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Title: Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation

Abstract

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 informationmore » 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.« less

Authors:
; ; ;
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
940476
Report Number(s):
UCRL-JRNL-227283
TRN: US200824%%39
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Journal Article
Journal Name:
Journal of Computer-Aided Materials Design, vol. 14, N/A, July 18, 2007, pp. 425-434
Additional Journal Information:
Journal Volume: 14
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 42 ENGINEERING; 99 GENERAL AND MISCELLANEOUS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; COALESCENCE; COPPER; DEFORMATION; FEEDING; FRACTURES; LIGAMENTS; NUCLEATION; PLASTICS; PRECURSOR; SHAPE; SHEAR; SIMULATION; STRAIN RATE

Citation Formats

Rudd, R E, Seppala, E T, Dupuy, L M, and Belak, J. Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation. United States: N. p., 2007. Web. doi:10.1007/s10820-007-9054-0.
Rudd, R E, Seppala, E T, Dupuy, L M, & Belak, J. Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation. United States. https://doi.org/10.1007/s10820-007-9054-0
Rudd, R E, Seppala, E T, Dupuy, L M, and Belak, J. 2007. "Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation". United States. https://doi.org/10.1007/s10820-007-9054-0. https://www.osti.gov/servlets/purl/940476.
@article{osti_940476,
title = {Void Coalescence Processes Quantified Through Atomistic and Multiscale Simulation},
author = {Rudd, R E and Seppala, E T and Dupuy, L M and Belak, J},
abstractNote = {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.},
doi = {10.1007/s10820-007-9054-0},
url = {https://www.osti.gov/biblio/940476}, journal = {Journal of Computer-Aided Materials Design, vol. 14, N/A, July 18, 2007, pp. 425-434},
number = ,
volume = 14,
place = {United States},
year = {2007},
month = {1}
}

Works referenced in this record:

Calculation of stress in atomistic simulation
journal, June 2004


Onset of Void Coalescence during Dynamic Fracture of Ductile Metals
journal, December 2004


Surface identification, meshing and analysis during large molecular dynamics simulations
journal, February 2006


Ductile fracture
journal, January 1987


Ductile fracture
journal, January 1987


Void growth by dislocation emission
journal, April 2004


Generalized in situ adaptive tabulation for constitutive model evaluation in plasticity
journal, December 2006


Effect of stress triaxiality on void growth in dynamic fracture of metals: A molecular dynamics study
journal, April 2004


Three-dimensional molecular dynamics simulations of void coalescence during dynamic fracture of ductile metals
journal, February 2005


Simple embedded atom method model for fcc and hcp metals
journal, June 1988


A Criterion for Ductile Fracture by the Growth of Holes
journal, June 1968


Polymorphic transitions in single crystals: A new molecular dynamics method
journal, December 1981


Spall studies in uranium
journal, July 1977


Micromechanical finite element calculations of temperature and void configuration effects on void growth and coalescence
journal, June 2000


Concurrent Coupling of Length Scales in Solid State Systems
journal, January 2000


On the ductile enlargement of voids in triaxial stress fields∗
journal, June 1969


On the ductile enlargement of voids in triaxial stress fields∗
journal, June 1969


Coarse-grained molecular dynamics and the atomic limit of finite elements
journal, September 1998


The pressure for dislocation loop punching by a single bubble
journal, August 1988


Coarse-grained molecular dynamics: Nonlinear finite elements and finite temperature
journal, October 2005


Void nucleation and associated plasticity in dynamic fracture of polycrystalline copper: an atomistic simulation
journal, May 2002


Dynamic failure of solids
journal, March 1987


Coarse-Grained Molecular Dynamics for Computer Modeling of Nanomechanical Systems
journal, January 2004