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Full-Text Articles in Nanoscience and Nanotechnology
Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn
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 …
Accurate Prediction Of Spectral Phonon Relaxation Time And Thermal Conductivity Of Intrinsic And Perturbed Materials, Tianli Feng
Accurate Prediction Of Spectral Phonon Relaxation Time And Thermal Conductivity Of Intrinsic And Perturbed Materials, Tianli Feng
Open Access Theses
The prediction of spectral phonon relaxation time, mean-free-path, and thermal conductivity can provide significant insights into the thermal conductivity of bulk and nanomaterials, which are important for thermal management and thermoelectric applications. We perform frequency-domain normal mode analysis (NMA) on pure bulk argon and pure bulk germanium. Spectral phonon properties, including the phonon dispersion, relaxation time, mean free path, and thermal conductivity of argon and germanium at different temperatures have been calculated. We find the dependence of phonon relaxation time τ on frequency ω and temperature T vary from ~ω-1.3 to ~ω-1.8 and ~T-0.8 to ~T-1.8 …