2011 MedeA Users Group Meeting

October 3, 2011

Wednesday, November 2, 2011: MedeA workshop Thursday, November 3, 2011: Scientific presentations Friday, November 4, 2011: Recent Developments

 

Agenda

Wednesday, November 2, 2011: MedeA workshop

 

8:00 - 11:45 MedeA hands-on training (in two groups)

11:45 lunch

12:45 - 17:00 MedeA hands-on training (in two groups)

 

Thursday, November 3, 2011

 

8:00 Erich Wimmer, Materials Design, Inc. Opening Remarks

 

8:15 Dr. Steve Plimpton, Sandia National Laboratories, Molecular Dynamics Modeling via LAMMPS: Capabilities and Future Plans

 

9:00 Clive Freeman, Materials Design, Inc. Embedded Atom Method Simulations using MedeA® and LAMMPS

 

9:30 Prof. Srini Srivilliputhur, University of North Texas, Simulation of Dislocations Using Embedded Atom Potentials.

 

10:00 break

 

10:30 Dr. James Vollmer, TerraPower, Using MedeA/VASP to Better Understand Fuel-Clad Chemical Interaction.

 

11:00 Dr. Amra Peles, United Technologies Research Center, Tuning the Oxygen Reduction Activity with Size and Shape Controlled Nano Particles

 

11:30 Dr. Julie Tucker, Knolls Atomic Power Laboratory, Role of alloying elements in Fe-Cr Phase Separation.

 

12:00 lunch

 

13:30 Dr. D. Brooke Hatfield, Raytheon Missile Systems, New perspectives on tin whiskers based on atomistic modeling.

 

14:00 Dr. Jimmy Eason, Baker Hughes, Isotropic Limits of Cemented Carbide: Isotropy from Anisotropy

 

14:30 Dr. Yaron Amouyal, Technion - Israel Institute of Technology, Density Functional Theory with Atom-Probe Tomography for Studying Atomistic-Level Phenomena in Solids.

 

15:00 break

 

15:30 Prof. Georg Kresse of University of Vienna
will give us his insight into the latest developments of VASP.

 

16:40 Erich Wimmer, Materials Design, Inc. Wrap-up of the First Day

 

18:00 Reception and Banquet at Boston Science Museum.

 

Private planetarium show & Banquet

Friday, November 4, 2011,

Chaired by Paul Saxe

 

8:00 Clive Freeman, Materials Design, Inc., MedeA Development Overview

 

8:45 Erich Wimmer, Materials Design, Inc., Development in Solids Simulation

 

9:30 Philippe Ungerer, Materials Design, Inc., Developments in Fluids Simulation

 

10:15 break

 

10:45 David Rigby, Clive Freeman, Materials Design, Inc., Developments in Polymer Simulation

 

11:15 General Discussion of MedeA Enhancements.

 

Contact (for all open questions):

 

Ellen Goins, egoins@materialsdesign.com +1-760-495-4924

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