The influence of surface boundary conditions on the phonon contribution to the melting temperature of nanoparticles

The phonon thermal contribution to the melting temperature of nano-particles is inspected. Unlike in periodic boundary condition, under a general boundary condition the integration volume of low energy phonon for a nano-particle is more complex. We estimate the size-dependent melting temperature thr...

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Veröffentlicht in:Physica. B, Condensed matter Condensed matter, 2016-01, Vol.481, p.133-136
Hauptverfasser: Xu, Yuanyuan, Kang, Kai, Qin, Shaojing
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Kang, Kai
Qin, Shaojing
description The phonon thermal contribution to the melting temperature of nano-particles is inspected. Unlike in periodic boundary condition, under a general boundary condition the integration volume of low energy phonon for a nano-particle is more complex. We estimate the size-dependent melting temperature through the phase shift of the low energy phonon mode acquired by its scattering on boundary surface. A nano-particle can have either a rising or a decreasing melting temperature due to the boundary condition effect, and we found that an upper melting temperature bound exists for a nano-particle in various environments. Moreover, the melting temperature under a fixed boundary condition sets this upper bound.
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subjects Boundaries
Boundary conditions
Condensed matter
Low energy
Melting
Melting temperature
Nano-particle
Nanoparticles
Nanostructure
Phonons
Surface boundary condition
Upper bound
title The influence of surface boundary conditions on the phonon contribution to the melting temperature of nanoparticles
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