Tags: NCN Group - Materials Science

Description

Education group: Materials Science.

Materials Science.

All Categories (1-20 of 107)

  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. Machine Learning for Materials Science: Part 1

    09 Feb 2019 | | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan, Saaketh Desai

    Machine learning and data science tools applied to materials science

  9. Learning Module: Band Structure for Pure and Doped Silicon

    10 Dec 2018 | | Contributor(s):: Peilin Liao

    In this lab, students will learn to perform online density functional theory (DFT) simulations to compute band structures and density of states (DOS) for pure and doped Si using the DFT Material Properties Simulator available on nanoHUB. The students will work with crystalline pure and doped...

  10. 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

  11. Surface Evolver GUI

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

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

  12. Fracture Behavior (with Cheese!)

    21 Jun 2018 | | Contributor(s):: Jessica Anne Krogstad

    This presentation introduces fracture behavior of materials with historical context.  Several common fracture mechanisms are introduced in the context of fracture surfaces.   We also provide examples of common testing configurations relevant to the companion lab...

  13. Understanding Fracture Behavior in Materials Using Cheese

    19 Jun 2018 | | Contributor(s):: Jessica Anne Krogstad, Nicole E Johnson-Glauch, Kaitlin Tyler, Rachael Mansbach, Andrew Ferguson

    This is a resource from the Girls Learning About Materials (GLAM) outreach camp run at the University of Illinois at Urbana-Champaign. The learning objectives for this activity are: Students will compare and contrast different types of fracture behavior (ductile/brittle). Students...

  14. Purdue ME 323

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

    Mechanics of Materials using Jupyter Notebooks

  15. Understanding and Optimizing Exploratory Hydrothermal Reactions

    22 Jan 2018 | | Contributor(s):: Alex Norquist

    In this work, an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites is demonstrated. Archived ‘dark’ reactions, both failed and successful attempts at hydrothermal...

  16. MSE educational tool: crystal structures, reciprocal lattice & symmetry

    04 Jan 2018 | | Contributor(s):: Nolan Andrew Miller, Peilin Liao

    Educational notebooks for studying crystal structures

  17. MSE educational tool: visualization of stacking faults

    28 Nov 2017 | | Contributor(s):: Peilin Liao

    Visualize stacking faults in FCC and BCC crystals

  18. MSE educational tool: elastic moduli calculations

    22 Nov 2017 | | Contributor(s):: Peilin Liao

    Illustrate how to calculate elastic constants for crystals

  19. MSE educational tool: X-ray diffraction (XRD) pattern

    01 Sep 2017 | | Contributor(s):: Peilin Liao

    XRD pattern for BCC and FCC metals

  20. Using DFT to Predict the Equilibrium Lattice Parameter and Bulk Modulus of Crystalline Materials

    22 Aug 2017 | | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois

    This activity guides users through the use of DFT calculations with Quantum ESPRESSO in nanoHUB to calculate the total energy of a crystal structure.  By varying the volume of the structure, and calculating the associated energies, the equilibirum structure can be found.  Users are...