Workshop II: Atomistic and Mesoscale Modeling of Materials Defects - IPAM

Workshop II: Atomistic and Mesoscale Modeling of Materials Defects

Part of the Long Program Materials Defects: Mathematics, Computation, and Engineering
October 22 - 26, 2012

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, October 22, 2012

Morning Session

08:00-08:55
Check-In/Light Breakfast (Hosted by IPAM)
08:55-09:00
Welcome and Opening Remarks
09:00-09:50
Dallas Trinkle (University of Illinois at Urbana-Champaign)
Dislocation cores and defect interactions from first principles: Current state of the art and new challenges
10:00-10:15
Break
10:15-11:05
Wei Cai (Stanford University)
Entropic Effect On the Rate of Dislocation Nucleation
11:15-11:30
Break
11:30-12:20
Kristen Fichthorn (Pennsylvania State University)
Accelerating Rare-Event Simulations by Solving the Small-Barrier Problem

Afternoon Session

12:30-14:30
Lunch (on your own)
14:30-15:20
Ken Elder (Oakland University)
Pattering of Heteroepitaxial Overlayers from Nano to Micron Scales
15:30-16:00
Break
16:00-16:50
Steve Wise (University of Tennessee)
Title not available
17:00-19:00
Poster Session & Reception (Hosted by IPAM)

Tuesday, October 23, 2012

Morning Session

08:00-09:00
Continental Breakfast
09:00-09:50
Mark Asta (University of California, Berkeley (UC Berkeley))
Insights into Grain-Boundary Motion through Coupling of In-Situ Electron Microscopy and Molecular Dynamics Simulations
10:00-10:15
Break
10:15-11:05
Danny Perez (Los Alamos National Laboratory)
Vibrational contributions to kinetics in the solid state
11:15-11:30
Break
11:30-12:20
Abhijit Chatterjee (Indian Institute of Technology Kanpur)
Building an Error Measure for a Kinetic Monte Carlo Model

Afternoon Session

12:30-14:30
Lunch (on your own)
14:30-15:20
Christoph Ortner (University of Warwick)
Optimising Multiscale Defect Simulations
15:30-16:00
Break
16:00-16:50
Marisol Koslowski (Purdue University)
Effect of microstructural uncertainty on the mechanical response of nanocrystalline materials

Wednesday, October 24, 2012

Morning Session

08:00-09:00
Continental Breakfast
09:00-09:50
Irene Beyerlein (University of California, Santa Barbara (UCSB))
Interface-driven microstructure evolution in two-phase nanocomposites
10:00-10:15
Break
10:15-11:05
Anthony Rollett (Carnegie-Mellon University)
Hot Spots in Viscoplastic Deformation of Polycrystals
11:15-11:30
Break
11:30-12:20
Abdelkader Kara (University of Central Florida)
Self-Learning Kinetic Monte Carlo: From 2D on-lattice to 3D off-lattice and beyond

Afternoon Session

12:30-14:30
Lunch (on your own)
14:30-15:20
Alexander Stukowski (OVITO GmbH)
Large-Scale Atomistic Simulations of Crystals: Defect Identification and Indexing Methods
15:30-16:00
Break
16:00-16:50
John Lowengrub (University of California, Irvine (UCI))
Bijels: Stabilizing Fluid-fluid Interfaces by Colloidal Particles - A Navier-Stokes-Cahn-Hilliard-Phase-Field-Crystal Approach

Thursday, October 25, 2012

Morning Session

08:00-09:00
Continental Breakfast
09:00-09:50
Talat Rahman (University of Central Florida)
The extended Self Learning Kinetic Monte Carlo Method: now lurking into 3D*
10:00-10:15
Break
10:15-11:05
David Rodney (Institut National Polytechnique de Grenoble (INPG))
Understanding the thermally activated glide of dislocations from the atomic scale
11:15-11:30
Break
11:30-12:20
Arvind Baskaran (National Institute of Standards and Technology)
Title not available

Afternoon Session

12:30-14:30
Lunch (on your own)
14:30-15:20
Shaun Hendy (Victoria University of Wellington)
Effective rate constants for nanostructured heterogeneous catalysts
15:30-16:00
Break
16:00-16:50
Brian Laird (University of Kansas)
Atomistic simulations of chemically heterogeneous metal interfaces

Friday, October 26, 2012

Morning Session

08:00-09:00
Continental Breakfast
09:00-09:50
Jim Evans (Iowa State University)
Self-assembly and directed-assembly of multi-component metal nanoclusters
10:00-10:15
Break
10:15-11:05
Xanthippi Markenscoff (University of California, San Diego (UCSD))
Driving forces on moving defects: dislocations and phase boundaries (with inertia effects)
11:15-11:30
Break
11:30-12:20
Jeremy Mason (Lawrence Livermore National Laboratory)
Rigorous quantification of the grain growth microstructure in two and three dimensions

Afternoon Session

12:30-14:30
Lunch (on your own)
14:30-15:20
Tim Schulze (University of Tennessee)
Off-lattice KMC simulation of quantum dot formation
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