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The main goal of this learning module is to introduce students to the atomic-level processes responsible for plastic deformation in crystalline metals and help them develop a more intuitive understanding of how materials work at molecular scales. Image to the right shows plastic deformation of…

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DFT on Wikipedia

This is a link to Wikipedia's page on Density Functional Theory.

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Life Beyond DFT

Computational Nanoscience, Lecture 26: Life Beyond DFT -- Computational Methods for Electron Correlations, Excitations, and Tunneling Transport

By Jeffrey B. Neaton

Lawrence Berkeley National Laboratory

This lecture provides a brief introduction to "beyond DFT" methods for studying excited state properties, optical properties, and transport properties, how the GW approximation to the self-energy corrects the quasiparticle excitations energies predicted by Kohn-Sham DFT;  the Bethe-Salpeter Equation for optical properties; and an example demonstrating the use of the Landauer formalism for exploring transport properties.

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Ale Strachan EAFIT presentation

Published on Apr 4, 2014

En una colaboración entre la Escuela de Ingeniería de EAFIT, el Centro de Computación Científica Apolo y Proyecto 50, recibimos a Alejandro Strachan, profesor asociado de la Universidad de Purdue, quien explicó la utilidad de las simulaciones en procesos de enseñanza y aprendizaje, así como su impacto en la ingeniería.

Esta metodología explora los múltiples recursos que brinda "nanoHUB", una página web orientada a la creación de simulaciones para la investigación.

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The Effect of Doping on Semiconductors

In this simulation, users can select the temperature and the concentration of dopant, both donors and acceptors, that can be added to silicon. Two diagrams are generated. One is a schematic of an energy band diagram that shows the Fermi energy as well as a representation of the concentrations of electrons and holes in the material using red and blue circles. The other shows the concentrations of electrons and holes as a function of temperature as a line plot, in a classic Arrhenius plot representation. The intrinsic carrier concentration and Fermi energy are also shown, for reference.

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DDSCAT: Discrete Dipole Approximation

DDSCAT allows for the computation of scattering properties with arbitrary shapes and geometries, and provide graphs of light extinction, absorption, and scattering properties. Using software like DDSCAT, scientists can determine properties of everything from space dust to red blood cells (RBCs).

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S4: Stanford Stratified Structure Solver

This simulation tool calculates reflection and transmission spectra for a range of materials and geometries, from single layers to thin films on a substrate to multi-layered materials and even photonic structures made of patterned layers. S4 can be used to predict the reflections of an SiO2 layer on a silicon wafer, a soap bubble, an anti-reflective coating, and more. S4 is a powerful and versatile tool.

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S4: Stanford Stratified Structure Solver

This simulation tool calculates reflection and transmission spectra for a range of materials and geometries, from single layers to thin films on a substrate to multi-layered materials and even photonic structures made of patterned layers. S4 can be used to predict the reflections of an SiO2 layer on a silicon wafer, a soap bubble, an anti-reflective coating, and more. S4 is a powerful and versatile tool.

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Using nanoHUB to Introduce Middle School Students to Modeling and Simulations

Content developed by Dr. Tanya Faltens that shows how nanoHUB can be combined with hands-on model building activity to teach middle school students about nanoscale modeling and science. This content is also used as part of the NanoDays activities in which nanoHUB participates actively.

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Messaging for Women in Engineering

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Making a Case for Diversity in STEM-- from Inside Higher Ed

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Purdue NanoDays featured in Journal and Courier

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NanoDays at Birck- Website

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Learning Nano

I’ve just collected something from Krishna.. I think.

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Data Wanted

Does anyone have some data showing absorption of glass as a function of wavelength in the UV-Vis range?

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Using this for a homework assignment to explore the effect of layer thicknesses.

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Nanoparticles cause cancer cells to self-destruct

The researchers have used nanoparticles of iron oxide that have been treated with a special form of magnetism. Once the particles are inside the cancer cells, the cells are exposed to a magnetic field, and the nanoparticles begin to rotate in a way that causes the lysosomes to start destroying the cells.

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Researchers change coercivity of material by patterning surface

Researchers from North Carolina State University have found a way to reduce the coercivity of nickel ferrite (NFO) thin films by as much as 80 percent by patterning the surface of the material. For devices that rely on switching current back and forth repeatedly – such as most consumer electronics – you want materials that have low coercivity, which improve device performance and use less energy.

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Antimony nanocrystals for batteries

Researchers from ETH Zurich and Empa have succeeded for the first time to produce uniform antimony nanocrystals. These nanomaterials operate with high rate and may eventually be used as alternative anode materials in future high-energy-density batteries.

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Nanostructured capsules could bring about paints and electronic displays that never fade

Manoharan’s lab has devised a system where microcapsules are filled with a disordered solution of even smaller particles suspended in water. When the microcapsule is partly dried out, it shrinks, bringing the particles closer and closer together. Eventually the average distance between all the particles will give rise to a specific reflected color from the capsule. Shrink the capsule a bit more, and they become another color, and then another.

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'Iron Man' plants are supercharged by nanotech power

A team of biologists and engineers has made bionic plants that have been upgraded with an injection of nanotechnology.

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Purdue makes “ultracold” molecules that look promising for quantum computing and simulation. Using lasers to cool atoms nearly to absolute zero and then gluing them together!

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Awesome article that features nanoHUB and the many things that it offers to the nano community and beyond, by International Science Grid This Week.

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Scientists build the thinnest possible LEDs (3 atoms thick, close to 10,000 times smaller than the thickness of human hair) to be stronger and more efficient.

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Colored diamonds are a superconductor's best friend

“These diamond sensors combine high sensitivity with the potential for high spatial resolution, and since they operate at higher temperatures than their competitors – superconducting quantum interference device, or SQUID, magnetometers – they turn out to be good for studying high temperature superconductors,”

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