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LAMMPS
Tools | 27 Mar 2014 | Contributor(s):: Benjamin P Haley
Run LAMMPS by uploading a data file and command script.
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nanoHUB Materials Simulation Homework: Engineering the Yield Stress of a Material by Controlling Grain Size
Teaching Materials | 17 Feb 2015 | Contributor(s):: Marisol Koslowski, Tanya Faltens
This homework assignment uses the nanoplasticity lab simulation tool to enable students to explore how grain size and the competing plastic deformation mechanisms of dislocation motion and grain boundary sliding affect the yield stress of a sample. Students create conditions that lead to...
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OnlineSimulation tutorial and assignment: bonding curves in H2 and He2 molecules
Teaching Materials | 18 Feb 2015 | 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 compute energy as a function of bond distance and extract the equilibrium bond distance and bond...
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OnlineSimulation tutorial and assignment: electronic structure and spin in O2 molecule
Teaching Materials | 18 Feb 2015 | Contributor(s):: Alejandro Strachan
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 tutorial shows how to predict the relaxed bond distance in O2 (i.e. minimum energy structure) both for...
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OnlineSimulation tutorial and assignment: electronic structure and spin of the O atom
Teaching Materials | 18 Feb 2015 | Contributor(s):: Alejandro Strachan
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 how to compute energy for the spin 1 (triplet) and spin 0 (singlet) states and analyze the exchange...
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Creep deformation in RF-MEMS
Tools | 15 Jan 2015 | Contributor(s):: Marisol Koslowski, Alejandro Strachan, Gabriela Venturini, Diego Fernando Cifuentes Pardo, Guillermo Andres Roman
Simulates creep deformation in fixed - fixed beam MEMS model
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Gaussian process regression in 1D
Tools | 26 Nov 2014 | Contributor(s):: Ilias Bilionis, Alejandro Strachan, Benjamin P Haley, Martin Hunt, Rohit Kaushal Tripathy, Sam Reeve
Use Gaussian processes to represent x-y data
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Continuous casting of weld filler wire
Tools | 23 Oct 2014 | Contributor(s):: Kyle Fezi, Martin Hunt, Matthew John M. Krane, Benjamin P Haley, Alejandro Strachan
The steady state solidification of continuous casting of weld filler wire is predicted using a 1D finite volume method.
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Powder Compaction
Tools | 20 Jun 2014 | Contributor(s):: Chen Shang, Yuqi Fang, Carlos E Fernandez-Caban, Wentao Chen, Ayush Giri, Caroline Baker, Yasasvi Raghavendra Bommireddy, Ankit Agarwal, Marcial Gonzalez, Jesse Lee Hoffman, Isabel Bojanini, Melanie Hacopian, Vidal Lopez, Pedro Henrique Cidreiro Martins, Paul Beckwith
This tool simulates the mechanical behavior of a binary mixture during compaction
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Exploration of the Oxidation Rate of Silicon Wafers via Simulation
Teaching Materials | 01 Nov 2014 | Contributor(s):: Tanya Faltens
This teaching resource is designed for instructors who would like to introduce exploration through simulation into their lessons on silicon oxidation. Step-by-step instructions are provided for running the process lab oxidation simulation, and guiding questions are provided that should help...
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1-D Phonon BTE Solver
Tools | 28 Jul 2014 | Contributor(s):: Joseph Adrian Sudibyo, Amr Mohammed, Ali Shakouri
Simulate heat transport by solving one dimensional Boltzmann transport equation.
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Bayesian Calibration
Tools | 18 Feb 2014 | Contributor(s):: Martin Hunt, Benjamin P Haley, Jan Ebinger, Alejandro Strachan
Given a model, input data for some paramaters and output data, calibrate unknown input parameters
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Magnetic Tunnel Junction Lab
Tools | 23 Sep 2013 | Contributor(s):: Samiran Ganguly, Deepanjan Datta, Chen Shang, Sankarsh Ramadas, Sayeef Salahuddin, Supriyo Datta
Calculate Resistance, Tunneling Magneto Resistance, Spin Torques, and Switching characteristics of a Magnetic Tunnel Junction
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NanoPlasticity Lab
Tools | 02 Aug 2013 | Contributor(s):: Martin Hunt, Lei Cao, Alejandro Strachan, Marisol Koslowski
A phase field approach to plastic deformation in nano crystalline materials
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Linearized Boltzmann transport calculator for thermoelectric materials
Tools | 11 Jul 2013 | Contributor(s):: Je-Hyeong Bahk, Robert Benjamin Post, Kevin Margatan, Zhixi Bian, Ali Shakouri
Simulation tool to calculate thermoelectric transport properties of bulk materials based on their multiple nonparabolic band structure information using the linearized Boltzmann transport equation
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The Wright Flyer Crankcase: Precipitation Hardening in the First Aerospace Aluminum Alloys
Online Presentations | 10 Jul 2013 | Contributor(s):: John Blendell
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Thin-Film and Multi-Element Thermoelectric Devices Simulator
Tools | 17 Jul 2012 | Contributor(s):: Je-Hyeong Bahk, Megan Youngs, Zach Schaffter, Kazuaki Yazawa, Ali Shakouri
Tool to simulate both micro-scale thin-film thermoelectric devices and large-scale multi-element thermoelectric modules for cooling and power generation
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Polymatic: A Simulated Polymerization Algorithm
Downloads | 13 Mar 2013 | Contributor(s):: Lauren Abbott, Coray Colina
Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system based on a number of defined bonding criteria. It works in conjunction with a simulation package to...
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MSE 597GM: Introduction to Rechargeable Batteries
Courses | 21 Aug 2012 | Contributor(s):: R. Edwin García
Electrochemical materials and its application to energy storage and conversion devices, such as batteries and fuel cells are a rapidly growing field, particularly for portable technologies and electric and hybrid vehicles. This course will deliver an introduction to the modeling and simulation...
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Equilibrium Wulff Shape Generator
Tools | 19 Jun 2012 | Contributor(s):: R. Edwin García, John Blendell
Wulff Shape Generator