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Tags: materials science

Resources (1-20 of 502)

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

    27 Mar 2015 | Papers | 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...

    http://nanohub.org/resources/22121

  2. Reproducing DFT calculations of Al2O3/GaAs interface structure and Fermi level pinning

    18 Mar 2015 | Presentation Materials | Contributor(s): Alejandro Strachan

    The goal of this resource is to demonstrate how to reproduce the results of the following research paper using the nanoMATERIALS SeqQuest DFT simulation tool on nanoHUB.  In...

    http://nanohub.org/resources/21646

  3. 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

  4. Homework assignment: learning about elastic constants via molecular dynamics simulations

    11 Mar 2015 | Teaching Materials | Contributor(s): Alejandro Strachan, David Ray Johnson

    In this homework assignment students will use molecular dynamics to compute the elastic constants of metals using an embedded atom model to describe atomic interactions. They will deform  a...

    http://nanohub.org/resources/21949

  5. Melting via molecular dynamics simulations

    10 Mar 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this assignment you will use MD simulations to study melting in metals using the nanoMATERIALS simulation tool in nanoHUB. You will build a supercell and heat it up to study its melting. You...

    http://nanohub.org/resources/22025

  6. OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules

    21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study bonding in two simple molecules: H2 and He2. The tutorial shows how to...

    http://nanohub.org/resources/21952

  7. OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule

    21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure and bonding in the O2 molecular. The...

    http://nanohub.org/resources/21954

  8. OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom

    21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan

    In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure of the oxygen atom. The tutorial shows...

    http://nanohub.org/resources/21956

  9. Franck-Condon Overlap Integrals

    29 May 2014 | Downloads | Contributor(s): Bryan M. Wong

    Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].

    http://nanohub.org/resources/21030

  10. IMA 2013 UQ: Bayesian Calibration of Molecular Dynamics Simulations for Composite Materials Properties

    28 May 2014 | Online Presentations | Contributor(s): Paul N. Patrone

    In this talk, I discuss ongoing research whose goal is to determine, via Bayesian inference, an ensemble of inputs that represents a class of commercially important amine-cured epoxies. We...

    http://nanohub.org/resources/20312

  11. 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

  12. A Python code for material composition lines - composition line utility

    11 Sep 2013 | Downloads | Contributor(s): Amritanshu Palaria

    In material science and chemical thermodynamics, phase diagrams play an important role. In composition-phase diagrams, compositions of the various components constitute, depending on how the...

    http://nanohub.org/resources/19375

  13. [Illinois] American Vacuum Society (AVS) Prairie Chapter Symposium 2012

    04 Jun 2013 | Workshops | Contributor(s): NanoBio Node

    The focus for the 2012 AVS Prairie Chapter meeting is Materials for Energy.

    http://nanohub.org/resources/18257

  14. Buckypaper

    17 Apr 2013 | Presentation Materials | Contributor(s): shaheen goel

    the presentation gives a basic idea about the buckypaper and give breif details about the synthesis properties and applications of buckypaper

    http://nanohub.org/resources/17607

  15. MSE 597GM Lecture 25: Transport in Rechargeable Batteries V

    05 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García

    http://nanohub.org/resources/16061

  16. MSE 597GM Lecture 24: Transport in Rechargeable Batteries IV

    05 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García

    http://nanohub.org/resources/16060

  17. MSE 597GM Lecture 23: Transport in Rechargeable Batteries III

    04 Dec 2012 | Online Presentations | Contributor(s): R. Edwin García

    http://nanohub.org/resources/15920

  18. MSE 597GM Project Feedback

    28 Nov 2012 | Online Presentations | Contributor(s): R. Edwin García

    http://nanohub.org/resources/15922

  19. MSE 597GM Lecture 22: Transport in Rechargeable Batteries II

    28 Nov 2012 | Online Presentations | Contributor(s): R. Edwin García

    http://nanohub.org/resources/15917

  20. [Illinois] CSE Seminar Series: Advances in First-principles Computational Materials Science

    20 Nov 2012 | Online Presentations | Contributor(s): Elif Ertekin

    Title: Advances in first-principles computational materials science Subtitle: Things we can calculate now, that we couldn't when I was in grad school. The capability to rationally design new...

    http://nanohub.org/resources/15919

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