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Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope
11 Feb 2009 | Contributor(s):: Klaus Schulten
Computational MicroscopeAll-atom molecular dynamics simulations have become increasingly popular as a toolto investigate protein function and dynamics. However, researchers are usuallyconcerned about the short time scales covered by simulations, the apparentimpossibility to model large and...
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Illinois PHYS 466, Lecture 4: Molecular Dynamics
Online Presentations | 05 Feb 2009 | 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: Characteristics of simulations The Verlet Algorithm Higher Order Methods? Quote from Berendsen Long-term stability of Verlet...
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Illinois ECE 598EP Lecture 1 - Hot Chips: Atoms to Heat Sinks
Online Presentations | 29 Jan 2009 | Contributor(s):: Eric Pop
IntroductionContent: The Big Picture Another CPU without a Heat Sink Thermal Management Methods Impact on People and Environment Packaging cost IBM S/390 refrigeration and processor packaging Intel Itanium and Pentium 4packaging Graphics Cards Under/Overclocking Environment A More Detailed Look...
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Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics
Online Presentations | 31 Jan 2009 | Contributor(s):: David M. Ceperley
Basics of Statistical Mechanics Review of ensembles Microcanonical, canonical, Maxwell-Boltzmann Constant pressure, temperature, volume,… Thermodynamic limit Ergodicity (see online notes also) Reading assignment: Frenkel and Smit pgs. 1-22.Content: The Fundamentals according to Newton “Molecular...
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Illinois MatSE 280 Introduction to Engineering Materials, Lecture 9: Mechanical Failures
Online Presentations | 09 Jan 2009 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Mechanical Failure: temperature, stress, cyclic and loading effectISSUES TO ADDRESS... How do cracks that lead to failure form? How is fracture resistance quantified? How do the fracture resistances of the different material classes compare? How do we estimate the stress to fracture? How do...
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Illinois MatSE485/Phys466/CSE485 - Atomic-Scale Simulation
Courses | 27 Jan 2009 | 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, physics, chemistry, and biology. THE EMPHASIS will be on connections between the simulation...
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Illinois PHYS 466, Lecture 1: Introduction
Online Presentations | 28 Jan 2009 | 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 Complexity Estimation of Computer Time and Size Challenges of Simulation: Multi-scale computational materials research Short...
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DragonflyTV Nano – Using the Power of Television to Introduce Middle School Children to Nanotechnology
Online Presentations | 15 Jan 2009 | 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 kids conduct their own inquiry-based investigations, modeling the inquiry process and communicating...
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Thermoelectric Power Factor Calculator for Superlattices
Tools | 18 Oct 2008 | 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
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Illinois MatSE 280 Introduction to Engineering Materials, Lecture 7: Mechanical Properties
Online Presentations | 15 Dec 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Mechanical PropertiesWhy Mechanical Properties? Need to design materials that will withstand applied load and in-service uses for ... Space exploration, Bridges for autos and people, skyscrapers, MEMS devices, Space elevator?Content: Stress and strain Elastic and Plastic Deformation of Metals...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 6: Diffusion in Solids
Online Presentations | 19 Nov 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Diffusion in SolidsISSUES TO ADDRESS... How does diffusion occur? How can the rate of diffusion be predicted forsome simple cases? How does diffusion depend on structure and temperatureContent Diffusion- Steady and Non-Steady State Simple Diffusion Inter-diffusion Self-diffusion...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5 - Part 2 : Line Defects, Dislocations and their Scale
Online Presentations | 14 Nov 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Imperfections in Solids (Continue)Content: Line Defects: Dislocations and their Scale Line Defects: Dislocations Incremental Slip and Bond Breaking Edge Dislocations Exiting Crystal Form Steps Dislocations: Screw, Edge and Mixed (in handout) Formation of Steps from Screw and Edge...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5 - Part 1 : Imperfections in Solids
Online Presentations | 14 Nov 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Imperfections in Solids ISSUES TO ADDRESS... What types of defects arise in solids? Describe them Can the number and type of defects be varied and controlled? How do defects affect material properties? Are defects undesirableGiven masses or atomic weights of two or more elements in an alloy,...
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Thermoelectric Power Factor Calculator for Nanocrystalline Composites
Tools | 18 Oct 2008 | Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions
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nano-Materials Simulation Toolkit Quick Demo
Online Presentations | 18 Oct 2008 | Contributor(s):: Alejandro Strachan
Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."
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Vasco Teixeira Research Projects on Nanocomposite and Nanolayered PVD Functional Coatings
Papers | 09 Oct 2008 | Contributor(s):: Vasco Teixeira
Short powerpoint presentation for 2004-2008 Research Projects.-Smart multilayered coatings – smart windows-NANOEFFECT: Nanocomposites with High Colouration Efficiency for Electrochromic Smart Plastic Devices-Thermochromic thin films-Nanolayered and nano-graded coatings – Solar selective...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 4 : Polymer Structures
Online Presentations | 04 Oct 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Issues to Address...What are the basic Classification? Monomers and chemical groups? Nomenclature? Polymerization methods? Molecular Weight and Degree of Polymerization? Molecular Structures? Crystallinity? Microstructural features?
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 4: Structures via Diffusion
Online Presentations | 28 Sep 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Structures via DiffractionGoals Define basic ideas of diffraction (using x-ray, electrons, or neutrons, which, although they are particles, they can behave as waves) and show how to determine: Crystal Structure Miller Index Planes and Determine the Structure Identify cell symmetry Learning...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 3: Crystallographic Points, Directions, and Planes
Online Presentations | 22 Sep 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Crystallographic Points, Directions, and PlanesIssues to Address...How to define points, directions, planes, as well aslinear, planar, and volume densitiesDefine basic terms and give examples of each: Points (atomic positions) Vectors (defines a particular direction - plane normal) Miller Indices...
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Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 2: Structure of Ceramics
Online Presentations | 21 Sep 2008 | Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Structure of CeramicsIssues to Address...Structures of ceramic materials: How do they differ from that of metals?Define basic terms and give examples of each: Lattice Basis Atoms (Decorations or Motifs) Crystal Structure Unit Cell Coordination Numbers Describe hard-sphere packing and identify...