Numerical simulation of nanoparticle melting inside a matrix

Author: Storozhev V.  

Publisher: MAIK Nauka/Interperiodica

ISSN: 1061-933X

Source: Colloid Journal, Vol.72, Iss.6, 2010-12, pp. : 837-845

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Abstract

A theoretical model is proposed for describing the melting of a metal nanoparticle embedded into a solid matrix. The model is based on a thermodynamic approach that takes into account matrix elasticity. The melting process is described for gold nanoparticles embedded in a solid matrix whose elastic modulus is varied in a wide range. Both spherical and ellipsoidal particles are considered. It is shown that particle melting temperature can be both higher and lower than the melting point of a bulk sample depending on the interaction intensity of the solid and liquid particle surfaces with the matrix. An increase in the shear modulus of the matrix causes a rise in the nanoparticle melting temperature, with the effect of the matrix elasticity becoming noticeable at some critical shear modulus. The conditions are revealed at which only a surface layer of a nanoparticle, the thickness of which depends on the particle radius and temperature, is melted.