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Materials Modeling and Simulations for Nuclear FuelsMaterials Modeling and Simulations for Nuclear Fuels
Materials Modeling and Simulations for Nuclear Fuels Materials Modeling and Simulations for Nuclear Fuels


The first day of the workshop will be dedicated to thermo-mechanical properties and irradiation effects. The second day will start with transport phenomena. A panel discussion on the implications of the modeling and simulations of materials for nuclear fuels and the impact on the fuel performance codes will conclude the workshop. The agenda for the workshop is given below and is also available as a pdf document.

Organizing Committee
K. Chidester, Los Alamos National Laboratory, Chair
M. Stan, Los Alamos National Laboratory
R. Grimes, Imperial College, London, UK
M. Baskes, Los Alamos National Laboratory
K. McClellan, Los Alamos National Laboratory
S. P. Chen, Los Alamos National Laboratory

MONDAY, June 9
8:15a Welcome and Announcements, Santa Fe Room

Programmatic Context (Chair K. Chidester)
8:30a E. Arthur (NTA Office) The Six Laboratory Director Nuclear Initiative -- How Advanced Fuels Development Supports its Objective.
9:00a K. Pasamehmetoglu (AFCI Office) Overview of AFCI Fuel Development.
9:30a Discussion

9:45a COFFEE BREAK, Santa Fe Room

Session A: Modeling and Simulation Scales (Chair R. Grimes)
10:15a J. Wills (LANL) Prediction of Materials Properties for Nuclear Fuels from First Principles Calculations.
10:40a M. Baskes (LANL) The Role of Atomistic Modeling in Designing Materials.
11:05a M. Stan (LANL) Continuum Scale Simulations in Support of Nuclear Fuels Development.
11:30a Discussion

12:00p LUNCH, Coronado Room

Session B: Thermodynamic Properties (Chair J. Wallenius)
A. Niklasson (LANL) Modeling the Actinides with Disordered Local Moments.
1:55p S. M. Valone (LANL) Charge Fluctuation Models for Nuclear Fuels Properties.
2:20p S. G. Srivilliputhur (LANL) Atomistic Modeling to Develop New Nuclear Fuels: A Case Study Using the Am-N System.
2:45p Discussion

3:00p COFFEE BREAK, Santa Fe Room

Session C: Phase Stability (Chair J. Simmons)
P. Mason (AEA Technology, US/UK) Solidus and Liquidus Determinations for a UO2+x-ZrO2 Mixture.
3:55p M. Jolkkonen (KTH, Sweden) Decarburisation Reactions Modelled using Thermo-Calc and the ALCHYMY Database for Uranium-Free Fuels.
4:20p T. C. Wallace (LANL) Phase Stability in Materials for Nuclear Fuels Applications.
4:45p Discussion

5:00p Announcements

6:00p BANQUET, Coronado Room

TUESDAY, June 10
First Day Summary and Announcements, Santa Fe Room

Session D: Thermo-Mechanical Properties (Chair W. Ching)
I. Han (Arizona State Univ.) Micro-Hardness, Fracture Toughness, Fatigue and Texture Development in Sintered ZrN.
8:55a A. Zubelewicz (LANL) Micromechanics Based Characterization of Deformation Mechanisms and Damage in Heterogeneous Fuel-like Materials.
9:20a J. H. Simmons (Univ of Arizona) MD Simulations of Fracture in Silica - Effects at High Temperature.
9:45a J. Tulenko (Univ. of Florida) FRAPCON: A Computer Code for the Calculation of Steady-State, Thermal-Mechanical Behavior of Oxide Fuel Rods for High Burnup.
10:10a Discussion

10: 30a COFEE BREAK, Santa Fe Room

Session E: Transport Phenomena (Chair M. Baskes)
S. P. Chen (LANL) First Principles Calculations of the Transport Properties in Materials.
11:25a P. Cristea (LANL) Defect Thermochemistry of Nonstoichiometric Metal Oxides.
11:50a Discussion

12:00p LUNCH, Coronado Room

Session F: Irradiation Effects (Chair J. Tulenko)
W. Ching (Univ. of Missouri-Kansas City) Spectroscopic Signatures of Defected Ceramics.
1:55p J. Wallenius (KTH, Sweden) Atomistic Modelling of Radiation Damage in Fe-Cr alloys.
2:20p R. Grimes (Imperial College, UK) Fission Product Accommodation and Containment.
2:45p Discussion

3:00p COFFEE BREAK, Santa Fe Room

Session G: The Impact of Modeling and Simulations on Nuclear Fuels Development (Chair E. Arthur)
K. Chidester (LANL) Coupling Experiments and Simulations for Designing Materials for Nuclear Fuels.
3:45p Discussion: Modeling and Simulations in Support of Nuclear Fuel Development and Qualification.

4:45p Summary of the workshop.

5:00p Final Announcements and Goodbye

For information regarding the Technical Program please contact Marius Stan (mastan@lanl.gov).

For further information, email mastan@lanl.gov ...
AFC, Advanced Fkuel Cycle
AFC, Advanced Fkuel Cycle

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