} twin. This paper studies the interaction ...
    • 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 ...
    • Grain boundary mediated plasticity: the role of grain boundary atomic structure and thermal activation 

      Terentyev, Dimitry; Bakaev, A.; Serra Tort, Ana María; Pavia, F.; Baker, K. L.; Anento Moreno, Napoleón (2018-03)
      Article
      Accés obert
      The interaction of dislocation pile-ups with several tilt grain boundaries (GB) is studied in copper by using a hybrid continuum-atomistic approach. The effects of temperature, pile-up intensity and GB structure on absorption ...
    • Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations 

      Kvashin, Nikolai; Anento Moreno, Napoleón; Terentyev, Dimitry; Bakaev, A.; Serra Tort, Ana María (American Physical Society (APS), 2021-01)
      Article
      Accés obert
      The sustainability and capacity of macroscopic deformation by polycrystalline metals and metallic alloys is controlled by the propagation of dislocation-mediated slip through grains. In this paper, the interaction of a ...
    • 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
      Accés obert
      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)
      Article
      Accés restringit per política de l'editorial
      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
      Accés obert
      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 ...