Now showing items 1-10 of 10

    • {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
      Open Access
      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
      Open Access
      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
      Restricted access - publisher's policy
      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 ...
    • Effect of irradiation defects on the plastic slip of {112} grain boundary: atomic scale study 

      Kvashin, Nikolai; Terentyev, Dimitry; Serra Tort, Ana María; Anento Moreno, Napoleón (2022-11)
      Article
      Restricted access - publisher's policy
      S3{112} grain boundary (GB) is known to exhibit plastic slip in bcc metals, which overall contributes to the good ductility and toughness of such metals as iron, matrix element for the steels applied in nuclear industry. ...
    • 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
      Open Access
      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
      Open Access
      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
      Restricted access - publisher's policy
      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
      Open Access
      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
      Restricted access - publisher's policy
      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
      Open Access
      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 ...