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MSEML: Machine Learning for Materials Science Tool on nanoHUB
Online Presentations | 27 Jan 2020 | Contributor(s):: Saaketh Desai
This talk is a hands-on demonstration using the nanoHUB tool Machine Learning for Materials Science: Part 1.
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Data Science and Machine Learning for Materials Science
Online Presentations | 22 Jan 2020 | Contributor(s):: Saaketh Desai
This talk covers the fundamentals of machine learning and data science, focusing on material science applications. The talk is for a general audience, attempting to introduce basic concepts such as linear regression, supervised learning with neural networks including forward and back...
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Fracture Behavior (with Cheese!)
Online Presentations | 21 Jun 2018 | Contributor(s):: Jessica Anne Krogstad
This presentation introduces fracture behavior of materials with historical context. Several common fracture mechanisms are introduced in the context of fracture surfaces. We also provide examples of common testing configurations relevant to the companion lab...
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Understanding and Optimizing Exploratory Hydrothermal Reactions
Online Presentations | 22 Jan 2018 | Contributor(s):: Alex Norquist
In this work, an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites is demonstrated. Archived ‘dark’ reactions, both failed and successful attempts at hydrothermal...
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Polymer Synthesis and Characterization in the Cloud: a nanoHUB Classroom Experience
Online Presentations | 22 Jan 2016 | Contributor(s):: Coray Colina
In this talk, I’ll share the experience of teaching a junior undergraduate computational course in materials science and engineering, with over 70 participants. Both molecular and continuum methods were studied and applied to relevant materials problems. Students were able to build and...
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The Wright Flyer Crankcase: Precipitation Hardening in the First Aerospace Aluminum Alloys
Online Presentations | 11 Jul 2013 | Contributor(s):: John Blendell
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Atomic Picture of Plastic Deformation in Metals: Overview Lecture
Online Presentations | 24 Jan 2010 | 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 | 24 Jan 2010 | 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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Microstructural Design of Electrically Active Materials and Devices Through Computational Modeling: The OOF Project
Online Presentations | 20 Jan 2009 | Contributor(s):: R. Edwin Garcia
We present an overview of a public domain program, the Object Oriented Finite Element analysis (OOF), which predicts macroscopic behavior, starting from an image of the microstructure and ending with results from finite element calculations. The program reads an image (or a sequence of images)...
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The Basics of Quantum Monte Carlo
Online Presentations | 15 Jun 2007 | Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton
Quantum Monte Carlo is a highly accurate method to approximately solve the Schrodinger equation. I explain quantum Monte Carlo in a way that should be accessible to someone who is somewhat familiar with quantum mechanics. The discussion is mostly conceptual.Lucas Wagner is a postdoctoral...
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Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial
Online Presentations | 01 Feb 2007 | Contributor(s):: Alejandro Strachan
Molecular dynamics (MD) is a powerful technique to characterize the fundamental, atomic-level processes that govern materials behavior and is playing an important role in our understanding of the new phenomena that arises in nanoscale and nanostructured materials and result in their unique...
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Molecular Dynamics Studies of Gaseous Transport
Online Presentations | 05 Apr 2006 | Contributor(s):: Ki-Ho Lee, Jason Myers, Susan Sinnott
Carbon nanotubes (CNTs) have generated a great deal of interest due to their unique properties. In this study, we examine the transport properties of various nanotubes using REBO-MD to determine the effects of diameter and chirality on transport mode. Both oxygen and methane were diffused through...