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A Guide to the MIT Atomic Scale Modeling Toolkit for nanoHUB.org
22 Nov 2022 | | Contributor(s):: Enrique Guerrero
This document is a guide to the Quantum ESPRESSO application within the >MIT Atomic Scale Modeling Toolkit The guide was designed to be presented as part II of the nanoHUB seminar “A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE) with the MIT...
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ABINIT: First-Time User Guide
09 Jun 2009 | | Contributor(s):: Benjamin P Haley
This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss the default simulation (what happens if you don't change any inputs, and just hit...
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Aerogel (Aerogel)
02 Jul 2020 | | Contributor(s):: Nano-Link Center for Nanotechnology Education, Carol E. Bouvier, James J Marti, Rodfal Alberto Rodriguez (editor), María Teresa Rivera (editor)
Los aerogeles son las sustancias semisólidas conocidas más livianas que existen. Los aerogeles de sílice o dióxido de silicio (SiO2) tienen la misma estructura química que la arena de sílice o el vidrio de las ventanas, pero tienen diferencias...
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Aerogels
05 Feb 2020 | | Contributor(s):: Carol Bouvier, James J Marti, Deb Newberry, Nano-Link Center for Nanotechnology Education
This module introduces aerogels, nicknamed “blue smoke.” Using exploratory activities this module introduces the nano structure of aerogels and the resulting extreme physical properties exhibited such as: thermal conductivity, transparency, and impact resistance. These properties...
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Cadmium Selenide Synthesis, Characterization and Modeling
22 Oct 2021 | | Contributor(s):: Shelby Hatch, Evan R. Trivedi, Baudilio Tejerina, George C. Schatz
This is a combined experiment/computational lab in which cadmium selenide quantum dot nanoparticles are synthesized, their spectra are studied, and the results are modeling using the CNDO/INDO semiempirical electronic structure code. Synthesis and Size Dependent Properties of CdSe Quantum...
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Carbon Nanotube Fracture
27 May 2021 | | Contributor(s):: Christine M Aikens, George C. Schatz, Marcelo Carignano
Due to their mechanical properties, carbon nanotubes (CNTs) hold promise as nanoreinforcements in a variety of composites. As a result, numerous theoretical and experimental studies have been performed in order to understand the behavior of CNTs under axial tension. Whereas quantum mechanical...
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Carbon NanoTubes: Structure - Properties - Applications
19 Mar 2012 | | Contributor(s):: Yuri A Kruglyak
Presentation slides for seminar given for students of Faculty of Computer Sciences of Odessa State Environmental University, Ukraine by Prof. Yuri Kruglyak on May 22, 2008.
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Chemical and Physical Properties of Endohedrally Doped Nanodiamonds
09 Nov 2022 | | Contributor(s):: Tomekia Simeon
The semiempirical electronic structure Parametric Method 3 (PM3) at the nanoHUB.org website is introduced to the student in this assignment. In particular, this semiempirical method is applied to study dopant semiconductor materials intercalated in two types of nanodiamond (ND) complexes:...
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Computational Nanoscience, Lecture 3: Computing Physical Properties
11 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture, we'll cover how to choose initial conditions, and how to compute a number of important physical observables from the MD simulation. For example, temperature, pressure, diffusion coefficient, and pair distribution function will be highlighted. We will also discuss briefly the...
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Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
13 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...
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Dancing Magnets - Ferrofluids Lab
28 Dec 2016 | | Contributor(s):: SHINE Project, SHINE Project
This lab consists of activities designed to teach students about ferrofluids and how nanotechnology can be used to modify the properties of magnetic materials. The entire bundle can be downloaded by clicking on the download link in the upper right or compontents can be individually...
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Making a Liquid Crystal Thermometer
06 Jan 2017 | | Contributor(s):: Rano Sidhu, NNCI Nano
Liquid crystals are matter that has properties between those of a liquid and a solid. Liquid crystals may flow like a liquid but have crystals like a solid.colors of the objects are Color is the outcome of various light properties: absorption, refraction, or reflection. In the case of liquid...
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Mystery Molecules: Identifying Materials with Nanoscale Characterization Tools
18 Mar 2020 | | Contributor(s):: Maude Cuchiara, NNCI Nano
In this lesson plan, students will be given several similar looking materials and asked to identify them by observing them at the macro and micro-scale. They will then be exposed to different analytical tools and describe how they can be used to explore materials at the nanoscale. ...
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Nanotechnology Principles Kit: Nano Demos
05 Dec 2015 | | Contributor(s):: SHINE Project, SHINE Project
The activities described below are short demonstrations designed to teach students of any age about nanotechnology principles.
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Nanotechnology Principles Lab: Basic Principles
07 Dec 2015 | | Contributor(s):: SHINE Project, SHINE Project
This lab consists of demonstrations designed to teach students of any age about nanotechnology principles. Labs include Scale and Size, Thin Films, Ferrofluid, Magic Sand, Memory Wire, and Liquid Crystals. They can be used individually or in conjunction with each other. Most of the materials can...
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Quantum Dots: Real-world Particles in a Box
15 Jan 2020 | | Contributor(s):: Joyce Allen, NNCI Nano
The purpose of this activity is to show that nanosize particles of a given substance often exhibit different properties and behavior than macro or micro size particles of the same material. The property studied in this activity is the absorption and reflection of light which is based on energy...
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Semiconductor Device Education Material
28 Jan 2008 | | Contributor(s):: Gerhard Klimeck
This page has moved to "a Wiki page format" When we hear the words, semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic component in all of the electronic devices we use in our daily lives. Electronic systems are...
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Silver Nanoparticle Synthesis, Spectroscopy, and Bacterial Growth
09 Jan 2017 | | Contributor(s):: Pennsylvania State University, NNCI Nano
Students will learn about the differences in physical propoerties at the nanoscale as compared to the same materials at the macroscale. The students will demonstrate the appropriate use of a spectrophotometer and will convert between different units of measurement. This unit assists students in...