Tags: materials science

Tools (1-19 of 19)

  1. CNDO/INDO

    09 Oct 2007 | | Contributor(s):: Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

  2. CNTbands

    14 Dec 2006 | | Contributor(s):: Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed

    This tool simulates E-k and DOS of CNTs and graphene nanoribbons.

  3. CNTphonons

    30 May 2006 | | Contributor(s):: Marcelo Kuroda, Salvador Barraza-Lopez, J. P. Leburton

    Calculates the phonon band structure of carbon nanotubes using the force constant method.

  4. Crack Propagation Simulation

    06 Aug 2014 | | Contributor(s):: hojin kim, Nilofer Rajpurkar, Benjamin P Haley, Alejandro Strachan

    Simulate crack propagations through materials under applied loads.

  5. MD Simulation

    31 Mar 2008 | | Contributor(s):: Sanket S Mahajan, Ganesh Subbarayan, Xufeng Wang

    Code to perform Molecular Dynamics (MD) Simulations

  6. MD simulations of shock loading

    11 Jun 2015 | | Contributor(s):: edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan

    Use MD simulation to study shocks in various materials including metals and energetics

  7. MSL Simulator

    17 Jun 2005 | | Contributor(s):: Kyeongjae Cho

    Easy-to-use interface for designing and analyzing electronic properties of different nano materials

  8. nano-Materials Simulation Toolkit

    08 Aug 2006 | | Contributor(s):: Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri

    Molecular Dynamics simulations of nano-materials

  9. 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

  10. NanoPlasticity Lab

    02 Aug 2013 | | Contributor(s):: Martin Hunt, Lei Cao, Alejandro Strachan, Marisol Koslowski

    A phase field approach to plastic deformation in nano crystalline materials

  11. QC-Lab

    14 Feb 2006 | | Contributor(s):: Baudilio Tejerina

    Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

  12. Quantum Dot Lab

    12 Nov 2005 | | Contributor(s):: Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, Hong-Hyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck

    Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.

  13. Resonant Tunneling Diode Simulator

    10 Oct 2005 | | Contributor(s):: Michael McLennan

    Simulate 1D resonant tunneling devices and other heterostructures via ballistic quantum transport

  14. Rode's Method

    28 Mar 2007 | | Contributor(s):: Mohamed Mohamed, Anjali Bharthuar, Umberto Ravaioli

    Calculates low field mobility in III-V semiconductors

  15. SEST

    16 Jun 2006 | | Contributor(s):: Gang Li, Zhi Tang, huijuan zhao, Narayan Aluru

    Compute the strain effects on the thermal properties of bulk crystalline silicon

  16. StrainBands

    15 Jun 2007 | | Contributor(s):: Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler

    Explore the influence of strain on first-principles bandstructures of semiconductors.

  17. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | | Contributor(s):: Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions

  18. Thermoelectric Power Factor Calculator for Superlattices

    18 Oct 2008 | | Contributor(s):: Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions

  19. Virtual Kinetics of Materials Laboratory : Polycrystalline Growth and Coarsening

    29 Jul 2008 | | Contributor(s):: Michael Waters, R. Edwin Garcia, Alex Bartol

    Simulates Growth, Impingement, and Coarsening of a Two Dimensional Polycrystal