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Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn

Open Access Theses

Molecular dynamics (MD) simulations provide a useful and simple means of calculating the nanoscale thermal properties of materials, which requires special analysis since the thermal properties of materials change when their dimensions reach the nanoscale. In this research, MD is used to investigate the nanoscale phonon thermal transport of materials that are attracting much interest in the areas of materials science and nuclear physics. In order to evaluate two distinct methods of calculating the thermal conductivity of materials using MD, the simulation methods are first applied to Si. Once an understanding of each simulation method is established, they are then …