An atomistic simulation of solid state sintering using Monte Carlo methods

Sutton, RA and Schaffer, GB (2002) An atomistic simulation of solid state sintering using Monte Carlo methods. Materials Science And Engineering A-structural Materials Properties Microstructure And Processing, 335 1-2: 253-259.


Author Sutton, RA
Schaffer, GB
Title An atomistic simulation of solid state sintering using Monte Carlo methods
Journal name Materials Science And Engineering A-structural Materials Properties Microstructure And Processing   Check publisher's open access policy
Publication date 2002
Sub-type Article
DOI 10.1016/S0921-5093(01)01939-6
Volume number 335
Issue number 1-2
ISSN 0921-5093
Start page 253
End page 259
Total pages 7
Place of publication Switzerland
Publisher Elsevier
Collection year 2002
Language eng
Subject C1
291403 Alloy Materials
671099 Fabricated metal products not elsewhere classified
Abstract This paper presents results on the simulation of the solid state sintering of copper wires using Monte Carlo techniques based on elements of lattice theory and cellular automata. The initial structure is superimposed onto a triangular, two-dimensional lattice, where each lattice site corresponds to either an atom or vacancy. The number of vacancies varies with the simulation temperature, while a cluster of vacancies is a pore. To simulate sintering, lattice sites are picked at random and reoriented in terms of an atomistic model governing mass transport. The probability that an atom has sufficient energy to jump to a vacant lattice site is related to the jump frequency, and hence the diffusion coefficient, while the probability that an atomic jump will be accepted is related to the change in energy of the system as a result of the jump, as determined by the change in the number of nearest neighbours. The jump frequency is also used to relate model time, measured in Monte Carlo Steps, to the actual sintering time. The model incorporates bulk, grain boundary and surface diffusion terms and includes vacancy annihilation on the grain boundaries. The predictions of the model were found to be consistent with experimental data, both in terms of the microstructural evolution and in terms of the sintering time. (C) 2002 Elsevier Science B.V. All rights reserved.
Keyword Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Solid State Sintering
Computer Modelling
Monte Carlo Methods
Grain-growth
Computer-simulation
Numerical-simulation
Kinetics
Model
Recrystallization
Solidification
Microstructure
Dynamics
Size
Q-Index Code C1

Document type: Journal Article
Sub-type: Article
Collection: School of Mechanical & Mining Engineering Publications
 
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Created: Tue, 14 Aug 2007, 18:10:57 EST