Tags: thermal conductivity

All Categories (1-14 of 14)

  1. THERMAL CNT

    23 May 2017 | | Contributor(s):: Luca Bergamasco, Matteo Fasano, Eliodoro Chiavazzo, Pietro Asinari, Annalisa Cardellini, Matteo Morciano

    Compute thermal conductivity of single-walled carbon nano-tubes via NEMD method

  2. Spectral Phonon Relaxation Time Calculation Tool Based on Molecular Dynamics

    27 Jul 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...

  3. Fundamentals of Phonon Transport Modeling L2: MD Simulation, Green Kubo, Direct Method

    03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey

    Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.

  4. Fundamentals of Phonon Transport Modeling L3: Harmonic Lattice Dynamics, Spectral Methods

    03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey

    Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.

  5. Fundamentals of Phonon Transport Modeling L4: Anharmonic Lattice dynamics, First Principles

    03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan

    Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.

  6. Fundamentals of Phonon Transport Modeling L5: Phonon-Boundary and Phonon-Defect Scattering

    03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan

    Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.

  7. Fundamentals of Phonon Transport Modeling L6: Phonon-Electron Coupling and Non-equilibrium

    03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey

    Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.

  8. Spectral phonon relaxation time calculation tool by using normal mode analysis based on molecular dynamics

    24 Oct 2015 | | Contributor(s):: Tianli Feng, Divya Chalise, Xiulin Ruan

    Calculate the spectral phonon relaxation time in solids based on molecular dynamics.

  9. Lorentzian fitting tool for phonon spectral energy density and general use

    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).

  10. Reproducing results of "Thermal transport in SiGe superlattice thin films and nanowires"

    27 Mar 2015 | | Contributor(s):: Alejandro Strachan, Jonathan Mark Dunn

    In this document we show how to reproduce results in the paper "Thermal transport in SiGe superlattice thin films and nanowires", Keng-hua Lin, and Alejandro Strachan Physical Review B 87, 115302 (2011) using the nanoMATERIALS nanoscale heat transport tool in nanoHUB....

  11. Isotropic random fracture model for metal hydride powder

    03 Oct 2011 | | Contributor(s):: Kyle Christopher Smith, Timothy S Fisher

    Metal hydrides can be used to store hydrogen on-board fuel cell vehicles, but the process of fracture which such materials undergo when exposed to hydrogen makes them poor conductors of the heat generated during hydriding. This fracture process creates particles having irregular faceted shapes...

  12. 2d Ideal Gas Molecular Dynamics

    01 Sep 2011 | | Contributor(s):: Terence Musho, Greg Walker

    Simulation of a 2d molecular gas with specified temperature boundary conditions

  13. Experiments and Models Regarding Strain Dependent Thermal Conductivity and Strength at the Nanoscale and Microscale

    02 Jul 2011 | | Contributor(s):: Vikas Tomar

    Silicon micro- and nano-structures are essential in today’s integrated circuits and sensors. The functioning and performance of such devices are highly affected by thermal properties. Due to the size effect, the thermal properties of bulk silicon cannot represent those of silicon...

  14. nanoMATERIALS nanoscale heat transport

    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