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Can we save lives with thermodynamics? Nanoengineering and Thermofluids for the Water-Food-Energy Nexus
27 Apr 2017 | Online Presentations | Contributor(s): David M. Warsinger
Climate change, degrading water resources, and economic and population growth are increasing the need for new science and technologies at the Water-Energy-Food Nexus. In enabling new and improved...
Learning Module: Microcantilevers
09 Feb 2017 | Teaching Materials | 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...
Piezo Nanomaterials and Green Energy
19 Oct 2016 | Online Presentations | Contributor(s): Rusen Yang
This presentation will introduce the fundamental principle of nanogenerator and its potential applications.
High Accuracy Atomic Force Microscope with Self-Optimizing Scan Control
19 Sep 2016 | Online Presentations | Contributor(s): Ryan (Young-kook) Yoo
Atomic force microscope (AFM) is a very useful instrument in characterizing nanoscale features, However, the original AFM design, based on piezo-tube scanner, had slow response and non-orthogonal...
Nanotechnology and the NAE Grand Challenge Make Solar Energy Economical
20 Jun 2016 | Teaching Materials | Contributor(s): Edward Davis, Virginia A. Davis
This group of materials is designed to provide a framework to teach students in an introductory engineering course basic nanotechnology concepts. The materials use the NAE grand challenge...
MD simulations of shock loading
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29 Dec 2015 | Tools | Contributor(s): edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan
Use MD simulation to study shocks in various materials including metals and energetics
Dec 07 2015
10th Symposium on Advanced Materials Science and Nanotechnology (SCiMAN10)
Reproducing results of "Thermal transport in SiGe superlattice thin films and nanowires"
27 Mar 2015 | Papers | Contributor(s): Alejandro Strachan, Jonathan Mark Dunn
In this document we show how to reproduce results in the paper "Thermal transport in SiGe superlattice thin films and nanowires", Keng-hua Lin, and Alejandro Strachan Physical...
Reproducing DFT calculations of Al2O3/GaAs interface structure and Fermi level pinning
18 Mar 2015 | Presentation Materials | Contributor(s): Alejandro Strachan
The goal of this resource is to demonstrate how to reproduce the results of the following research paper using the nanoMATERIALS SeqQuest DFT simulation tool on nanoHUB. In...
Crack Propagation Simulation
13 Mar 2015 | Tools | Contributor(s): hojin kim, Nilofer Rajpurkar, Benjamin P Haley, Alejandro Strachan
Simulate crack propagations through materials under applied loads.
Homework assignment: learning about elastic constants via molecular dynamics simulations
11 Mar 2015 | Teaching Materials | Contributor(s): Alejandro Strachan, David Ray Johnson
In this homework assignment students will use molecular dynamics to compute the elastic constants of metals using an embedded atom model to describe atomic interactions. They will deform a...
Melting via molecular dynamics simulations
10 Mar 2015 | Teaching Materials | Contributor(s): Alejandro Strachan
In this assignment you will use MD simulations to study melting in metals using the nanoMATERIALS simulation tool in nanoHUB. You will build a supercell and heat it up to study its melting. You...
OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules
21 Feb 2015 | Teaching Materials | Contributor(s): Alejandro Strachan
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study bonding in two simple molecules: H2 and He2. The tutorial shows how to...
OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure and bonding in the O2 molecular. The...
OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom
In this tutorial students will use density functional theory (DFT) calculations using the nanoHUB tool SeqQuest to study the electronic structure of the oxygen atom. The tutorial shows...
Gustavo Medeiros Azevedo
Franck-Condon Overlap Integrals
29 May 2014 | Downloads | Contributor(s): Bryan M. Wong
Franck-Condon Overlap Integrals: calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock [J. Chem. Phys., 41, 3453 (1964)].