No CrossRef data available.
Development and Application of Chen-Mobius Lattice Inversion Potential for Pd-Au Alloy
Published online by Cambridge University Press: 19 March 2012
Bimetallic Pd-Au nanoparticles have received much attention due to their potential applications in catalysis. We have developed a Pd-Au alloy potential based on Chen-Mobius lattice inversion method and applied it to the investigation of the melting of Pd-Au binary nanoparticles via molecular dynamics simulations. Our simulation results show the particle size dependence of the melting point and an enrichment of Au atoms to the surface near melting temperature.
- MRS Online Proceedings Library (OPL) , Volume 1369: Symposium XX – Computational Studies of Phase Stability and Microstructure Evolution , 2011 , mrss11-1369-xx03-01
- Copyright © Materials Research Society 2012