Phonon thermal conductivity of nanograined zirconium diboride: molecular dynamics study

Editorial Board PCSS Journal; O.O. Grygorenko; K.V. Popiuk; V.V. Kuryliuk

doi:10.15330/pcss.26.4.828-832

Authors

O.O. Grygorenko Taras Shevchenko National University of Kyiv, Faculty of Physics, Kyiv, Ukraine
K.V. Popiuk Taras Shevchenko National University of Kyiv, Faculty of Physics, Kyiv, Ukraine
V.V. Kuryliuk Taras Shevchenko National University of Kyiv, Faculty of Physics, Kyiv, Ukraine

DOI:

https://doi.org/10.15330/pcss.26.4.828-832

Keywords:

zirconium diboride, ceramics, nanograined, thermal conductivity, molecular dynamics

Abstract

In this study, the characteristics of phonon transport in single-crystal and nanograined zirconium diboride have been examined using the molecular dynamics method. In the case of single-crystal ZrB₂ the anisotropy of the phonon thermal conductivity decreased gradually with increasing temperature. The results demonstrate that a reduction in grain size in nanograined ZrB₂ leads to a decline in thermal conductivity. At a grain size of 1 nm, further reduction does not affect the thermal conductivity of the material. The findings are explained in terms of the scattering of heat carriers at the interfaces and the amorphization of the grain structure.

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