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Full-Text Articles in Nanoscience and Nanotechnology
Modal Phonon Transport Across Interfaces By Non-Equilibrium Molecular Dynamics Simulation, Yang Zhong, Tianli Feng, Xiulin Ruan
Modal Phonon Transport Across Interfaces By Non-Equilibrium Molecular Dynamics Simulation, Yang Zhong, Tianli Feng, Xiulin Ruan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Phonons represent the quantization of lattice vibration, responsible for heat transfer in semiconductors and dielectrics. Phonon heat conduction across interfaces is crucially important for the thermal management of real-life devices such as smartphones, electric vehicles, and satellites. Although recent studies have broadly investigated spectral phonon contribution to lattice thermal conductivity, the mechanism of phonon modal transport across interfaces is still not well-understood. Previous models, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), only consider elastic process while neglecting inelastic phonon contributions. Herein, we employ spectral Non-Equilibrium Molecular Dynamics Simulation (NEMD) to probe the temperature and heat flux …
Unsteady Nanoscale Thermal Transport Across A Solid-Fluid Interface, Ganesh Balasubramanian, Soumik Banerjee, Ishwar K. Puri
Unsteady Nanoscale Thermal Transport Across A Solid-Fluid Interface, Ganesh Balasubramanian, Soumik Banerjee, Ishwar K. Puri
Ganesh Balasubramanian
We simulate unsteady nanoscale thermal transport at a solid-fluidinterface by placing cooler liquid-vapor Ar mixtures adjacent to warmer Fe walls. The equilibration of the system towards a uniform overall temperature is investigated using nonequilibrium molecular dynamics simulations from which the heat flux is also determined explicitly. The Ar–Fe intermolecular interactions induce the migration of fluid atoms into quasicrystallineinterfacial layers adjacent to the walls, creating vacancies at the migration sites. This induces temperature discontinuities between the solidlikeinterfaces and their neighboring fluid molecules. The interfacial temperature difference and thus the heat flux decrease as the system equilibrates over time. The averaged interfacial …