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Illinois PHYS 466, Lecture 8: Temperature and Pressure Controls
03 Mar 2009 | Online Presentations | Contributor(s): David M. Ceperley
Temperature and Pressure Controls Content: Constant Temperature MD Quench method Brownian dynamics/Anderson thermostat Nose-Hoover thermostat (FS 6.1.2) Nose-Hoover thermodynamics …
https://nanohub.org/resources/6420
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Illinois PHYS 466, Lecture 6: Scalar Properties and Static Correlations
03 Mar 2009 | Online Presentations | Contributor(s): David M. Ceperley
Scalar Properties, Static Correlations and Order Parameters What do we get out of a simulation? Static properties: pressure, specific heat, etc. Density Pair correlations in real space and …
https://nanohub.org/resources/6411
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Illinois PHYS 466, Lecture 7: Dynamical Correlations & Transport Coefficients
02 Mar 2009 | Online Presentations | Contributor(s): David M. Ceperley
Dynamical correlations and transport coefficients Dynamics is why we do molecular dynamics! Perturbation theory Linear-response theory Diffusion constants, velocity-velocity auto correlation …
https://nanohub.org/resources/6409
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Illinois PHYS 466, Lecture 5: Interatomic Potentials
18 Feb 2009 | Online Presentations | Contributor(s): David M. Ceperley
Interatomic Potentials Before we can start a simulation, we need the model! Interaction between atoms and molecules is determined by quantum mechanics But we don’t know V(R)! Content: …
https://nanohub.org/resources/6294
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Illinois ECE 598EP Lecture 3.1 - Hot Chips: Electrons and Phonons
17 Feb 2009 | Online Presentations | Contributor(s): Eric Pop, Omar N Sobh
Electrons and Phonons
https://nanohub.org/resources/6270
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Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope
11 Feb 2009 | Online Presentations | Contributor(s): Klaus Schulten
Computational Microscope All-atom molecular dynamics simulations have become increasingly popular as a tool to investigate protein function and dynamics. However, researchers are usually concerned …
https://nanohub.org/resources/6253
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Illinois PHYS 466, Lecture 4: Molecular Dynamics
05 Feb 2009 | Online Presentations | Contributor(s): David M. Ceperley
Molecular Dynamics What to choose in an integrator The Verlet algorithm Boundary Conditions in Space and time Reading assignment: Frenkel and Smit Chapter 4 Content: …
https://nanohub.org/resources/6239
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Illinois ECE 598EP Lecture 1 - Hot Chips: Atoms to Heat Sinks
29 Jan 2009 | Online Presentations | Contributor(s): Eric Pop
Introduction Content: The Big Picture Another CPU without a Heat Sink Thermal Management Methods Impact on People and Environment Packaging cost IBM S/390 refrigeration and …
https://nanohub.org/resources/6184
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Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics
31 Jan 2009 | Online Presentations | Contributor(s): David M. Ceperley
Basics of Statistical Mechanics Review of ensembles Microcanonical, canonical, Maxwell-Boltzmann Constant pressure, temperature, volume,… Thermodynamic limit Ergodicity …
https://nanohub.org/resources/6198
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Illinois MatSE 280 Introduction to Engineering Materials, Lecture 9: Mechanical Failures
09 Jan 2009 | Online Presentations | Contributor(s): Duane Douglas Johnson, Omar N Sobh
Mechanical Failure: temperature, stress, cyclic and loading effect ISSUES TO ADDRESS... How do cracks that lead to failure form? How is fracture resistance quantified? How do the fracture …
https://nanohub.org/resources/6108
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Illinois MatSE485/Phys466/CSE485 - Atomic-Scale Simulation
27 Jan 2009 | Courses | Contributor(s): David M. Ceperley
THE OBJECTIVE is to learn and apply fundamental techniques used in (primarily classical) simulations in order to help understand and predict properties of microscopic systems in materials science, …
https://nanohub.org/resources/6164
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Illinois PHYS 466, Lecture 1: Introduction
28 Jan 2009 | Online Presentations | Contributor(s): David M. Ceperley
Introduction to Simulation Content: Why do simulations? Moore's law Two Simulation Modes Dirac, 1929 Challenges of Simulation: Physical and mathematical underpinnings …
https://nanohub.org/resources/6182
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Microstructural Design of Electrically Active Materials and Devices Through Computational Modeling: The OOF Project
20 Jan 2009 | Online Presentations | 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 …
https://nanohub.org/resources/6134
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DragonflyTV Nano – Using the Power of Television to Introduce Middle School Children to Nanotechnology
15 Jan 2009 | Online Presentations | Contributor(s): Richard Hudson, Joan Freese, Angie Prindle, Lisa Regalla
DragonflyTV is a PBS science series for children, broadcast nationwide and on the internet. DragonflyTV models authentic science inquiry through its unique approach: In each episode, ordinary …
https://nanohub.org/resources/6123
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Thermoelectric Power Factor Calculator for Superlattices
18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions
https://nanohub.org/resources/slpf
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The Optical Freqency Comb: A Remarkable Tool for Metrology, Science and Medical Diagnostics
31 Dec 2008 | Online Presentations | Contributor(s): John L. Hall
The Optical Frequency Comb concept and technology exploded in 1999-2000 from the synthesis of advances in independent fields of Laser Stabilization, UltraFast Lasers, and NonLinear Optical Fibers. …
https://nanohub.org/resources/6040
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Illinois MatSE 280 Introduction to Engineering Materials, Lecture 7: Mechanical Properties
15 Dec 2008 | Online Presentations | Contributor(s): Duane Douglas Johnson, Omar N Sobh
Mechanical Properties Why Mechanical Properties? Need to design materials that will withstand applied load and in-service uses for ... Space exploration, Bridges for autos and people, …
https://nanohub.org/resources/6052
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Nanoparticle and Colloidal Simulations with Molecular Dynamics
05 Dec 2008 | Online Presentations | Contributor(s): Steve Plimpton
Modeling nanoparticle or colloidal systems in a molecular dynamics (MD) code requires coarse-graining on several levels to achieve meaningful simulation times for study of rheological and other …
https://nanohub.org/resources/5668
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Misinterpreting X-Ray Diffraction Results
03 Dec 2008 | Notes | Contributor(s): Thomas Key
Common mistakes and misinterpretations associated with the collection and interpretation of x-ray diffraction data.
https://nanohub.org/resources/5983
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 6: Diffusion in Solids
19 Nov 2008 | Online Presentations | Contributor(s): Duane Douglas Johnson, Omar N Sobh
Diffusion in Solids ISSUES TO ADDRESS... How does diffusion occur? How can the rate of diffusion be predicted forsome simple cases? How does diffusion depend on structure and temperature …
https://nanohub.org/resources/5888