Browsing by Author "Anento Moreno, Napoleón"
Now showing items 1-20 of 21
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{111} tilt grain boundaries as barriers for slip transfer in bcc Fe
(2022-02)
Article
Open AccessWe 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 processes of shear-coupled migration in {112} twins and vicinal grain boundaries in bcc-Fe
(American Physical Society (APS), 2020-07)
Article
Open AccessTilt {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
(American Physical Society (APS), 2022-03)
Article
Open AccessThe 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
(2010)
Article
Restricted access - publisher's policyWe 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 ... -
Comparison of empirical interatomic potentials for iron applied to radiation damage studies
(2010)
Article
Restricted access - publisher's policyThe 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 ... -
Desenvolupament i implementació d´ Unitats Docents Autocontingudes a les assignatures d’Àlgebra
(Universitat Politècnica de Catalunya. Institut de Ciències de l'Educació, 2010-02-11)
Conference lecture / Conference report
Open AccessEn el curs 2008/2009 s’ha aplicat una metodologia docent nova a l’assignatura d’Àlgebra i Geometria de primer de la titulació d’Enginyeria de Camins. Ha calgut un tipus de material nou que també haurà de servir per a ... -
Disconnection-mediated motion of ⟨110⟩ tilt grain boundaries in a-Fe
(American Physical Society (APS), 2022-05)
Article
Open AccessIt 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 ... -
Edge dislocations as sinks for sub-nanometric radiation induced defects in a-iron
(Elsevier, 2018-01)
Article
Open AccessThe 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
(2022-11)
Article
Open AccessS3{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
(2017-06)
Article
Open AccessIron-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 ... -
Grain boundary mediated plasticity: the role of grain boundary atomic structure and thermal activation
(2018-03)
Article
Open AccessThe 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
(American Physical Society (APS), 2021-01)
Article
Open AccessThe 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 a mobile {1 1 2} grain boundary with radiation induced defects in a-Fe: Transformation of defects and impact on the shear-coupled grain boundary migration
(2020-06)
Article
Open AccessMobile grain boundaries (GB) may have specific interactions with radiation-induced defects compared with static GBs. In this paper, we consider the GB-defect interactions for the {1 1 2} GB that performs shear coupled grain ... -
Interaction of carbon with vacancy and self-interstitial atom clusters in alpha-iron studied using metallic-covalent interatomic potential
(2011-01-31)
Article
Restricted access - publisher's policyThe 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
(2015-03-01)
Article
Open AccessThe 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 ... -
Molecular dynamics simulation of collective motions in binary liquids
(2003-06)
Article
Restricted access - publisher's policyCollective dynamic properties of different kind of binary liquid mixtures have been investigated by molecular dynamics simulation. The study includes both the longitudinal and the transverse current spectra in simple ... -
Multiscale modelling for fusion and fission materials: the M4F project
(Elsevier, 2021-12)
Article
Open AccessThe 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 ... -
On the common topological conditions for shear-coupled twin boundary migration in bcc and hcp metals
(Institute for Metals Superplasticity Problems, 2020-11)
Article
Open AccessThe most abundant deformation twins in metals with hcp and bcc crystallographic structures, i. e. (10-12) and (112) respectively, proceed with the same mechanism of deformation under an applied shear stress, i. e. shear-coupled ... -
On the migration of {3 3 2} <1 1 0> tilt grain boundary in bcc metals and further nucleation of {1 1 2} twin
(2021-08)
Article
Open Access{3 3 2} <1 1 0> tilt grain boundaries (GB) move conservatively under a shear stress by the creation and glide of disconnections. When crystal dislocations interact with the GB they are absorbed and transformed into GB ... -
Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys. Part I: pure Fe
(Elsevier, 2021-12)
Article
Open AccessThis 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 ...
