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 (61-80 of 118)

  1. Molecular Exploration Tool

    Tools | 01 Aug 2014 | Contributor(s):: Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman

    The tool can display the molecule structures and run Lammps simulations.

  2. Particle Trajectory Diffusion Analysis

    Tools | 24 Sep 2015

    Computes mean squared displacements and tracer diffusion coefficients from particle position data as a function of time.

  3. Diffusion Calculator: HCP Dilute Solutes

    Tools | 25 Sep 2015 | Contributor(s):: Henry Wu, DANE MORGAN

    This tool calculates the diffusivity of a dilute solute in an HCP lattice with the 8-frequency model.

  4. Diffusion Calculator: FCC Dilute Solutes

    Tools | 25 Sep 2015 | Contributor(s):: Henry Wu, DANE MORGAN

    This tool calculates the diffusivity of a dilute solute in an FCC lattice with the 5-frequency model.

  5. Grain Boundary Diffusion Calculator

    Tools | 25 Sep 2015

    Calculates the effective diffusivity in a grain boundary network with two types of randomly distributed grain boundaries.

  6. 2-D Diffusion Game

    Tools | 28 Sep 2015 | Contributor(s):: Tam Mayeshiba

    Play a 2-D diffusion game

  7. ab initio simulations with ORCA

    Tools | 28 Jul 2015 | Contributor(s):: nicolas onofrio, Alejandro Strachan

    ab initio and density functional theory calculations dedicated to molecular systems

  8. Nanomaterial Mechanics Explorer

    Tools | 30 Jun 2015 | Contributor(s):: Sam Reeve, Christopher Chow, Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Kiettipong Banlusan, Saaketh Desai, Alejandro Strachan

    Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions

  9. DFT Material Properties Simulator

    Tools | 21 Jul 2015 | Contributor(s):: Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan, Peilin Liao, Robert Joseph Appleton

    Compute electronic and mechanical properties of materials from DFT calculations with 1-Click

  10. nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling

    Tools | 26 May 2015 | Contributor(s):: Michael Fortunato, Lauren Abbott, Kyle E Hart, coray colina

    Simulated polymerization, equilibration, and characterization of molecular models

  11. Crack Propagation Simulation

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

    Simulate crack propagations through materials under applied loads.

  12. LAMMPS

    Tools | 27 Mar 2014 | Contributor(s):: Benjamin P Haley

    Run LAMMPS by uploading a data file and command script.

  13. Continuous casting of weld filler wire

    Tools | 23 Oct 2014 | Contributor(s):: Kyle Fezi, Martin Hunt, Matthew John M. Krane, Benjamin P Haley, Alejandro Strachan

    The steady state solidification of continuous casting of weld filler wire is predicted using a 1D finite volume method.

  14. Powder Compaction

    Tools | 20 Jun 2014 | Contributor(s):: Chen Shang, Yuqi Fang, Carlos E Fernandez-Caban, Wentao Chen, Ayush Giri, Caroline Baker, Yasasvi Raghavendra Bommireddy, Ankit Agarwal, Marcial Gonzalez, Jesse Lee Hoffman, Isabel Bojanini, Melanie Hacopian, Vidal Lopez, Pedro Henrique Cidreiro Martins, Paul Beckwith

    This tool simulates the mechanical behavior of a binary mixture during compaction

  15. NanoPlasticity Lab

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

    A phase field approach to plastic deformation in nano crystalline materials

  16. Equilibrium Wulff Shape Generator

    Tools | 19 Jun 2012 | Contributor(s):: R. Edwin García, John Blendell

    Wulff Shape Generator

  17. VEDA: Virtual Environment for Dynamic AFM

    Tools | 30 May 2012 | Contributor(s):: Daniel Kiracofe, John Melcher, Arvind Raman, Sudharsan Balasubramaniam, Steven Douglas Johnson, Shuiqing Hu

    A suite of dynamic AFM simulators for air/liquid/vacuum on soft or hard samples.

  18. Electron Magnetic Resonance (EMR) in Nanoparticles

    Tools | 28 Nov 2011 | Contributor(s):: Natalia Noginova, Quincy Leon Williams, Rabia Hussain

    This tool simulates Electron Magnetic Resonance (EMR) absorption spectrum and its first derivative (the EMR signal) in Magnetic Nanoparticles (MNPs).

  19. XPS Thickness Solver

    Tools | 18 Dec 2011 | Contributor(s):: Kyle Christopher Smith, David A Saenz, Dmitry Zemlyanov, Andrey Voevodin

    Helps the user to determine the thickness of an overlayer material from XPS experiment data.

  20. nanoMATERIALS nanoscale heat transport

    0.0 out of 5 stars 

    Tools | 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