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Computational Materials Science Network (CMSN) Symposium
¡°Multiscale Simulation of Thermo-mechanical Processes in Irradiated Fission-Reactor Materials¡±
September 13-15, 2007
Radisson Hotel Salt Lake City Downtown
Parleys 1 conference room
Thursday, Sep. 13
| 7:45 : |
Registration and breakfast in the back of the conference room (Parleys 1) |
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Perspectives (Bill Weber, Chair) |
| 8:15-8:45: |
Dieter Wolf, INL, Introduction & CMSN project overview |
| 8:45-9:25: |
Rory Kennedy, INL, UO2-based nuclear fuel |
| 9:25-10:05: |
Vincenzo Rondinella, ITU Karlsruhe, Studies on properties and irradiation behaviour of nuclear fuels |
| 10:05-10:30: |
Break |
| 10:30-11:10: |
Dana Knoll, INL, Evolving plans for the GNEP fuels modeling and simulation effort |
| 11:10-11:50: |
Sidney Yip, MIT, A Computational materials science perspective |
| 12:00: |
Lunch served at the Radisson Hotel, Emigration Room
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Mesoscale Modeling (Anter El-Azab, Chair) |
| 1:30-2:10: |
Marius Stan, LANL, Mesoscale models and simulations of nuclear fuels |
| 2:10-2:50: |
Pascal Bellon, UIUC, Toward quantitative phase-field modeling of materials under irradiation |
| 2:50-3:30: |
Ben Larson, ORNL, 3D X-Ray microscopy characterization of materials microstructure on mesoscopic length scales |
| 3:30-3:50: |
Break |
| 3:50-4:30: |
Allen Bower, Brown University, Two-dimensional simulations of plastic deformation and microstructure evolution in polycrystals |
| 4:30-5:10: |
J.-S. Chen, UCLA, Meshfree approaches for modeling grain structure evolution |
| 5:10: |
Adjourn |
Friday, Sep. 14
| Atomistics and Electronic Structure as Input to Mesoscale Models(Jim Belak, Chair) |
| 7:45: |
Breakfast served in the back of the conference room (Parleys 1) |
| 8:15-8:55: |
Brian Wirth, UC Berkeley, Multi-scale investigation of the mechanisms controlling irradiation effects in materials and the promise of irradiation resistance |
| 8:55-9:35: |
Fei Gao, PNNL, Multi-scale simulations of irradiation effects in SiC: From ab-initio calculations to kinetic Monte Carlo simulations |
| 9:35-10:00: |
Break |
| 10:00-10:40: |
Blas Pedro Uberuaga, LANL, Radiation tolerance in structurally relatedoxides |
| 10:40-11:20: |
Susan Sinnott, UFL, Determination of point-defect formation energies in UO2 |
| 11:20-12:00: |
Rene Corrales, UAZ, Irradiation effects in oxide materials |
| 12:00: |
Lunch served at the Radisson Hotel, Emigration Room |
Atomistics and Electronic Structure as Input to Mesoscale Models(Vesselin Yamakov, Chair) |
| 1:30-2:10: |
Simon Phillpot, UFL, Thermal transport in UO2 from MD simulation |
| 2:10-2:50: |
Dane Morgan, UWis, Ab-initio based thermokinetic modeling for diffusion constants |
| 2:50-3:00: |
Break |
| Plenary Discussion (Sidney Yip, Chair) |
| 3:00-3:20: |
John Vetrano, DOE/BES, A perspective from BES |
| 3:20-4:20: |
Topic 1: Linkage with experiments: Microstructural processes and phenomena critical in nuclear fuels (Richard Wright, moderator) |
| 4:20-5:20: |
Topic 2: Linkage between our CMSN project and appliedsimulation programs (e.g. GNEP) (Kurt Sickafus, moderator) |
| 5:20: |
Adjourn |
Saturday, Sep. 15
CMSN Team Meeting: Review and Coordination of CMSN Thrust |
| 7:45: |
Breakfast served in the back of the conference room (Parleys 1) |
| 8:15-8:40: |
Simon Phillpot and Dieter Wolf, Directorate¡¯s Report;
What we decided at last year¡¯s kick-off meeting in SLC (distribution of funds, major thrusts, ¡¦) |
| 8:40-9:00: |
Progress report by Anter El-Azab |
| 9:00-9:30: |
Progress reports by Simon Phillpot and Susan Sinnott |
| 9:30-9:50: |
Progress report by Rene Corrales |
| 9:50-10:10: |
Progress report by Ram Devanathan (to be given by Bill Weber) |
| 10:10-10:30: |
Progress report by Dieter Wolf |
| 10:30-11:30: |
Team discussion: What¡¯s next? Where do we go from here? Action Items¡¦ |
| 11:30: |
Adjourn |
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