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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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Feedback and Suggestions for this Activity
Q&A|Closed | Responses: 6
Greetings!
If you have used "Visualizing Crystal Structures: An interactive group classroom activity" personally,...
https://nanohub.org/answers/question/1893
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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...
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Nanotechnology Invention and Design: Phase Changes, Energy, and Crystals
Teaching Materials | 11 Jan 2017 | Contributor(s):: Daniella Duran, NNCI Nano
This 3-part lesson introduces the nanoscale effect of various energy inputs on the crystal lattice of a smart material, Nitinol, and then invites students to become nanotechnology inventors. Students will first explore how energy exchanges lead to solid-state phase changes at the macroscale and...
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jesus alexis Gonzalez
https://nanohub.org/members/161639
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Visualizing Crystal Structures: An interactive group classroom activity
Teaching Materials | 11 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...
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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)...
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Adria LÆ°Æ¡ng
https://nanohub.org/members/143929
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Muddiest Points: Crystal Defects and Burgers Vectors
Collections |
01 Mar 2016 |
Posted by Tanya Faltens
https://nanohub.org/groups/materials/collections/videos--tensile-testing-dislocations-plastic-deformation
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Peter Carl Metz
https://nanohub.org/members/99185
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[Illinois] A Microfluidic Approach for Cocrystallization of Drugs and Analysis via X-ray Diffraction
Online Presentations | 16 Dec 2013 | Contributor(s):: Elizabeth Horstman
The process of pharmaceutical drug development is cost- and time-intensive. Candidate drugs (CDs) are screened with many counter ions (salt or cocrystal formers) to find solid forms of the drug with appropriate physicochemical (e.g., solubility, dissolution rate) properties. Cocrystals are...
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Crystal Viewer 2.0
Online Presentations | 12 Nov 2013 | Contributor(s):: Kevin Margatan
nanoHUB is an online compilation of tools for simulations. Equipped with 3-D simulations and a capability to solve very complex calculations, nanoHUB provides its users worldwide with various tools to help them finish their assignments. One of the tools available is called a Crystal Viewer Tool,...
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Quick and Easy Guide to Carbon Structure Simulations using Crystal Viewer Tool
Teaching Materials | 30 Sep 2013 | Contributor(s):: Tanya Faltens
These are step-by-step instructions for creating simulations of carbon nanostructures:- buckly ball- carbon nanotubes- graphene sheetsThese instructions will allow teachers to run simulations that students can use along with, or instead of, building 3D models of structures.In NanoDays 2013 at...
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[Illinois] ECE 416 Avidin-Biotin and Surface Functionalization I
Online Presentations | 08 May 2013 | Contributor(s):: Brian Cunningham
In this lecture, we start off by taking a look at X-Ray Crystallography and how it is used to understand how biomolecules binding works. The x-ray data is processed by computer algorithms to determine coordinates of all atoms in...
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Crystal Viewer Tool Learning Materials
Wiki
By completing the Crystal Viewer Lab in ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors, users will be able to understand: a) crystals,b) crystal...
https://nanohub.org/wiki/CrystalViewerPage
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Unit Cell Ranking Tasks
Teaching Materials | 15 Oct 2012 | Contributor(s):: Tanya Faltens
This set of ranking tasks is designed to help the learner work with and understand some of the features of common structures: planar densities, atomic densities, atomic packing factor and coordination numbers of different planes and unit cells. There are four pages-- be sure to click on...
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Bhaskar Das
https://nanohub.org/members/69207
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Solar Cells Lecture 4: What is Different about Thin-Film Solar Cells?
Online Presentations | 29 Aug 2011 | Contributor(s):: Muhammad A. Alam
Thin film solar cells promise acceptable efficiency at low cost. This tutorial examines the device physics of thin-film solar cells, which generally require a different type of analysis than crystalline solar cells.
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CHM 696 Lecture 2: Molecular Recognition of polar and Apolar Organic Molecules
Online Presentations | 22 Feb 2011 | Contributor(s):: Alexander Wei
Molecular recognition of polar and apolar organic molecules;Catenanes and rotaxanes;p-p, p-cation, and dispersion forces;Enthalpy-entropy compensation.
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ABACUS: Test for Crystal Viewer Tool
Teaching Materials | 05 Aug 2010 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck
The objective of this test is to give an idea to a self-learning students or to instructors in the case this test is used in a classroom the level of understanding of this topic when students have gone through the learning material, worked exercises and have completed the assignments and the...