Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/73639
Title: Monte Carlo simulation of surface segregation in nanoparticles
Authors: Jayaganthan, R. 
Chow, G.M. 
Keywords: Monte Carlo Simulation
Nanoparticles
Surface Segregation
Issue Date: 2005
Source: Jayaganthan, R.,Chow, G.M. (2005). Monte Carlo simulation of surface segregation in nanoparticles. Journal of Metastable and Nanocrystalline Materials 23 : 203-206. ScholarBank@NUS Repository.
Abstract: An analysis of surface segregation of Au-Ti alloy nanoparticle (atomic ratio 1:1) is carried out using Monte Carlo simulation with the energetics described by Bozzolo-Ferrante-Smith method. The surface compositions of Au in Au-Ti nanoparticles are calculated based on the simulation that takes into account the size effect. The segregated surface compositions of Au in the Au-Ti binary alloy single-crystal nanoparticles (with particle diameter of 10-100 nm) are observed to be larger than that of the corresponding bulk single crystal (with the particle diameter > 100 nm). The details of Monte Carlo simulation and the calculated surface compositions due to segregation are discussed.
Source Title: Journal of Metastable and Nanocrystalline Materials
URI: http://scholarbank.nus.edu.sg/handle/10635/73639
ISSN: 14226375
Appears in Collections:Staff Publications

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