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|Title:||Monte Carlo simulation of surface segregation in nanoparticles|
|Authors:||Jayaganthan, R. |
|Keywords:||Monte Carlo Simulation|
|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|
|Appears in Collections:||Staff Publications|
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