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All Categories (41-60 of 162)

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

   Teaching Materials | 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...

2. TensorFlow Tutorials

   Tools | 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

3. Surface Evolver GUI

   Tools | 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.

4. Scaffolding Simulations in a Rate Processes of Materials Course

   Teaching Materials | 16 Aug 2018 | Contributor(s):: Susan P Gentry

   This learning resource describes a set of programming assignments that are used in a Rate Processes of Materials course. The assignments are designed around the pedagogical principle of scaffolding, in which students are given initial support structures that are gradually removed. The...

5. Fracture Behavior (with Cheese!)

   Online Presentations | 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...

6. Understanding Fracture Behavior in Materials Using Cheese

   Teaching Materials | 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...

7. 1D finite element analysis ME 323

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

   Mechanics of Materials using Jupyter Notebooks

8. Understanding and Optimizing Exploratory Hydrothermal Reactions

   Online Presentations | 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...

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

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

   Educational notebooks for studying crystal structures

10. MSE educational tool: visualization of stacking faults

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

    Visualize stacking faults in FCC and BCC crystals

11. MSE educational tool: elastic moduli calculations

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

    Illustrate how to calculate elastic constants for crystals

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

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

    XRD pattern for BCC and FCC metals

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

    Teaching 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...

14. Using DFT to Simulate the Band Structure and Density of States of Crystalline Materials

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

    In this activity, DFT is used to simulate the band structure and density of states of several crystalline semiconductors.  Users are instructed in how to use the Bilbao Crystallographic Server to select a path through the Brillouin zone for each structure. This activity is adapted from an...

15. Computer Modeling Module: Chemical Reaction Simulation using SIESTA

    Teaching Materials | 22 Aug 2017 | Contributor(s):: Lan Li

    This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders and the assignment are included. Learning outcomes: Get familiar with SIESTA tool and activation...

16. Visualizing Crystal Structures: An interactive group classroom activity

    Teaching Materials | 09 Nov 2016 | Contributor(s):: Susan Gentry, Tanya Faltens

    OverviewThis learning activity guides students through the visualization of three-dimensional crystal structures using the software package Ovito. Students work in groups manipulating crystal structures on their personal computers, ranking the planar densities of the (100), (110), and...

17. OpenKIM Explorer

    Tools | 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

18. How to View Atomic Planes in FCC, NaCl and Simple Cubic Structures using Crystal Viewer

    Teaching Materials | 27 Oct 2016 | Contributor(s):: Tanya Faltens

    This step by step guide shows how to view atomic planes in some common crystal structures. The crystal structures can be sliced along the planes, and the atomic packing of each plane investigated.  Examples are given for viewing the (110) plane in an FCC metal structure, the (100)...

19. M-file/Mif Automatic GEnerator

    Tools | 23 Sep 2016 | Contributor(s):: Jakub Chęciński

    A GUI tool for automatic generation of OOMMF configuration files and Matlab scripts for results analysis

20. Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files

    Teaching Materials | 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...