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Monte Carlo Simulation of Surface Segregation in Nanoparticles (2005)

Jayaganthan, Rengaswamy ; Chow, Gan Moog

s.l. ; Stafa-Zurich, Switzerland

Journal of metastable and nanocrystalline materials Vol. 23 (Jan. 2005), p. 203-206

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ISSN: 1422-6375

Source: Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008

Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics

Notes: 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 thanthat 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

Type of Medium: Electronic Resource

URL: http://www.tib-hannover.de/fulltexts/2011/0528/01/43/transtech_doi~10.4028%252Fwww.scientific.net%252FJMNM.23.203.pdf

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