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Spectral phonon relaxation time calculation tool by using normal mode analysis based on molecular dynamics
19 Jan 2016 | Tools | Contributor(s): Tianli Feng, 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
0.0 out of 5 stars
26 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).
Tutorial 3a: Materials Simulation by First-Principles Density Functional Theory I
14 Sep 2010 | Online Presentations | Contributor(s): Umesh V. Waghmare
This lecture provides an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and...
4.0 out of 5 stars
19 May 2006 | Tools | Contributor(s): Hong-Hyun Park, Lang Zeng, Matthew Buresh, Siqi Wang, Gerhard Klimeck, Saumitra Raj Mehrotra, Clemens Heitzinger, Benjamin P Haley
Simulate 3D nanowire transport in the effective mass approximation with phonon scattering and 3D Poisson self-consistent solution