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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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1D finite element analysis ME 323
Tools | 19 Mar 2018 | Contributor(s):: Peter Kolis, Marisol Koslowski
Mechanics of Materials using Jupyter Notebooks
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2-D Diffusion Game
Tools | 28 Sep 2015 | Contributor(s):: Tam Mayeshiba
Play a 2-D diffusion game
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ab initio simulations with ORCA
Tools | 28 Jul 2015 | Contributor(s):: nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations dedicated to molecular systems
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ABINIT
Tools | 13 May 2004 | Contributor(s):: Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck
Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface
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ABINIT: First-Time User Guide
Teaching Materials | 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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Adsorption Energy Calculator
Tools | 18 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculate the total energy of adsorbates as they move around a metal organic framework
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Amorphous Silicon Generator
Tools | 21 Oct 2010 | Contributor(s):: Eric Carl Johlin, Lucas Wagner, Jeffrey C Grossman, Justin Riley, David Strubbe, Vardhan Solanki
a-Si:H Generator
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Atomic Picture of Plastic Deformation in Metals: Lab Assignment Handout
Teaching Materials | 19 Jan 2010 | Contributor(s):: Alejandro Strachan
In this lab students will perform online molecular dynamics (MD) simulations of metallic nanowires deformed uniaxially and analyze the results...
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Atomic Picture of Plastic Deformation in Metals: Overview Lecture
Online Presentations | 18 Dec 2009 | Contributor(s):: Alejandro Strachan
The lecture describes the objectives of the learning module and provides the necessary background for the activities. We briefly discuss the following topics:mechanical response of macroscopic polycrystalline metals during tensile testsmolecular dynamics simulations of materialsmechanical...
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Atomic Picture of Plastic Deformation in Metals: Prelab Lecture
Online Presentations | 18 Dec 2009 | Contributor(s):: Alejandro Strachan
This lecture provides a detailed description of the activities the students will perform in the lab. We present a tutorial with step by step instructions on how to run MD simulations using the nano-Materials Simulation Toolkit. This lecture is part of the learning module Atomic Picture of Plastic...
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Balloon Skewer Relay Race
Teaching Materials | 29 Jun 2020 | Contributor(s):: Amber Genau
Do you think you could get a bamboo barbecue skewer through a balloon without popping it? With a little dish soap and some practice, I bet you could! Skewering a balloon is a fun and inexpensive way to demonstrate the structure-dependent properties of polymers. Polymers are made...
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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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Berkeley GW
Tools | 27 Sep 2009 | Contributor(s):: Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton
This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation
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Brillouin Zone Viewer
Tools | 25 Jan 2011 | Contributor(s):: Prasad Sarangapani, Arun Goud Akkala, Sebastian Steiger, Hong-Hyun Park, Yosef Borga, Tillmann Christoph Kubis, Michael Povolotskyi, Gerhard Klimeck
Visualize Brillouin zones of different crystals and different unit cells
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Computational Labs in Kinetics of Materials and Process Design (California Polytechnic State University)
Series | 07 Sep 2020 | Contributor(s):: Mohsen B Kivy, Crystal Ipong
Kinetics of Materials and Process Design (MATE 370) is a 4-unit major course for junior-year undergraduate students of the Materials Engineering Department, Cal Poly State University. The Materials Engineering Department endorses the applications of theory to practice through its...
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Computer Modeling Module: Chemical Reaction Simulation using SIESTA
Teaching Materials | 23 Aug 2017 | Contributor(s):: Lan Li
This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders and the assignment are included. Learning outcomes: Get familiar with SIESTA tool and activation...
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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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Crack Propagation Lab
Tools | 06 Dec 2010 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
Models supersonic crack propagation in a 2D triangular lattice
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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