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Molecular Exploration Tool
Tools | 01 Aug 2014 | Contributor(s):: Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman
The tool can display the molecule structures and run Lammps simulations.
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Tensile Testing Laboratory: Nanoscale and Macroscale Metal Samples
Teaching Materials | 24 Nov 2015 | Contributor(s):: Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux
This document is an updated (Fall 2015) sophomore materials science and engineering tensile testing laboratory handout that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...
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![](data:image/svg+xml;base64,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)
Drew Fleming
https://nanohub.org/members/133866
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Molecular Dynamics Showcase Builder
Tools | 09 Nov 2015 | Contributor(s):: Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, Chen-Yu Li
Tool to create showcases for the Molecular Dynamics Showcase viewer.
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Atomistic Modeling: Past, Present, and Future, MGI, ICME, etc.
Online Presentations | 03 Nov 2015 | Contributor(s):: Paul Saxe
I will present a perspective on atomistic modeling — tools using quantum methods such as DFT, as well as molecular dynamics and Monte Carlo methods based on forcefields — over the past 30 years or so. While we are all caught up in the present, it is important to remember and realize...
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Introduction to Molecular Dynamics
Online Presentations | 27 Aug 2015 | Contributor(s):: Alejandro Strachan
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Nanomaterial Mechanics Explorer
Tools | 30 Jun 2015 | Contributor(s):: Sam Reeve, Christopher Chow, Michael N Sakano, shuhui tang, Alexis Belessiotis, Mitchell Anthony Wood, Kiettipong Banlusan, Saaketh Desai, Alejandro Strachan
Simulate dislocation dynamics, crack propagation, nanowire tensile tests, and phase transitions
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![](/files/MTRjZGIzZDFkMzI4NjdhNjg4ZDFjM2E4OGFiYzIyMDMxM2VkYWMzMTk3OThiODFkYTUwNTIwNTEwNTQwMzU1MjovdmFyL3d3dy9uYW5vaHViL2FwcC9zaXRlL21lbWJlcnMvMTIzNTQzL3RodW1iLnBuZw==)
Gustavo Medeiros Azevedo
https://nanohub.org/members/123543
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Introduction to Molecular Dynamics
Online Presentations | 06 Apr 2015 | Contributor(s):: Alejandro Strachan
This short presentation will describe the idea behind MD simulations and demonstrate its use in real applications.
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![](/files/MTRjZGIzZDFkMzI4NjdhNjg4ZDFjM2E4OGFiYzIyMDMxM2VkYWMzMTk3OThiODFkYTUwNTIwNTEwNTQwMzU1MjovdmFyL3d3dy9uYW5vaHViL2FwcC9zaXRlL21lbWJlcnMvMTIxMzExL3RodW1iLnBuZw==)
Brenden William Hamilton
PhD student in Materials Engineering at Purdue with a focus in shock response of materials and energetic materials. Current works include energy localization and transport, as well as...
https://nanohub.org/members/121311
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Reproducing results of "Thermal transport in SiGe superlattice thin films and nanowires"
Papers | 27 Mar 2015 | Contributor(s):: Alejandro Strachan, Jonathan Mark Dunn
In this document we show how to reproduce results in the paper "Thermal transport in SiGe superlattice thin films and nanowires", Keng-hua Lin, and Alejandro Strachan Physical Review B 87, 115302 (2011) using the nanoMATERIALS nanoscale heat transport tool in nanoHUB....
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Tensile Testing of Nanoscale and Macroscale Metal Samples
Teaching Materials | 25 Mar 2015 | Contributor(s):: Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A Diefes-Dux
This document is a sophomore materials science and engineering tensile testing laboratory handout (Fall 2014) that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...
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![](/files/MTRjZGIzZDFkMzI4NjdhNjg4ZDFjM2E4OGFiYzIyMDMxM2VkYWMzMTk3OThiODFkYTUwNTIwNTEwNTQwMzU1MjovdmFyL3d3dy9uYW5vaHViL2FwcC9zaXRlL21lbWJlcnMvMTIwMzQ2L3RodW1iLnBuZw==)
Hasan Boroushak
https://nanohub.org/members/120346
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MSE 498 Lesson 10: MD
Online Presentations | 16 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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MSE 498 Lesson 11: MD
Online Presentations | 16 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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MSE 498 Lesson 12: MD
Online Presentations | 16 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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MSE 498 Lesson 13: MD
Online Presentations | 16 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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MSE 498 Lesson 14: MD
Online Presentations | 16 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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MSE 498 Lesson 15: MD
Online Presentations | 16 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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Crack Propagation Simulation
Tools | 06 Aug 2014 | Contributor(s):: hojin kim, Nilofer Rajpurkar, Benjamin P Haley, Alejandro Strachan
Simulate crack propagations through materials under applied loads.