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https://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 | Citation: | 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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