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Buckypaper
17 Apr 2013 | | Contributor(s):: shaheen goel
the presentation gives a basic idea about the buckypaper and give breif details about the synthesis properties and applications of buckypaper
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Changes of Structural and Hydrogen Desorption Properties of MgH2 Indused by Ion Irradiation
17 Jan 2012 | | Contributor(s):: Sandra Kurko
Changes in structural and hydrogen desorption properties of MgH2 iduced by ion irradiation have been investigated. MgH2 powder samples have been irradiated with 45 keV B3+ and 120 keV Ar8+ions, with ion fluence 1015 ions/cm2. The effects of ion irradiation are estimated by numerical calculations...
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Chemistry of Molecular Monolayers
09 Jul 2003 | | Contributor(s):: David Allara
Chemistry of Molecular Monolayers
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Computational Materials Design in Education (Ricardo Komai)
13 Jan 2017 |
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Dynamic Failure of Polymer-Bonded Explosives under Periodic Excitation
27 Jul 2017 | | Contributor(s):: Rachel Katherine Kohler, Camilo Alberto Duarte, Marisol Koslowski
Accidental mishandling of explosive materials leads to thousands of injuries in the US every year. Understanding the mechanisms behind the detonation process is crucial to prevent such accidents. In polymer-bonded explosives (PBX), high-frequency mechanical excitation generates thermal energy and...
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Fundamentals of Phonon Transport Modeling L1: Introduction
03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L2: MD Simulation, Green Kubo, Direct Method
03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L3: Harmonic Lattice Dynamics, Spectral Methods
03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L4: Anharmonic Lattice dynamics, First Principles
03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L5: Phonon-Boundary and Phonon-Defect Scattering
03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L6: Phonon-Electron Coupling and Non-equilibrium
03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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ICME for ICMEd
13 Jan 2017 | | Contributor(s):: John E Allison
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Introduction to Computation
13 Jan 2017 | | Contributor(s):: Katsuyo Thornton
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Introduction to DFT simulations in nanoHUB
06 Oct 2022 | | Contributor(s):: André Schleife
In this webinar, I will briefly outline the fundamentals of this technique, and demonstrate applications to compute total energies, bulk modulus, and electronic structure/densities of states using Nanohub.
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Investigating the Aging Effects on the Cu, Ni and Au Intermetallic in High Temperature Solders
09 Apr 2024 | | Contributor(s):: Nathaniel E Weddington, Carol A Handwerker (editor), John Blendell (editor)
This presentation focuses on investigating aging effects on the Cu, Ni, and Au intermetallic in high-temperature solders. The process in which the solder joint samples are created involves the process of melting, solidification, and aging of the sample. The main topic of this presentation...
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Lecture 10: Non Equilibrium MD
05 Jan 2010 | | Contributor(s):: Ashlie Martini
Topics:Calculating transport coefficientShear flowPerturbation methods
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Lecture 1: Basic Concepts
05 Jan 2010 | | Contributor(s):: Ashlie Martini
Topics:What is MDNewton’s lawBasic concepts and terminology
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Lecture 2: Potential Energy Functions
05 Jan 2010 | | Contributor(s):: Ashlie Martini
Topics:Pair potentialsCoulomb interactionsEmbedded atom modelIntra-molecular interactions (bond, angle, torsion)
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Lecture 3: Integration Algorithms
05 Jan 2010 | | Contributor(s):: Ashlie Martini
Topics:General guidelinesVerlet algorithmPredictor-corrector methods
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Lecture 4: Temperature Control
05 Jan 2010 | | Contributor(s):: Ashlie Martini
Topics:Velocity scalingHeat bath/reservoirStochastic methods