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FunUQ for MD
Tools | 22 Oct 2018 | Contributor(s):: Sam Reeve, Alejandro Strachan
Functional uncertainty quantification for molecular dynamics
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Surface Evolver GUI
Tools | 12 Oct 2018 | Contributor(s):: Kevin K Ngo, Lucas Darby Robinson, John Blendell, R. Edwin Garcia
A GUI for the Surface Evolver to simulate polycrystalline grain growth in thin films.
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SEM Image Processing Tool
Tools | 02 Oct 2018 | Contributor(s):: Joshua A Schiller, Matthew Glen Robertson, Kristina M Miller, Kevin James Cruse, Kevin Liu, Darren K Adams, Benjamin Galewsky, Elif Ertekin, Sameh H Tawfick
Analysis and feature detection in SEM images of Graphene.
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Optimized Workflow for Electronic and Thermoelectric Properties
Tools | 14 Aug 2017 | Contributor(s):: Gustavo Javier, Austin Zadoks, David M Guzman, Alejandro Strachan
Uses Density Functional Theory (DFT) to extract electronic properties of materials and connects to the nanoHUB tool Landauer Transport Properties (LanTraP) for thermoelectric calculations.
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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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High Pressure DFT Data
Tools | 12 Feb 2018 | Contributor(s):: Austin Zadoks, Sam Reeve, Karthik Guda Vishnu, Alejandro Strachan
Query and retrieve elastic constants and phase stability data from high-pressure DFT calculations
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MSE educational tool: crystal structures, reciprocal lattice & symmetry
Tools | 28 Dec 2017 | Contributor(s):: Nolan Andrew Miller, Peilin Liao
Educational notebooks for studying crystal structures
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Jupyter Object Oriented MicroMagnetic Framework (JOOMMF) Example Notebooks
Tools | 12 Dec 2017 | Contributor(s):: Marijan Beg, Hans Fangohr
Jupyter-OOMMF (JOOMMF) integrates a popular micromagnetic package OOMMF (http://math.nist.gov/oommf/) with Python and Jupyter Notebook
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MSE educational tool: visualization of stacking faults
Tools | 16 Nov 2017 | Contributor(s):: Peilin Liao
Visualize stacking faults in FCC and BCC crystals
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MSE educational tool: elastic moduli calculations
Tools | 16 Nov 2017 | Contributor(s):: Peilin Liao
Illustrate how to calculate elastic constants for crystals
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Phase Transforming Cellular Materials Simulator
Tools | 07 Jun 2017 | Contributor(s):: Yunlan Zhang, Chidubem Nuela Enebechi, Kristiaan William Hector, Gavin Carter, ASHLEY MIN, Valeria Grillo, David Restrepo, Nilesh Mankame, Pablo Daniel Zavattieri
The tool will predict mechanical behavior of PXCMs given the the response of the unit cell
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High Throughput DFT Calculation Resources
Tools | 16 Jun 2017 | Contributor(s):: Austin Jacob Zadoks, Karthik Guda Vishnu, Sam Reeve, David M Guzman, Alejandro Strachan
Python functions / libraries / other resources useful for running High Throughput (query-based) DFT calculations on nanoHUB
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MSE educational tool: X-ray diffraction (XRD) pattern
Tools | 01 Sep 2017 | Contributor(s):: Peilin Liao
XRD pattern for BCC and FCC metals
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Dynamic Crack Growth under Periodic Excitation Simulator
Tools | 02 Aug 2017 | Contributor(s):: Rachel Katherine Kohler, Nicolò Grilli, Marisol Koslowski
Simulate 2D crack growth due to sinusoidal loading.
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ZENO
Tools | 16 Nov 2016 | Contributor(s):: Derek Juba, Debra Audus, Michael Mascagni, Jack Douglas, Walid Keyrouz
Calculation of hydrodynamic, electrical, and shape properties of polymer and particle suspensions
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Stacking Fault Energy Demo
Tools | 15 Dec 2016 | Contributor(s):: Martin Hunt
Demonstration: Stacking Fault Energy Calculation Notebook
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OpenKIM Explorer
Tools | 09 Jun 2015 | Contributor(s):: Dan Karls, Benjamin P Haley, Alejandro Strachan, Ryan S Elliott, Ellad B Tadmor
Run interatomic potentials from the OpenKIM Repository in LAMMPS
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OOMMF: Object Oriented MicroMagnetic Framework
Tools | 21 Jan 2016 | Contributor(s):: Michael Joseph Donahue, Donald Gene Porter
A portable, extensible public domain program and associated tools for micromagnetic simulation
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MD simulations of shock loading
Tools | 11 Jun 2015 | Contributor(s):: edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan
Use MD simulation to study shocks in various materials including metals and energetics
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MIF generator for OOMMF
Tools | 17 Jun 2015 | Contributor(s):: Zachary Yu, Jung Jin Park, Tanya Faltens, Rafatul Faria, Supriyo Datta
Provide highly-customized input model file for OOMMF