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Melting with Molecular Dynamics
Teaching Materials | 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...
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Nanoscale Tensile Testing with Molecular Dynamics
Teaching Materials | 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...
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Dislocation Structure and Propagation with Molecular Dynamics
Teaching Materials | 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.
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Ductile and Brittle Failure in Metals with Molecular Dynamics
Teaching Materials | 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...
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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...
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Ionization Potential of Small Molecules Using DFT
Teaching Materials | 27 Aug 2018 | Contributor(s):: Alejandro Strachan
Use DFT simulations to explore the ionization potential (energy required to remove an electron) in atoms and small molecules. Disclaimer: While very powerful, DFT makes well known approximations and the results obtained in this module are approximate.
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Unit Cells and Crystal Structures
Teaching Materials | 27 Aug 2018 | Contributor(s):: Kristi Jean, Deb Newberry (editor), James Marti (editor), Nano Link
In this module students create a saturated solutions using Borax and sodium acetate. Upon drying, each crystal will have a different shape. The shape at the macro level is driven by the arrangement of atoms. This repeating arrangement of atoms – which defines a crystal structure –...
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Thin Films
Teaching Materials | 27 Aug 2018 | Contributor(s):: NISE Net, Deb Newberry (editor), Christopher Lee Kumm (editor), James J Marti (editor), Nano Link
In this module, students will learn about the optical properties of thin films. Students will perform an experiment where they will apply a thin film to a piece of card stock paper. The students can then observe the optical properties of the thin film. This resource contains multiple documents...
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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...
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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...
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Using DFT to Predict the Equilibrium Lattice Parameter and Bulk Modulus of Crystalline Materials
Teaching Materials | 23 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...
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Using DFT to Simulate the Band Structure and Density of States of Crystalline Materials
Teaching Materials | 23 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...
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Computer Modeling Module: Chemical Reaction Simulation using SIESTA
Teaching Materials | 23 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...
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Learning Module: Microcantilevers - Instructor Materials
Teaching Materials | 09 Feb 2017 | Contributor(s):: Southwest Center for Microsystems Education (SCME)
This learning module is an overview of microcantilevers, how they work and how they are used in micro and nanotechnology. These are the instructor materials.
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Learning Module: Microcantilevers
Teaching Materials | 09 Feb 2017 | Contributor(s):: Southwest Center for Microsystems Education (SCME)
This learning module introduces you to the microcantilever, its applications in micro and nanotechnologies, its use in sensor arrays, and how it works in both static and dynamic modes of operation. There is a pre and post-test, four (4) informational units (PKs), and two (2)...
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DFT
Teaching Materials | 17 Jan 2017
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Thermodynamics
Teaching Materials | 17 Jan 2017
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Mechanics
Teaching Materials | 17 Jan 2017
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Kinetics
Teaching Materials | 17 Jan 2017
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Lines on Paper
Teaching Materials | 11 Jan 2017 | Contributor(s):: Joshua LaForge, NNCI Nano
Students will learn how scientists use a process called X-ray diffraction to figure out the structure of things that are too small to see such as atoms, molecules, and crystal structures.This lab will help students understand how light is bent into different directions as it interacts with...