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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
28 Jun 2017 | Tools | 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
24 Oct 2015 | Tools | 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
20 Oct 2015 | Tools | 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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03 Nov 2010 | Tools | 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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