Spectral Phonon Relaxation Time Calculation Tool Based on Molecular Dynamics
07 Aug 2017 | Contributor(s): Divya Chalise, Tianli Feng, Xiulin Ruan
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...
Spectral analysis of non-equilibrium molecular dynamics
Tools | 28 Jun 2017 | Contributor(s): Tianli Feng, Yang Zhong, Divya Chalise, Xiulin Ruan
Extract the phonon modal temperature and heat flux from non-equilibrium molecular dynamics
Spectral phonon relaxation time calculation tool by using normal mode analysis based on molecular dynamics
Tools | 24 Oct 2015 | Contributor(s): Tianli Feng, Divya Chalise, Xiulin Ruan
Calculate the spectral phonon relaxation time in solids based on molecular dynamics.
Lorentzian fitting tool for phonon spectral energy density and general use
Tools | 20 Oct 2015 | Contributor(s): Tianli Feng, Xiulin Ruan
Fit a general data set (or specially the phonon spectral energy density) as a Lorentzian function to obtain the peak position (or phonon frequency) and full width at half maximum (or relaxation time).
nanoMATERIALS nanoscale heat transport
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Tools | 03 Nov 2010 | Contributor(s): Keng-Hua Lin, Sean Sullivan, Mathew Joseph Cherukara, Alejandro Strachan, Tianli Feng, Xiulin Ruan, Bo Qiu
Non-equilibrium MD simulations of heat transport in nano-materials
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