Tags: NCN Group - Materials Science

Description

Education group: Materials Science.

Materials Science.

All Categories (1-20 of 76)

  1. Materials Science Modules with Molecular Dynamics

    25 Nov 2019 | | Contributor(s):: Sam Reeve, Alejandro Strachan

    This module uses the Nanomaterial Mechanics Explorer: https://nanohub.org/tools/nanomatmech

  2. Crystal Viewer Lab (New Interactive Front End)

    16 Aug 2019 | | Contributor(s):: Daniel F Mejia, Gerhard Klimeck, Yuanchen Chu

    Visualize and interact with various Crystalline Materials and all Bravais Lattices

  3. Martensitic Transformations with Molecular Dynamics

    21 Feb 2019 | | Contributor(s):: Sam Reeve, Alejandro Strachan

    In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of martensitic transformations and analyze the results in order to: Describe the atomistic process of martensitic, solid-solid phase transitions Compare different martensitic alloys,...

  4. Melting with Molecular Dynamics

    21 Feb 2019 | | Contributor(s):: Sam Reeve, Alejandro Strachan

    In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB to melt nickel samples and analyze the results in order to: Understand the process of melting at atomic scales Identify effects of surfaces and specimen size Describe differences...

  5. Nanoscale Tensile Testing with Molecular Dynamics

    21 Feb 2019 | | Contributor(s):: Sam Reeve, Alejandro Strachan

    In this computational lab you will perform online molecular dynamics (MD) simulations through nanoHUB of single-crystal copper nanowires under uniaxial tension of varying orientations and analyze the results in order to: Observe how slip planes in single-crystal nanowires are formed and...

  6. Dislocation Structure and Propagation with Molecular Dynamics

    20 Feb 2019 | | Contributor(s):: Sam Reeve, Alejandro Strachan

    In this computational lab you will learn about dislocations via online molecular dynamics (MD) simulations using nanoHUB. The simulations involve various types of dislocations in FCC and BCC crystals.

  7. Ductile and Brittle Failure in Metals with Molecular Dynamics

    20 Feb 2019 | | Contributor(s):: Sam Reeve, Alejandro Strachan

    In this computational lab you will perform online molecular dynamics (MD) simulations of nanoscale cracks under uniaxial tension through nanoHUB. Simulations with varying temperature and crystal structure will provide information to: Distinguish the atomistic mechanisms of ductile and...

  8. TensorFlow Tutorials

    03 Dec 2018 | | Contributor(s):: Juan Carlos Verduzco Gastelum, Saaketh Desai, Alejandro Strachan

    Ready-to-run Jupyter notebooks for machine learning using Tensorflow and Keras

  9. Surface Evolver GUI

    12 Oct 2018 | | Contributor(s):: Kevin K Ngo, Lucas Darby Robinson, John Blendell

    A GUI for the Surface Evolver to simulate polycrystalline grain growth in thin films.

  10. Purdue ME 323

    19 Mar 2018 | | Contributor(s):: Peter Kolis, Marisol Koslowski

    Mechanics of Materials using Jupyter Notebooks

  11. OpenKIM Explorer

    09 Jun 2015 | | Contributor(s):: Dan Karls, Benjamin P Haley, Alejandro Strachan, Ryan S Elliott, Ellad B Tadmor

    Run interatomic potentials from the OpenKIM Repository in LAMMPS

  12. Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files

    24 Mar 2016 | | Contributor(s):: Tanya Faltens

    This document describes how to generate and download simulation output files from the Nanomaterial Mechanics Explorer on nanoHUB and view them locally using OVITO. This can be particularly useful for more advanced manipulations of the trajectory files, and for sharing files with others, such...

  13. Uncertainty Quantification in Materials Modeling: Topics on Uncertainty Quantification

    21 Mar 2016 | | Contributor(s):: Alejandro Strachan

    This is the seminar portion of the NCN and NEEDS 2015 Summer School consisting of presentations related to uncertainty quantification.

  14. Polymer Synthesis and Characterization in the Cloud: a nanoHUB Classroom Experience

    22 Jan 2016 | | Contributor(s):: Coray Colina

    In this talk, I’ll share the experience of teaching a junior undergraduate computational course in materials science and engineering, with over 70 participants. Both molecular and continuum methods were studied and applied to relevant materials problems. Students were able to build and...

  15. Molecular Exploration Tool

    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.

  16. Grain Boundary Diffusion Calculator

    25 Sep 2015 |

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

  17. ab initio simulations with ORCA

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

    ab initio and density functional theory calculations dedicated to molecular systems

  18. Nanomaterial Mechanics Explorer

    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

  19. nuSIMM: nanoHUB user Simulation Interface for Molecular Modeling

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

    Simulated polymerization, equilibration, and characterization of molecular models

  20. MSE 498: Computational Materials Science and Engineering

    29 Mar 2015 | | Contributor(s):: Andrew Ferguson

          This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g.,...