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Title: A Quasicontinuum Study of Nanovoid Collapse under Uniaxial Loading in Ta

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.
Authors:
; ;
Publication Date:
OSTI Identifier:
944325
Report Number(s):
UCRL-JRNL-236991
TRN: US200902%%687
DOE Contract Number:
W-7405-ENG-48
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Materalia, N/A, no. 10, May 17, 2008, pp. 2389-2399; Journal Volume: 56; Journal Issue: 10
Research Org:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; BOUNDARY CONDITIONS; CONFIGURATION; DEFORMATION; DIPOLES; DISLOCATIONS; MONOCRYSTALS; PLASTICITY; PLASTICS; SLIP; STRESSES; SYMMETRY; TWINNING