Size-Induced Freezing Effect in Monte-Carlo Simulations of Phase Separation Kinetics in Nanoparticles

A.S. Shirinyan; D.V. Lubyanskyy

doi:10.4028/www.scientific.net/DDF.277.167

Paper Titles

Numerical Simulation of Precipitates Evolution in Iron-Based Alloys
p.141

The Analysis of the Selective Oxidation of Multicomponent Alloy
p.149

Complex Phase Behavior of Systems with Negative Curvature Potentials
p.155

3D Monte Carlo Simulation of Phase Separation Kinetics in a Binary Metallic Alloy with Vacancy Mediated Diffusion: Effect of Initial Supersaturation
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Size-Induced Freezing Effect in Monte-Carlo Simulations of Phase Separation Kinetics in Nanoparticles
p.167

Diffusion during Powder Metallurgy Synthesis of Titanium Alloys
p.177

Composition Fluctuations in the Ostwald Ripening
p.187

Kinetic and Thermodynamic Precipitation Parameters of the Pb-Sn Solid Solutions
p.193

Surface Diffusion in Coadsorbed Layers with Different Mobilities of Adsorbates: (Li +Dy) on Mo(112) and (Li+Sr) on W(112)
p.201

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Size-Induced Freezing Effect in Monte-Carlo Simulations of Phase Separation Kinetics in Nanoparticles

Abstract:

The separation kinetics in a binary nanoparticle is studied by means of two-dimensional Monte-Carlo sampling and Ising-type model, where the species exchange positions due to vacancy mechanism. The model is developed in case of a free nanoparticle with a coating shell. The kinetics is shown to depend on the size of a nanosystem. We demonstrate a distinct size-induced freezing effect on kinetics of separation.