Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)
09 Aug 2018 | Tools | Contributor(s): Prabudhya Roy Roy Chowdhury, Adam Sandor Garrett, Colleen Reynolds, Xiulin Ruan
Perform a genetic algorithm to optimize superlattice structures.
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).
Two-temperature Non-equilibrium Molecular Dynamics Simulator
26 Jul 2012 | Tools | Contributor(s): Yan Wang, Xin Jin, Xiulin Ruan
Simulate electron-phonon coupled thermal transport across metal-nonmetal interface
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