Workshop Agenda (16 March 2004)
Early registration: 5:00-7:00 pm Tuesday, 30 March
Registration begins: 7:00 am Wednesday
workshop report (pdf)
Wednesday, 31 March (Panelists meet at 7:45 am) |
Thursday, 1 April |
Friday, 2 April |
8:30-9:00 am
DOE SC-NE Welcome and Charge to Panel |
8:30-10:00 am Session III(a) |
8:30-12:00 noon
Panelists and Organizers
Breakout sessions and
document preparation |
9:00-10:10 am
Session I(a) |
10:10-10:30 am Break | 10:00 - 10:20 am Break |
10:30-11:30 am
Session I(b) | 10:20-11:45 am Session III(b) |
11:30-12:45 Lunch | 11:45-1:00 pm Lunch | 12:00 – 1:00 Wrap-up Lunch |
12:45-2:30 pm Session II(a) |
1:00-2:30 pm Session IV(a) | |
2:30-2:50 pm Break | 2:30-2:50 pm Break |
2:50-5:45 pm Session II(b) |
2:50-4:00 pm Session IV(b) |
4:00-5:00 pm Session V(a) Panelists and Organizers |
6:45 pm
Open Reception: All | 6:00-9:30 pm Working dinner: Panelists and Organizers
Session V(b) |
Description of Workshop Sessions
DOE SC-NE Welcome and Charge to Panel – Chairman James Roberto (ORNL)
William D. Magwood, IV, Director, DOE Office of Nuclear Energy
Raymond L. Orbach, Director, DOE Office of Science
Roger E. Stoller, Co-organizer, Oak Ridge National Laboratory
(pdf)
Session I: Overview of relevant irradiation environments (Charge-d) - 2 hours
Program
(pdf) Bill Wolfer, introduction to radiation damage in materials
(pdf) Todd Allen, Gen-IV fission reactor environments
(pdf) Steve Zinkle, fusion and spallation irradiation conditions
(pdf) Jean-Louis Boutard, EU programs on simulating radiation damage environments
Session II: Current state of the art in relevant multiscale computational materials science models, what phenomena can be adequately modeled (Charge-b) - 4.5 hours
Program
(pdf) Malcolm Stocks, ab initio methods
(pdf) Michael Moseler, interatomic potentials
(pdf) Art Voter (with Robert Averback and Stephen Foiles) atomistic simulations, MD
(pdf) Michel Guttmann, kinetic methods, MC, multiscale modeling
(pdf) Tomas Diaz de la Rubia, insights from ASCI research, dislocation dynamics
(pdf) Greg Olson (with Dennis Dimiduk), integrated methods in materials design, AIM project
(pdf) Hideo Kaburaki, molecular dynamics study on radiation hardening and fracture processes in FCC metals
David Bacon, University of Liverpool |
djbacon@liverpool.ac.uk |
Session Chairman, International Advisory Committee |
Graeme Ackland, University of Edinburgh |
G.J.Ackland@Edinburgh.ac.uk | |
Robert Averback, University of Illinois |
averback@uiuc.edu | |
Stephen Foiles, Sandia National Laboratory |
foiles@sandia.gov | |
Michael Moseler, Fraunhofer Institute for Mechanics of Materials, Frieburg |
moseler@iwm.fraunhofer.de | |
Michel Guttmann, Commissariat à l'Energie Atomique |
michel.guttmann@cea.fr | |
Hideo Kaburaki, JAERI |
kaburaki@sugar.tokai.jaeri.go.jp |
|
Greg Olson, Northwestern University |
g-olson@nwu.edu | (Wednesday only) |
Malcolm Stocks, Oak Ridge National Laboratory |
stocksgm@ornl.gov | |
Valentin Vaks, Kurchatov Institute |
vaks@mbslab.kiae.ru | |
Art Voter, Los Alamos National Laboratory |
afv@lanl.gov | |
Roger Stoller, Oak Ridge National Laboratory |
rkn@ornl.gov |
Organizer (OBES) |
Session III: Where do we need to go, goals and targets for understanding and predicting material performance (Charge-a) - 3 hours
Program
(pdf) Bob Odette, deformation and fracture mechanisms and related phenomena
(pdf) Roger Stoller (with Todd Allen), helium effects on void swelling and IASCC
(pdf) David Bacon, dislocation interactions, dislocation dynamics
(pdf) Georges Martin, open questions in modeling behavior of concentrated alloys
(pdf) Graeme Ackland, potential future for improved and alloy interatomic potentials
(pdf) Malcolm Stocks, relevant future directions in ab initio, and linking to other methods
Nasr Ghoniem, UCLA |
ghoniem@ucla.edu |
Session Chairman, International Advisory Committee |
Graeme Ackland, University of Edinburgh |
G.J.Ackland@Edinburgh.ac.uk | |
Todd Allen, University of Wisconsin |
allen@engr.wisc.edu | |
Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory |
diazdelarubia1@llnl.gov | |
Sergei Dudarev, UK AEA, Culham |
sergei.dudarev@ukaea.org.uk | |
Georges Martin, Commissariat à l'Energie Atomique |
gpmartin@cea.fr | |
Jean Claude Van Duysen, Electricité de France (EDF) |
jean-claude.van-duysen@edf.fr |
|
G. Robert Odette, University of California at Santa Barbara |
odette@engineering.ucsb.edu | |
Art Voter, Los Alamos National Laboratory |
afv@lanl.gov | |
Steve Zinkle, Oak Ridge National Laboratory |
zinklesj@ornl.gov | Organizer (OFES) |
Roger Stoller, Oak Ridge National Laboratory |
rkn@ornl.gov | Organizer (OBES) |
Session IV: What can advanced computational science provide, i.e. expected growth over next ~10 years (Charge-c) - 2.5 hours
Program
Session IV: (in progress)
(pdf) Bill Gropp, Hardware and software environments for high-end simulation
(pdf) Doug Post, Lessons learned from ASCI software projects
(pdf) Francois Gygi, Current limits of first principles simulations
(pdf) Leslie Greengard, Fast algorithms for potential problems and molecular dynamics
(Intro pdf |
Discussion pdf) David Keyes, Lessons learned from SciDAC and software from the SciDAC ISICs
Session V: How can we bridge the gap (between II and III)? Discussion and planning for workshop report and roadmap. (Charges a-d) - 1 hour plus post-dinner discussion
Overall discussion of workshop goals and presentations, e.g.
- expected contribution of computational methods and development
- role of ongoing experimental activities, possible environments for radiation damage simulation
appropriate to the desired application
- relationship and balance between theory/modeling and experiments, e.g. use of modeling to suggest critical experiments and role of experimental data in model verification
Program
Sessions V(a) and V(b) on Thursday afternoon and evening are intended to lay the groundwork for writing the workshop report by providing some overall perspective on what was presented in Sessions I-IV.
Doug Post has been asked to make an opening presentation in Session V(a). As a computational physicist, he will provide a useful perspective and assessment from outside the materials community by summarizing his understanding of the issues that have been addressed in the workshop, and the larger issues related to computational science (e.g. see his recent paper entitled “The Coming Crisis in Computational Science”).
Colin English will lead an overall discussion of the workshop in the balance of Session V(a) and in V(b) following the Thursday night dinner. This discussion should act to recapitulate the major points from the workshop presentations and to help the panelists begin to focus on potential conclusions and recommendations that need to be included in the Workshop report to the DOE.
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