Now showing items 1-20 of 41

    • {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 displacements accompanying deformation twinning: shears and shuffles 

      Pond, Robert C.; Hirth, John; Serra Tort, Ana María; Bacon, D.J (Taylor & Francis Ltd., 2016-04)
      Article
      Open Access
      Deformation twins grow by the motion of disconnections along their interfaces, thereby coupling shear with migration. Atomic-scale simulations of this mechanism have advanced to the point where the trajectory of each atom ...
    • Atomic processes of shear-coupled migration in {112} twins and vicinal grain boundaries in bcc-Fe 

      Kvashin, Nikolai; García-Müller, Pablo Luis; Anento Moreno, Napoleón; Serra Tort, Ana María (American Physical Society (APS), 2020-07)
      Article
      Open Access
      Tilt {112} grain boundaries (GBs) in bcc metals perform shear-coupled grain-boundary migration by the creation and glide of disconnections. Disconnection dipoles may be created at the pristine GB at high stresses or may ...
    • 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 ...
    • Atomistic study of multimechanism diffusion by self-interstitial defects in ¿-Fe 

      Anento Moreno, Napoleón; Serra Tort, Ana María; Osetsky, Yuri N. (2010)
      Article
      Restricted access - publisher's policy
      We present the results of an extensive molecular dynamics study of selfinterstitial atom (SIA) clusters containing up to 37 defects over a wide range of temperatures in iron. A long simulation time and high statistics of ...
    • Comment on 

      Serra Tort, Ana María; Bacon, D.J.; Pond, R.C. (2010-01-15)
      Article
      Restricted access - publisher's policy
    • 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 ...
    • Disconnection-mediated motion of ⟨110⟩ tilt grain boundaries in a-Fe 

      Kvashin, Nikolai; Anento Moreno, Napoleón; Serra Tort, Ana María (American Physical Society (APS), 2022-05)
      Article
      Open Access
      It is possible for ⟨110⟩ tilt grain boundaries (GBs) in bcc metals to perform a conservative displacement by the glide of intrinsic GB line defects, namely, disconnections. The paper presents the characteristic of these ...
    • Dislocation structure and mobility in hcp rare-gas solids: quantum versus classical 

      Sempere Llagostera, Santiago; Serra Tort, Ana María; Boronat Medico, Jordi; Cazorla Silva, Claudio (Multidisciplinary Digital Publishing Institute (MDPI), 2018-02-01)
      Article
      Open Access
      We study the structural and mobility properties of edge dislocations in rare-gas crystals with the hexagonal close-packed (hcp) structure by using classical simulation techniques. Our results are discussed in the light of ...
    • 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
      Open Access
      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 ...
    • 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. ...
    • Effect of nickel on point defects diffusion in Fe – Ni alloys 

      Anento Moreno, Napoleón; Serra Tort, Ana María; Osetsky, Yuri (2017-06)
      Article
      Open Access
      Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the ...
    • Evolution of matrix-twin interfaces of (101¯2) twin in magnesium 

      Ostapovets, Andriy; Serra Tort, Ana María (2015-10-01)
      Article
      Restricted access - publisher's policy
      Recently, the presence of basal-prismatic interfaces in hexagonal close packed metals became subject of intensive investigation. We model the {101¯2} twin in magnesium bounded by two types of boundaries, i.e. {101¯2} ...
    • FÌSICA 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2018-06-08)
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    • FÍSICA 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2018-04-03)
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    • Física 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2017-05-26)
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    • FÍSICA 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2017-06-29)
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    • FÍSICA | ( Extraordinai 2n Q) 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2019-06-25)
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    • FÍSICA | ( Extraordinari 2n Q) 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2018-07-06)
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    • FÍSICA | (Final 2n Q) 

      Serra Tort, Ana María (Universitat Politècnica de Catalunya, 2019-06-04)
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