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arXiv · 1501.01735

Can nano-particle stand above the melting temperature of its fixed surface partner?

Xu Yuanyuan·Kang Kai·Qin Shaojing
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Abstract

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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Xu Yuanyuan, Kang Kai, Qin Shaojing. 2015-01-08. Can nano-particle stand above the melting temperature of its fixed surface partner?. https://arxiv.org/abs/1501.01735

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