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2011 MRS Fall Meeting & Exhibit

November 28-December 2, 2011 | Boston

Meeting Chairs: Cammy R. Abernathy, Paul V. Braun, Masashi Kawsaki, Kathyn J. Wahl

Symposium A : Material Challenges in Current and Future Nuclear Technologies

2011-11-28   Show All Abstracts

Symposium Organizers

Karl R. Whittle Australian Nuclear Science and Technology Organisation
Marjorie Bertolus CEA, DEN, DEC/SESC/LLCC
Blas Uberuaga Los Alamos National Laboratory
Robin W. Grimes Imperial College London
A1: Nuclear Fuels I
Session Chairs
Robin Grimes
Karl Whittle
Monday AM, November 28, 2011
Independence W (Sheraton)

9:30 AM - **A1.1
Radiation Resistance of UO2 under Severe Damaging Conditions.

Thierry Wiss 1 , Arne Janssen 1 , Hartmut Thiele 1 , Bert Cremer 1 , Jean-Yves Colle 1 , Dragos Staicu 1 , Vincenzo Rondinella 1 , Rudy Konings 1
1 , European Commission - JRC - ITU, Karlsruhe Germany

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10:00 AM - A1.2
Sesquioxide Effect on Thermal Diffusion Processes in UO2.

Simon Middleburgh 1 2 , Robin Grimes 1 , Paul Blair 2 , Karin Oldberg 2
1 Department of Materials, Imperial College London, London United Kingdom, 2 Materials and Fuel Rod Design, Westinghouse Electric Sweden, Vasteras Sweden

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10:15 AM - A1.3
Effect of Lanthanide and Actinide Substitution in UO2 Using Atomic Level Simulations.

Rakesh Behera 1 , Chaitanya Deo 1
1 Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical Engineering , Georgia Institute of Technology, Atlanta, Georgia, United States

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10:30 AM - A1.4
Effect of Cr Segregation to UO2 Grain Boundaries.

Minki Hong 1 , Simon Phillpot 1 , Blas Uberuaga 2 , Chris Stanek 2 , Susan Sinnott 1
1 MSE, University of Florida, Gainesville, Florida, United States, 2 , Los Alamos National Laboratory, Los Alamos, New Mexico, United States

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10:45 AM - A1.5
Crack Tip Plasticity in Single Crystal UO2: Atomistic Study.

Yongfeng Zhang 1 , Xiangyang Liu 2 , Bulent Biner 1 , Paul Millett 1 , Michael Tonks 1 , David Andersson 2
1 Fuel Modeling and Simulation, Idaho National Lab, Idaho Falls , Idaho, United States, 2 Structure/Property Relations, Los Alamos National Lab., Los Alamos, New Mexico, United States

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11:00 AM - *
Coffee Break

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11:30 AM - A1.6
Multiscale Fuel Performance Simulation of Metallic Reactor Fuels.

Michael Tonks 1 , Paul Millett 1 , Bulent Biner 1
1 Fuels Modeling and Simulation, Idaho National Laboratory, Idaho Falls, Idaho, United States

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11:45 AM - A1.7
Chemical Behavior of Oxide Nuclear Fuel: Recycle and High Burn-up.

Theodore Besmann 1 , Stewart Voit 1 , Dongwon Shin 1 , Evan Noon 1 , Robert Austin 1
1 Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States

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12:00 PM - A1.8
Spark Plasma Sintering of Fuel Cermets for Nuclear Reactor Applications.

Yang Zhong 1 2 , Robert O'Brien 1 , Steve Howe 1 , Nathan Jerred 1 , Kristopher Schwinn 1 , Amy Kaczmarowski 1 , Joshua Hundley 1 , Laura Sudderth 1
1 , Center for Space Nuclear Research, Idaho National Lab, Idaho Falls, Idaho, United States, 2 Department of Chemical, Materials and Biomolecular Engineering, University of Connecticut, Storrs, Connecticut, United States

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12:15 PM - A1.9
Effect of Intergranular Gas Bubbles on Thermal Conductivity.

Karthik Chockalingam 1 , Paul Millett 1 , Michael Tonks 1 , Bulent Biner 1 , Liangzhe Zhang 1 , Yangfeng Zhang 1
1 Nuclear Fuels and Materials, Idaho National Laboratory, Idaho National Laboratory, Idaho Falls, Idaho, United States

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12:30 PM - A1.10
Phase-Field Modeling of Pore Migration in Nuclear Fuels Due to a Temperature Gradient.

Liangzhe Zhang 1 , Michael Tonks 1 , Paul Millett 1 , Bulent Biner 1 , Yongfeng Zhang 1 , Karthikeyan Chockalingam 1
1 Fuels Modeling and Simulation, Idaho National Laboratory, Idaho Falls, Idaho, United States

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12:45 PM - A1.11
HIP Bonded U-10Mo Monolithic Fuel Plates with a Modified Fuel to Cladding Interface.

Jan-Fong Jue 1 , Blair Park 2 , Cynthia Breckenridge 1 , Jeffery Hess 1 , Glenn Moore 2 , Dennis Keiser 1 , Daniel Wachs 1
1 Fuel Performance & Design, Idaho National Laboratory, Idaho Falls, Idaho, United States, 2 Fuel Fabrication, Idaho National Laboratory, Idaho Falls, Idaho, United States

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A2: Radiation Damage - Ceramics
Session Chairs
Jonathan Hinks
Christopher Stanek
Monday PM, November 28, 2011
Independence W (Sheraton)

2:30 PM - A2.1
Self-Healing Response of Ionic Crystals to Irradiation: Can Damage be Good?

Dilpuneet Aidhy 1 , Dieter Wolf 1
1 , ANL, Argonne, Illinois, United States

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2:45 PM - A2.2
Dynamic Recovery in Silicate Apatite Structures under Irradiation and Implications for Long-Term Performance Modeling.

William Weber 1 2 , Yanwen Zhang 2 1 , Haiyan Xiao 1 , Lumin Wang 3
1 Materials Science & Engineering, University of Tennesee, Knoxville, Tennessee, United States, 2 Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States, 3 Nuclear Engineering & Radiological Sciences, The University of Michigan, Ann Arbor, Michigan, United States

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3:00 PM - A2.3
Defects, Minor Phases and Microstructures in O+ and Zr+ Ion Co-implanted Strontium Titanate: A Model Nuclear Waste Form.

Weilin Jiang 1 , Mark Bowden 1 , Zihua Zhu 1 , Libor Kovarik 1 , Bruce Arey 1 , Przemyslaw Jozwik 2 3 , Jacek Jagielski 2 3 , Anna Stonert 3
1 , Pacific Northwest National Laboratory, Richland, Washington, United States, 2 , Institute of Electronic Materials Technology, Warsaw Poland, 3 , The Andrzej Soltan Institute for Nuclear Studies, Otwock Poland

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3:15 PM - A2.4
Post Irradiation Examination of Neutron Irradiated Inert Matrix Ceramics.

Donald Moore 1 , Cynthia Papesch 2 , Brandon Miller 2 , Pavel Medvedev 2 , Juan Nino 1
1 Materials Science and Engineering, University of Florida, Gainesville, Florida, United States, 2 , Idaho National Laboratory, Idaho Falls, Idaho, United States

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3:30 PM - **A2.5
Ion Irradiation Induced Defects in Non-Metallics.

Philip Edmondson 1 , Fereydoon Namavar 2 , Robert Birtcher 3 , Jonathan Hinks 4 , Stephen Donnelly 4 , William Weber 5 1 , Yanwen Zhang 1 5
1 Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States, 2 , University of Nebraska Medical Center, Omaha, Nebraska, United States, 3 Materials Science Division, Argonne National Laboratory, Argonne, Illinois, United States, 4 School of Computing and Engineering, University of Huddersfield, Huddersfield, West Yorkshire, United Kingdom, 5 Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee, United States

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4:00 PM - *
Coffee Break

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4:30 PM - A2.6
Pyrochlore-Fluorite Transitions in Y2Sn2-xZrxO7: Implications for Stability.

Massey de los Reyes 1 , Karl R Whittle 1 , Robert G Elliman 2 , Nestor J Zaluzec 3 , Sharon E Ashbrook 4 , Martin R Mitchell 4 , Gregory R Lumpkin 1
1 Materials Engineering, ANSTO, Sydney, New South Wales, Australia, 2 Department of Electronic Materials Engineering, Australian National University, Canberra, Australian Capital Territory, Australia, 3 Materials Science Division, Argonne National Laboratory, Chicago, Illinois, United States, 4 School of Chemistry, University of St. Andrews, St. Andrews, Fife, United Kingdom

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4:45 PM - A2.7
The Role of Sn, Zr and Hf in the Radiation Damage in II,III, IV, and V Pyrochlores.

Karl Whittle 1 , Massey de los Reyes 1 , Yan Gao 1 , Mark Blackford 1 , Nestor Zaluzec 2 , Gregory Lumpkin 1
1 Materials Engineering, ANSTO, Sydney, New South Wales, Australia, 2 Materials Science Division, Argonne National Laboratory, Argonne, Illinois, United States

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5:00 PM - A2.8
Structural Features in Fluorite Compounds Relevant for Nuclear Applications.

Gianguido Baldinozzi 1 2 , David Simeone 2 1 , Dominique Gosset 2 1 , Laurence Luneville 2 1 , Lionel Desgranges 3
1 SPMS, MFE, CNRS, Chatenay-Malabry France, 2 DEN, DANS, DMN, SRMA, MFE, CEA, Gif-sur-Yvette France, 3 DEN, DEC, SESC, CEA, St Paul lez Durance France

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5:15 PM - A2.9
Swift Heavy Ion Induced Amorphization of ZrO2.

Fengyuan Lu 1 , Maik Lang 2 , Jianwei Wang 2 , Fereydoon Namavar 3 , Christina Trautmann 4 , Rodney Ewing 2 , Jie Lian 1
1 Mechanical, Aerospace and Nuclear Engineering, RPI, Troy, New York, United States, 2 Geological Sciences, University of Michigan, Ann Arbor, Michigan, United States, 3 , University of Nebraska Medical Center, Omaha, Nebraska, United States, 4 , GSI Helmholtzzentrum Schwerionenforsch, Darmstadt Germany

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2011-11-29   Show All Abstracts

Symposium Organizers

Karl R. Whittle Australian Nuclear Science and Technology Organisation
Marjorie Bertolus CEA, DEN, DEC/SESC/LLCC
Blas Uberuaga Los Alamos National Laboratory
Robin W. Grimes Imperial College London
A3: Nuclear Fuels II
Session Chairs
Majorie Bertolus
Thierry Wiss
Tuesday AM, November 29, 2011
Independence W (Sheraton)

9:15 AM - A3.1
Computational Modeling of Iso- and Aliovalently Doped ThO2 and UO2.

Vitali Alexandrov 1 2 , Niels Gronbech-Jensen 3 , Alexandra Navrotsky 1 4 , Mark Asta 2 1
1 Department of Chemical Engineering and Materials Science and NEAT ORU, University of California, Davis, Davis, California, United States, 2 Department of Materials Science and Engineering, University of California, Berkeley, Berkeley, California, United States, 3 Department of Applied Science, University of California, Davis, Davis, California, United States, 4 Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, Davis, California, United States

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9:30 AM - A3.2
Electrochemistry of Defects in Irradiated UO2.

Abdel-Rahman Hassan 1 , Thomas Hochrainer 2 , Jianguo Yu 3 , Xianming Bai 3 , Todd Allen 4 , Anter El-Azab 2
1 Materials Science and Engineering Program, Florida State University , Tallahassee, Florida, United States, 2 Department of Scientific Computing , Florida State University, Tallahassee, Florida, United States, 3 , Idaho National Laboratory, Idaho Falls, Idaho, United States, 4 , University of Wisconsin, Madison, Wisconsin, United States

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9:45 AM - A3.3
First-Principles Modeling of Defects Behavior in Ceramic Fuels.

Ying Chen 1 , Hua Y. Geng 2 , Yasunori Kaneta 3 , Jia C. Shang 4 , Motoyasu Kinoshita 5 , Shuichi Iwata 3
1 Department of Nanomechanics, Tohoku University, Sendai, Miyagi, Japan, 2 , Institute of Fluid Physics, Mianyang, Sichuan, China, 3 , The University of Tokyo, Tokyo Japan, 4 , Nuclear Power Institute of China, Chengdu, Sichun, China, 5 , Central Research Institute of Electric Power Industry, Tokyo Japan

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10:00 AM - A3.4
Phase-Field Simulation of Intergranular Bubble Growth and Percolation.

Paul Millett 1 , Michael Tonks 1 , Bulent Biner 1
1 , Idaho National Laboratory, Idaho Falls, Idaho, United States

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10:15 AM - A3.5
Near-Surface Stoichiometry in UO2: A DFT Study.

Jianguo Yu 1 , Xian-Ming Bai 1 , Anter El-Azab 2 , Todd Allen 3 1
1 , Idaho National Laboratory, Idaho Falls, Idaho, United States, 2 , Florida State University, Tallahassee, Florida, United States, 3 , University of Wisconsin, Madison, Wisconsin, United States

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10:30 AM - A3.6
DFT+U Investigation of Oxygen, Uranium and Xenon Transport in Uranium Dioxide Using Electronic Occupancy Control.

Marjorie Bertolus 1 , Boris Dorado 1 2 , David Andersson 2 , Philippe Garcia 1 , Michel Freyss 1 , Blas Uberuaga 2 , Christopher Stanek 2
1 , CEA, DEN, Saint-Paul-lez-Durance France, 2 MST Division , Los Alamos National Laboratory, Los Alamos, New Mexico, United States

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10:45 AM - A3.7
Simulations of Xe Redistribution in UO2: From Atomistics to Continuum.

David Andersson 1 , Blas Uberuaga 1 , Michael Tonks 2 , Paul Millett 2 , Chris Stanek 1
1 , Los Alamos National Laboratory, Los Alamos, New Mexico, United States, 2 , Idaho National Laboratory, Idaho Falls, Idaho, United States

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11:00 AM - *
Coffee Break

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11:30 AM - A3.8
On the Deformation of UO2: A Molecular Dynamics Study.

Paul Fossati 1 , Remi Dingreville 3 4 , Laurent Van Brutzel 1 , Jean-Paul Crocombette 2 , Timothy Bartel 4
1 DEN/DPC/SCP, CEA Saclay, Gif-sur-Yvette France, 3 Department of Mechanical and Aerospace Engineering, Polytechnic Institute of New York University, Brooklym, New York, United States, 4 Advanced Nuclear Fuel Cycle Tech., Sandia National Laboratories, Albuquerque, New Mexico, United States, 2 DEN/DMN/SRMP, CEA Saclay, Gif-sur-Yvette France

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11:45 AM - A3.9
Temperature Accelerated Dynamics Simulations of Defect Clustering in UO2.

Xian-Ming Bai 1 , Jianguo Yu 1 , Anter El-Azab 2 , Todd Allen 3 1
1 , Idaho National Laboratory, Idaho Falls, Idaho, United States, 2 , Florida State University, Tallahassee, Florida, United States, 3 , University of Wisconsin, Madison, Wisconsin, United States

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12:00 PM - **A3.10
Properties of Vacancy Defects Induced in UO2 by Irradiation and Probed by Using Positron Annihilation Spectroscopy.

Marie-France Barthe 1 , Tayeb Belhabib 1 , Stéphanie Leclerc 1 , Laszlo Liszkay 1 , Hicham Labrim 1 , Virginie Moineau 1 , Pierre Desgardin 1 , Gaelle Carlot 2 , Philippe Garcia 2
1 CEMHTI, CNRS, Orleans France, 2 DEN/DEC/SESC, CEA, Saint Paul lez Durance France

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12:30 PM - **A3.11
Atomistic Simulation of Nuclear Fuels.

Matthias Krack 1
1 , Paul Scherrer Institute, Villigen PSI Switzerland

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A4: Radiation Damage - Metals
Session Chairs
Steven Kenny
Tuesday PM, November 29, 2011
Independence W (Sheraton)

2:45 PM - A4.2
Irradiation-Induced Creep in Dilute Nanostructured Cu-W Alloys.

Kaiping Tai 1 , Yinon Ashkenazy 2 , Robert S. Averback 1 , Pascal Bellon 1
1 Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois, United States, 2 Racah Institute of Physics, Hebrew University of Jerusalem, Jerusalem Israel

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3:00 PM - A4.3
An Atomic-Level Perspective into the Evolution of Interfaces in Purposed Radiation Tolerant Materials.

Jeffery Aguiar 1 2 , Nigel Browning 1 2 5 , Luke Hsiung 2 , Michael Fluss 2 , Peter Hosemann 3 4 , Sanchita Dey 1
1 Chemical Engineering and Material Science Department, University of California Davis, Davis, California, United States, 2 Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, California, United States, 5 Molecular Cell Biology, University of California Davis, Davis, California, United States, 3 Nuclear Engineering, University of California Berkeley, Berkeley, California, United States, 4 , Los Alamos National Laboratory, Los Alamos, New Mexico, United States

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