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MSE 498 Lesson 19: CALPHAD
17 Mar 2015 | | Contributor(s):: Andrew Ferguson
This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...
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Fernando Cruz
https://nanohub.org/members/111001
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A Python code for material composition lines - composition line utility
11 Sep 2013 | | Contributor(s):: Amritanshu Palaria
In material science and chemical thermodynamics, phase diagrams play an important role. In composition-phase diagrams, compositions of the various components constitute, depending on how the composition may change, one or more axes of the diagram. In the sub-space formed by only the composition...
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Sayantan Mukherjee
https://nanohub.org/members/85618
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Atif Awan
FROM THE LAND OF PARADISE ON EARTH '''__THE AZAD JAMMU & KASHMIR__'''
https://nanohub.org/members/83974
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Omar R Yehia
https://nanohub.org/members/76130
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Johann Akré
https://nanohub.org/members/62622
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Frank T Willmore
BS in Professional Chemistry, Valparaiso University 1993PhD in Chemical Engineering, University of Texas 2006
https://nanohub.org/members/56422
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SugarAid Thermodynamics
14 Jan 2010 | | Contributor(s):: Prabhakar Marepalli, jason clark
Homework tool for Thermodynamics-I (ME 200)
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Illinois ME 498 Introduction of Nano Science and Technology, Lecture 23: Nanomaterials and Devices for Energy Conversion I
23 Dec 2009 | | Contributor(s):: Nick Fang, Omar N Sobh
Nanomaterials and Devices for Energy ConversionTopics: Overview of Actuators at Nanoscale Electrostatic Actuators Piezo-Actuators Surface Acoustic Wave Motors Actuator Selection Electrochemical Actuators Solid State Electrochemical Actuator Electrochemical nano-actuator Electrochemical conversion...
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Molecular Sensors for MEMS
09 Dec 2009 | | Contributor(s):: John P. Sullivan
This seminar will cover the issues involved in using molecular sensors in MEMS and their application to microchannels, supersonic micronozzles, microjet impingement, microturbines and unsteady fluidic actuators.
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The Virtual Kinetics of Materials Laboratory
09 Sep 2009 | | Contributor(s):: Alex Bartol, Edwin Garcia, David R. Ely, Jon Guyer, Jarrod Lund, Surya Mitra Ayalasomayajula
web interface to develop, modify, and execute FiPy, Gibbs, and other python-based applications
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ECE 495N Lecture 39: Where is the Heating?
29 Dec 2008 | | Contributor(s):: Supriyo Datta
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Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008 | | Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions
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Some Important Aspects of the Chemistry of Nanomaterials
01 Jul 2008 | | Contributor(s):: C.N.R. Rao
Keynote address for the launch of the Center for Analytical Instrumentation Development.
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Ionic Selectivity in Channels: complex biology created by the balance of simple physics
05 Jun 2008 | | Contributor(s):: Bob Eisenberg
An important class of biological molecules—proteins called ionic channels—conduct ions (like Na+ , K+ , Ca2+ , and Cl− ) through a narrow tunnel of fixed charge (‘doping’). Ionic channels control the movement of electric charge and current across biological membranes...
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UV/Vis Spectra simulator
04 Mar 2008 | | Contributor(s):: Baudilio Tejerina
This tool computes molecular electronic spectra.
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CNDO/INDO
09 Oct 2007 | | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
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Finite Size Scaling and Quantum Criticality
02 Jan 2008 | | Contributor(s):: Sabre Kais
In statistical mechanics, the finite size scaling method provides a systematic way to extrapolate information about criticality obtained from a finite system to the thermodynamic limit. For quantum systems, the finite size corresponds not to the spatial dimension but to the number of elements in...
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An Experimentalists’ Perspective
19 Dec 2007 | | Contributor(s):: Arunava Majumdar
This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational science and engineering.