
Illinois ECE 598EP Lecture 3.1  Hot Chips: Electrons and Phonons
17 Feb 2009   Contributor(s):: Eric Pop, Omar N Sobh
Electrons and Phonons

Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope
11 Feb 2009   Contributor(s):: Klaus Schulten
Computational MicroscopeAllatom 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...

Illinois PHYS 466, Lecture 4: Molecular Dynamics
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 Longterm stability of Verlet...

Illinois ECE 598EP Hot Chips: Atoms to Heat Sinks
27 Jan 2009   Contributor(s):: Eric Pop
This course pursues a parallel treatment of electrical and thermal issues in modern nanoelectronics, from fundamentals to systemlevel issues. Topics include energy transfer through electrons and phonons, mobility and thermal conductivity, power dissipation in modern devices (CMOS, phasechange...

Illinois ECE 598EP Lecture 1  Hot Chips: Atoms to Heat Sinks
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...

Illinois PHYS 466, Lecture 3: Basics of Statistical Mechanics
31 Jan 2009   Contributor(s):: David M. Ceperley
Basics of Statistical Mechanics Review of ensembles Microcanonical, canonical, MaxwellBoltzmann Constant pressure, temperature, volume,… Thermodynamic limit Ergodicity (see online notes also) Reading assignment: Frenkel and Smit pgs. 122.Content: The Fundamentals according to Newton “Molecular...

Illinois MatSE 280 Introduction to Engineering Materials, Lecture 9: Mechanical Failures
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...

Illinois MatSE485/Phys466/CSE485  AtomicScale Simulation
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 results...

Illinois PHYS 466, Lecture 1: Introduction
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: Multiscale computational materials research Short...

Microstructural Design of Electrically Active Materials and Devices Through Computational Modeling: The OOF Project
20 Jan 2009   Contributor(s):: R. Edwin García
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)...

Thermoelectric Power Factor Calculator for Superlattices
18 Oct 2008   Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using NonEquilibrium Green's Functions

Illinois MatSE 280 Introduction to Engineering Materials, Lecture 7: Mechanical Properties
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 inservice uses for ... Space exploration, Bridges for autos and people, skyscrapers, MEMS devices, Space elevator?Content: Stress and strain Elastic and Plastic Deformation of Metals...

NanoPlasmonic Bowtie Antenna Simulator
18 Mar 2008   Contributor(s):: Alexander S McLeod, Jeffrey B. Neaton, P. James Schuck, Eugene Song, Graham Chapman
A tool for simulating the nearfield enhancement effects of nanoscale bowtie antennae.

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 6: Diffusion in Solids
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 NonSteady State Simple Diffusion Interdiffusion Selfdiffusion...

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5  Part 2 : Line Defects, Dislocations and their Scale
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 Dislocations...

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5  Part 1 : Imperfections in Solids
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,...

Thermoelectric Power Factor Calculator for Nanocrystalline Composites
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 NonEquilibrium Green's Functions

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 4 : Polymer Structures
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?

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 4: Structures via Diffusion
28 Sep 2008   Contributor(s):: Duane Douglas Johnson, Omar N Sobh
Structures via DiffractionGoals Define basic ideas of diffraction (using xray, 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...

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 3 Part 3: Crystallographic Points, Directions, and Planes
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...