Molecular dynamics modeling and simulation of void growth in two dimensions

Chang, Hyung-jun and Segurado Escudero, Javier and Rodríguez de la Fuente, O. and Pabón, B. M. and Llorca Martinez, Francisco Javier (2013). Molecular dynamics modeling and simulation of void growth in two dimensions. "Modelling and simulation in materials science and engineering", v. 21 (n. 7); pp. 1-17. ISSN 0965-0393. https://doi.org/10.1088/0965-0393/21/7/075010.

Description

Title: Molecular dynamics modeling and simulation of void growth in two dimensions
Author/s:
  • Chang, Hyung-jun
  • Segurado Escudero, Javier
  • Rodríguez de la Fuente, O.
  • Pabón, B. M.
  • Llorca Martinez, Francisco Javier
Item Type: Article
Título de Revista/Publicación: Modelling and simulation in materials science and engineering
Date: September 2013
ISSN: 0965-0393
Volume: 21
Subjects:
Faculty: E.T.S.I. Caminos, Canales y Puertos (UPM)
Department: Ciencia de los Materiales
Creative Commons Licenses: Recognition - No derivative works - Non commercial

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (9MB)

Abstract

The mechanisms of growth of a circular void by plastic deformation were studied by means of molecular dynamics in two dimensions (2D). While previous molecular dynamics (MD) simulations in three dimensions (3D) have been limited to small voids (up to ≈10 nm in radius), this strategy allows us to study the behavior of voids of up to 100 nm in radius. MD simulations showed that plastic deformation was triggered by the nucleation of dislocations at the atomic steps of the void surface in the whole range of void sizes studied. The yield stress, defined as stress necessary to nucleate stable dislocations, decreased with temperature, but the void growth rate was not very sensitive to this parameter. Simulations under uniaxial tension, uniaxial deformation and biaxial deformation showed that the void growth rate increased very rapidly with multiaxiality but it did not depend on the initial void radius. These results were compared with previous 3D MD and 2D dislocation dynamics simulations to establish a map of mechanisms and size effects for plastic void growth in crystalline solids.

More information

Item ID: 29087
DC Identifier: http://oa.upm.es/29087/
OAI Identifier: oai:oa.upm.es:29087
DOI: 10.1088/0965-0393/21/7/075010
Official URL: http://iopscience.iop.org/0965-0393/21/7/075010
Deposited by: Memoria Investigacion
Deposited on: 05 Jun 2014 11:30
Last Modified: 22 Sep 2014 11:44
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM