
Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5  Part 1 : Imperfections in Solids
14 Nov 2008  Online Presentations  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...
http://nanohub.org/resources/5845

Illinois MATSE 280 Introduction to Engineering Materials, Lecture 5  Part 2 : Line Defects, Dislocations and their Scale
14 Nov 2008  Online Presentations  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...
http://nanohub.org/resources/5864

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...
http://nanohub.org/resources/5888

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 inservice uses for ...
Space exploration, Bridges for autos and people,...
http://nanohub.org/resources/6052

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...
http://nanohub.org/resources/6108

Illinois MATSE 280: Introduction to Engineering Materials
18 Aug 2008  Courses  Contributor(s): Duane Douglas Johnson
This course introduces you to the materials science and engineering of metals,
ceramics, polymers, and electronic materials.
Topics include: bonding, crystallography, imperfections,...
http://nanohub.org/resources/5220

Illinois MatSE485/Phys466/CSE485  AtomicScale 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,...
http://nanohub.org/resources/6164

Illinois PHYS 466, Lecture 10: Sampling
20 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley, Omar N Sobh
Fundamentals of Monte Carlo
What is Monte Carlo?
Named at Los Alamos in 1940’s after the casino.
Any method which uses (pseudo)random numbers> as an essential part of the algorithm.
...
http://nanohub.org/resources/6507

Illinois PHYS 466, Lecture 11: Importance Sampling
20 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Importance sampling
Today We will talk about the third option: Importance sampling and correlated sampling
Content:
Importance Sampling
Finding Optimal p*(x) for Sampling
Example of...
http://nanohub.org/resources/6488

Illinois PHYS 466, Lecture 12: Random Walks
30 Mar 2009  Online Presentations  Contributor(s): David M. Ceperley
Random Walks
Today we will discuss Markov chains (random walks), detailed balance and transition rules.
These methods were introduced by Metropolis et al. in 1953
who applied it to a...
http://nanohub.org/resources/6544

Illinois PHYS 466, Lecture 13: Brownian Dynamics
08 Apr 2009  Online Presentations  Contributor(s): David M. Ceperley
Brownian Dynamics
Let’s explore the connection between Brownian motion and Metropolis Monte Carlo. Why?
Connection with smart MC
Introduce the idea of kinetic Monte Carlo
Get rid of...
http://nanohub.org/resources/6635

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
...
http://nanohub.org/resources/6182

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, MaxwellBoltzmann
Constant pressure, temperature, volume,…
Thermodynamic limit
Ergodicity ...
http://nanohub.org/resources/6198

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:
...
http://nanohub.org/resources/6239

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...
http://nanohub.org/resources/6294

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...
http://nanohub.org/resources/6411

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
Linearresponse theory
Diffusion constants, velocityvelocity auto...
http://nanohub.org/resources/6409

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
NoseHoover thermostat (FS 6.1.2)
NoseHoover thermodynamics
...
http://nanohub.org/resources/6420

Introduction to and Advances in SelfHealing Polymers
14 Jun 2007  Online Presentations  Contributor(s): Gerald O. Wilson
The presenter briefly introduces the topic of SelfHealing Polymer research and continues to give a Survey of Ruthenium Metathesis Catalysts for Ring Opening Metathesis PolymerizationBased...
http://nanohub.org/resources/2808

Materials Science on the Atomic Scale with the 3D Atom Probe
08 Nov 2006  Online Presentations  Contributor(s): George D. W. Smith
Some of the key goals of materials science and technology are to be able to design a material from first principles, to predict its behaviour, and also to optimise the processing route for its...
http://nanohub.org/resources/1973