Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation

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Simulation of ductile fracture at the atomic scale reveals many aspects of the fracture process including specific mechanisms associated with void nucleation and growth as a precursor to fracture and the plastic deformation of the material surrounding the voids and cracks. Recently we have studied void coalescence in ductile metals using large-scale atomistic and continuum simulations. Here we review that work and present some related investigations. The atomistic simulations involve three-dimensional strain-controlled multi-million atom molecular dynamics simulations of copper. The correlated growth of two voids during the coalescence process leading to fracture is investigated, both in terms of its onset ... continued below

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Rudd, R E; Seppala, E T; Dupuy, L M & Belak, J January 12, 2007.

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Simulation of ductile fracture at the atomic scale reveals many aspects of the fracture process including specific mechanisms associated with void nucleation and growth as a precursor to fracture and the plastic deformation of the material surrounding the voids and cracks. Recently we have studied void coalescence in ductile metals using large-scale atomistic and continuum simulations. Here we review that work and present some related investigations. The atomistic simulations involve three-dimensional strain-controlled multi-million atom molecular dynamics simulations of copper. The correlated growth of two voids during the coalescence process leading to fracture is investigated, both in terms of its onset and the ensuing dynamical interactions. Void interactions are quantified through the rate of reduction of the distance between the voids, through the correlated directional growth of the voids, and through correlated shape evolution of the voids. The critical inter-void ligament distance marking the onset of coalescence is shown to be approximately one void radius based on the quantification measurements used, independent of the initial separation distance between the voids and the strain-rate of the expansion of the system. No pronounced shear flow is found in the coalescence process. We also discuss a technique for optimizing the calculation of fine-scale information on the fly for use in a coarse-scale simulation, and discuss the specific case of a fine-scale model that calculates void growth explicitly feeding into a coarse-scale mechanics model to study damage localization.

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PDF-file: 13 pages; size: 1.3 Mbytes

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  • Journal Name: Journal of Computer-Aided Materials Design, vol. 14, N/A, July 18, 2007, pp. 425-434; Journal Volume: 14

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  • Report No.: UCRL-JRNL-227283
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 940476
  • Archival Resource Key: ark:/67531/metadc895453

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • January 12, 2007

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  • Sept. 27, 2016, 1:39 a.m.

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  • Dec. 9, 2016, 12:12 a.m.

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Rudd, R E; Seppala, E T; Dupuy, L M & Belak, J. Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation, article, January 12, 2007; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc895453/: accessed December 14, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.