A Quasicontinuum Study of Nanovoid Collapse under Uniaxial Loading in Ta

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The mechanisms underlying the deformation of nanovoids in Ta single crystals are analyzed when they are subjected to cyclic uniaxial deformation using numerical simulations. Boundary and cell-size effects have been mitigated by means of the Quasicontinuum (QC) method. We have considered {approx} 1 billion-atom systems containing 10.9 nm voids. Two kinds of simulations have been performed, each characterized by a different boundary condition. First, we compress the material along the nominal [0 0 1] direction, resulting in a highly symmetric configuration that results in high stresses. Second, we load the material along the high-index [{bar 4}819] direction to confine plasticity ... continued below

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Marian, J; Knap, J & Campbell, G December 2, 2007.

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The mechanisms underlying the deformation of nanovoids in Ta single crystals are analyzed when they are subjected to cyclic uniaxial deformation using numerical simulations. Boundary and cell-size effects have been mitigated by means of the Quasicontinuum (QC) method. We have considered {approx} 1 billion-atom systems containing 10.9 nm voids. Two kinds of simulations have been performed, each characterized by a different boundary condition. First, we compress the material along the nominal [0 0 1] direction, resulting in a highly symmetric configuration that results in high stresses. Second, we load the material along the high-index [{bar 4}819] direction to confine plasticity to a single slip system and break the symmetry. We find that the plastic response under these two conditions is strikingly different, the former governed by dislocation loop emission and dipole formation, while the latter is dominated by twinning. We calculate the irreversible plastic work budget derived from a loading-unloading cycle and identify the most relevant yield points. These calculations represent the first fully three-dimensional, fully non-local simulations of any body-centered cubic metal using QC.

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PDF-file: 25 pages; size: 1.5 Mbytes

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  • Journal Name: Acta Materalia, N/A, no. 10, May 17, 2008, pp. 2389-2399; Journal Volume: 56; Journal Issue: 10

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  • Report No.: UCRL-JRNL-236991
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 944325
  • Archival Resource Key: ark:/67531/metadc896420

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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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  • December 2, 2007

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  • Sept. 27, 2016, 1:39 a.m.

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  • Dec. 8, 2016, 9:05 p.m.

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Marian, J; Knap, J & Campbell, G. A Quasicontinuum Study of Nanovoid Collapse under Uniaxial Loading in Ta, article, December 2, 2007; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc896420/: accessed October 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.