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Full-Text Articles in Nanoscience and Nanotechnology
Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan
Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Thermal conductivity is an important material property which affects the performance of a wide range of devices from thermoelectrics to nanoelectronics. Information about phonon vibration modes and phonon relaxation time gives significant insight into understanding and engineering material’s thermal conductivity. Although different theoretical models have been developed for studying phonon modes and relaxation time, extensive knowledge of lattice dynamics and molecular dynamics is required to compute phonon modal frequencies and relaxation times. Therefore, a computational tool which can take simple inputs to calculate phonon mode frequencies and relaxation time will be beneficial. Through this research work, such computational tool has …
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 …