Tags: materials science

Tools (1-19 of 19)

  1. MD simulations of shock loading

    11 Jun 2015 | Tools | 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

    http://nanohub.org/resources/mdshocks

  2. Crack Propagation Simulation

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

    Simulate crack propagations through materials under applied loads.

    http://nanohub.org/resources/crackpropsim

  3. NanoPlasticity Lab

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

    A phase field approach to plastic deformation in nano crystalline materials

    http://nanohub.org/resources/nanoplasticity

  4. nanoMATERIALS nanoscale heat transport

    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

    http://nanohub.org/resources/nmstthermal

  5. Thermoelectric Power Factor Calculator for Superlattices

    18 Oct 2008 | Tools | 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

    http://nanohub.org/resources/slpf

  6. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | Tools | 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

    http://nanohub.org/resources/nccpf

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

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

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

    http://nanohub.org/resources/vkmlpsgg

  8. MD Simulation

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

    Code to perform Molecular Dynamics (MD) Simulations

    http://nanohub.org/resources/mdsim

  9. Rode's Method

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

    Calculates low field mobility in III-V semiconductors

    http://nanohub.org/resources/lfmobility

  10. CNDO/INDO

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

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO

  11. StrainBands

    15 Jun 2007 | Tools | 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.

    http://nanohub.org/resources/strainbands

  12. CNTbands

    14 Dec 2006 | Tools | 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.

    http://nanohub.org/resources/cntbands-ext

  13. nano-Materials Simulation Toolkit

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

    Molecular Dynamics simulations of nano-materials

    http://nanohub.org/resources/matsimtk

  14. SEST

    16 Jun 2006 | Tools | Contributor(s): Gang Li, Zhi Tang, Huijuan Zhao, Narayan Aluru

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

    http://nanohub.org/resources/sest

  15. CNTphonons

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

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

    http://nanohub.org/resources/cntphonons

  16. QC-Lab

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

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

    http://nanohub.org/resources/qclab

  17. Quantum Dot Lab

    12 Nov 2005 | Tools | 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.

    http://nanohub.org/resources/qdot

  18. Resonant Tunneling Diode Simulator

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

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

    http://nanohub.org/resources/rtd

  19. MSL Simulator

    17 Jun 2005 | Tools | Contributor(s): K. J. Cho

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

    http://nanohub.org/resources/msl