Tags: materials science

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Description

Materials science is the understanding and application of properties of matter. Materials science studies the connections between the structure of a material, its properties, methods of processing and performance for given applications.

Please see the nanoHUB Group Materials Science for highlighted materials science related items.

For educators please see the nanoHUB group MSE Instructional Exchange

For the latest tools that combine materials science with machine learning and data science see the nanoHUB group Data Science and Machine Learning

Tools (81-100 of 118)

  1. MiniMol: Minimal Molecular Simulation Tool

    Tools | 18 Mar 2011 | Contributor(s):: Ellad B Tadmor, Ron Earle Miller, Ryan S Elliott

    Perform simple molecular dynamics and statics simulations.

  2. Brillouin Zone Viewer

    Tools | 25 Jan 2011 | Contributor(s):: Prasad Sarangapani, Arun Goud Akkala, Sebastian Steiger, Hong-Hyun Park, Yosef Borga, Tillmann Christoph Kubis, Michael Povolotskyi, Gerhard Klimeck

    Visualize Brillouin zones of different crystals and different unit cells

  3. Crack Propagation Lab

    Tools | 06 Dec 2010 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman

    Models supersonic crack propagation in a 2D triangular lattice

  4. Nanowire Tensile Deformation Lab

    Tools | 17 Aug 2010 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman

    Simulates tensile deformation of a copper nanowire

  5. Berkeley GW

    Tools | 27 Sep 2009 | Contributor(s):: Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

    This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

  6. Amorphous Silicon Generator

    Tools | 21 Oct 2010 | Contributor(s):: Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe, Vardhan Solanki

    a-Si:H Generator

  7. Illinois Tool: FIONA (Fluorescence Imaging with One Nanometer Accuracy)

    Tools | 01 Nov 2010 | Contributor(s):: Paul R Selvin, Raheem Syed, Nahil Sobh

    Fluorescence Imaging with One Nanometer Accuracy

  8. Polymer Modeler

    Tools | 28 Jun 2010 | Contributor(s):: Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan

    Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties

  9. DFT calculations with Quantum ESPRESSO

    Tools | 07 Jul 2010 | Contributor(s):: Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley

    DFT calculations of molecules and solids

  10. Gibbs

    Tools | 29 Aug 2009 | Contributor(s):: Thomas Cool, R. Edwin Garcia, Alex Bartol, Jarrod Lund

    Python-based libraries for the calculation of phase diagrams and thermodynamic properties

  11. nanoMATERIALS SeqQuest DFT

    Tools | 04 Feb 2008 | Contributor(s):: Ravi Pramod Kumar Vedula, Greg Bechtol, Benjamin P Haley, Alejandro Strachan

    DFT calculations of materials

  12. MIT Tools for Energy Conversion and Storage

    Tools | 13 Sep 2009 | Contributor(s):: Jeffrey C Grossman, Joo-Hyoung Lee, Varadharajan Srinivasan, Alexander S McLeod, Lucas Wagner

    Atomic-Scale Simulation Tools to Explore Energy Conversion and Storage Materials

  13. SIESTA

    Tools | 05 Mar 2008 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton

    Use SIESTA to perform electronic structure calculations

  14. Thermoelectric Power Factor Calculator for Superlattices

    Tools | 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

  15. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    Tools | 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

  16. Virtual Kinetics of Materials Laboratory: Spinodal Decomposition 3D

    Tools | 04 Aug 2008 | Contributor(s):: Michael Waters, R. Edwin Garcia, Alex Bartol

    Simulates the Time-Dependent Segregation of Two Chemical Components

  17. Virtual Kinetics of Materials Laboratory : Spinodal Decomposition

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

    Applies the Classic Cahn-Hilliard Equation to Simulate the Chemical Segregation of Two Phases (2D)

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

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

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

  19. Virtual Kinetics of Materials Laboratory: Dendritic Growth

    Tools | 24 Jun 2008 | Contributor(s):: Michael Waters, R. Edwin Garcia, Alex Bartol

    Simulates the Dendritic Solidification of a Single Spherical Nuclei

  20. ABINIT

    Tools | 13 May 2004 | Contributor(s):: Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck

    Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface