Paper Title:
Monte Carlo Simulation of Surface Segregation in Nanoparticles
  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.

  Info
Edited by
M. Gupta and Christina Y.H. Lim
Pages
203-206
DOI
10.4028/www.scientific.net/JMNM.23.203
Citation
R. Jayaganthan, G. M. Chow, "Monte Carlo Simulation of Surface Segregation in Nanoparticles", Journal of Metastable and Nanocrystalline Materials, Vol. 23, pp. 203-206, 2005
Online since
January 2005
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Gil Pyo Kim, Seung Bum Yoon, Young Soo Jung, Jae Hoon Ahn, Sung Hyeon Baeck, Alan Kleiman-Schwarsctein, Eric W. Mc Farland
Abstract:Nanoparticles (Au, Pt, Ru) supported on metal oxides (TiO2, Heteropoly Acid) were prepared by PS-PVP block copolymer encapsulation method....
17
Authors: Wei Min Gao, Cheng Xiang Ruan, Yun Fa Chen
Abstract:Hydroxyapatite nanoparticles were synthesized in the presence of two kinds of acidic amino acids in order to investigate the effects of...
2096
Authors: Sanjeev K. Gupta, Mina Talati, Prafulla K. Jha
Abstract:The present paper reports a simple calculation of the size and shape dependent melting temperature of nanoparticles. The melting temperature...
132
Authors: Shan Jun Chen, Shan Luo Jiang, Xi Bo Li, Yong Jian Tang, Wei Guo Sun
Chapter 1: Materials Properties
Abstract:Ti-Al nanoparticles and have been synthesized by the flow-levitation (FL) method. The morphology, crystal structure and chemical composition...
672
Authors: Xiao Ju Yao, Zhi Qiang Wei, Hua Yang, Li Gang Liu
Chapter 5: Optical/Electronic/Magnetic Materials
Abstract:In the protecting inert gas, Fe nanoparticles were successfully prepared by confined arc plasma method. The particle size, microstructure and...
1206