Plutonium Futures—The Science 2010

Keystone, Colorado

September 19-23,2010

Sponsored by the

American Nuclear Society's Materials Science and

Technology Division

Published by the

American Nuclear SocietyLaGrange Park, Illinois 60526 USA

TABLE OF CONTENTS

MONDAY, SEPTEMBER 20,2010, 8:00 A.M.

Plenary Session—1, All invited

Actinide-Specific Sequestering Agents 1

David K. Shuh (LBNL), Kenneth N. Raymond (Univ ofCalifornia, Berkeley), Rebecca J. Abergel (LBNL), Polly

Chang (SRI International), Eleanor A. Blakely, Patricia Durbin-Heavey (LBNL)

Unexpected Covalency in the Actinide Dioxides 3

7?. L. Martin, Eve Bauer, A. K. Burrell, T. M. McCleskey, B. L. Scott, Q. Jia, T. Durakiewicz, J. J, Joyce, K. S.

Graham, S. Kozimor, S. R. Conradson, L. E, Roy (LANL), G. E, Scuseria (Rice Univ)

MONDAY, SEPTEMBER 20, 2010, 9:50 a.m.

Coordination ChemistrySession Chair. James Boncella (LANL)

Non-Aqueous Transuranic Coordination Chemistry 7

Andrew J. Gaunt, DavidD. Schnaars, Mary P. Neu, Brian L. Scott, Iain May, Sean D. Reilly (LANL), Trevor W.

Hayton (Univ ofCalifornia, Santa Barbara), Nikolas Kaltsoyannis, Kieran I. M. Ingram (University College,London), Enrique R. Batista (LANL), James A. Ibers (Northwestern Univ), Dean R. Peterman (INL), Stosh A.

Kozimor, James M. Boncella, Alejandro E. Enriquez (LANL)

Quantifying Covalency in Molecular Actinide Complexes from Th to Cm 9

Nikolas Kaltsoyannis, Matthew J. Tassell (University College, London)

Periodicity Across the Actinide Series: Coupling Structural and Solution Chemistry 11

RichardE. Wilson (ANL), invited

Synthesis ofa Nitrido-Substituted Analogue of the Uranyl Ion, [N=U=0]+ 13

Skye Fortier, Guang Wu, Trevor Hayton (Univ ofCalifornia, Santa Barbara)

Condensed-Matter Physics—ISession Chair: Eric Bauer (LANL)

Electronic Structure and Adaptive 5f Character in Plutonium Materials 17

J. J. Joyce, T. Durakiewicz, K. S. Graham, E. D. Bauer, J. X. Zhu, R. L. Martin, J. M. Wills, L. E. Roy, J. N.

Mitchell, D. P. Moore, J, A. Kennison, T. M. McCleskey, A. K. Burrell, E, Bauer, Q. Jia (LANL), G. E. Scuseria

(Rice Univ), invited

Pu and its Neighbours - A Photoemission Study of the Electronic Structure ofActinides 19

Thomas Gouder (European Commission, JRC), invited

Resonant Inverse Photoelectron Spectroscopy of the Oxides of Uranium and Cerium 20

J. G. Tobin, S.-WYu, B. W. Chung (LLNL), G. D. Waddill (UMR), invited

A Minimal Model for the Energetics ofPu 22

Chris Marianetti (Columbia Univ)

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MONDAY, SEPTEMBER 20,2010,1:30 P.M.

Plenary Session—2, All invited

Colloid Facilitated Migration of Radionuclides and Evolution of their Speciation at the Mayak Site 25

S". N. Kalmykov (Moscow State Univ), B. F. Myasoedov, A. P. Novikov (RAS), O. N. Batuk (Moscow State

Univ/LANL)

Multiple Heating Effects on the Cyclic Expansion of 5-Pu Alloys: A Model of Gas Pore Formation

in Molten Eutectics 26

L, F, Timofeeva (A. A. Bochvar High-Technology Research Institute ofInorganic Materials, VNIINM)

MONDAY, SEPTEMBER 20,2010,3:00 P.M.

Environmental ChemistrySession Chairs: Mary Neu (LANL), Stepan Kalmykov (LomonosovMoscow State U.)

Plutonium Containing Particles in the Environment 31

Brit Salbu (Norwegian University ofLife Sciences), Koen Janssens (University ofAntwerp), Ole Christian hind

(Norwegian University ofLife Sciences), Wout De Nolf(University ofAntwerp), invited

Plutonium Oxidation State Distribution in Anoxic Groundwater 33

Donald T. Reed, Juliet S. Swanson, David Ams, Hnin Khaing (LANL), invited

Subsurface Mobile Plutonium Speciation: Sampling Artifacts for Groundwater Colloids 35

Daniel I. Kaplan (SRNL), Ken O. Buesseler (Woods Hole Oceanographic Institution), invited

Plutonium Redox Behavior in Aqueous Solutions and on Nanocrystalline Iron Phases 37

D. Fellhauer (European Commission, JRC/Univ ofHeidelberg), R. Kirsch (FZD/LGIT), M. Altmaier, V. Neck

(KIT), A. C. Scheinost (FID), T. Wiss (European Commission, JRC), L. Charlet (LGIT- UJF), Th. Fanghdnel(European Commission, JRC/Univ ofHeidelberg)

Plutonium Sorption at the Muscovite-Electrolyte Interface Studied by X-Ray Reflectivity 39

M. Schmidt, P. Fenter, R. E. Wilson, S. S. Lee, L. Soderholm (ANL)

Materials Science—I

Session Chair: Robert Hanrahan (NNSA)

Structural and Phase Transformations, Spall and Shear Fractures in the Sphere of UnalloyedPlutonium under Explosive Loading 43

E. A. Kozlov, B. V. Litvinov (RFNC— E.I.Zababakhin Research Institute ofTechnical Physics), L. F. Timofeeva(Bochvar Research Institute ofNonorganic Materials)

MARS: A Synchrotron Beamline for the Characterization of Radioactive Matter. Application to

Diamond Anvil Cell Measurements 47

M. Souilah (CEA), B. Sitaud (Synchrotron SOLEIL), F. Delaunay, Ph. Faure (CEA)

New Investigation of the Pressure and Temperature Phase Diagram of a Delta Plutonium Alloy 48

Ph. Faure, F. Delaunay (CEA)

Kinetics ofDislocations During Plastic Deformation of 8-Plutonium 50

V. A. Pushkov, D. V. Tsisar (RFNC- VNIIEF)

vlil

Stability ofthe Brannerite Structure with Actinides at High Pressures

F. X. Zhang, M. Lang, R. C. Ewing (Univ ofMichigan)

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Monday, September 20, 2010, 7:30-9:30 p.m.

Poster Session—I

Session Chairs: Leilani Conradson (LANL), Carson Hobart (Univ ofCalifornia Irvine)

Detection and Analysis

The Features of OH Radicals Formation in Laser-Induced Excitation of Samarium Hydroxide and

Multi-step Chemiluminescence Excitation for Trace Analysis in Solutions 59

N G. Gorshkov, I. N. Izosimov, V. A. Mikhalev, N. G. Firsin (V.G.Khlopin Radium Inst), V. A. Taria, 1.1. Shantir,

N. N. Zybina (A.M.Nikiforov All-Russian Center ofEmergency and Radiation Medicine EMERCOM)

Diffuse Reflectance Spectroscopy ofPlutonium Metal, Alloys, and Compounds 61

David E. Hobart, Dominic S. Peterson, Stosh A. Kozimor, Kevin S. Boland, Marianne P. Wilkerson, Jeremy N.

Mitchell (LANL)

Chemistry and Metallurgy Research Replacement (CMRR) Project in Support of Analytical

Chemistry and Material Characterization Capabilities at Los Alamos National Laboratory 63

Amy S. Wong, Tim O. Nelson, Denise L. Thronas, S. Mark Dinehart, Mardoceo Vialpando (LANL)

System for Angle Resolve Photoemission Spectroscopy ofPlutonium Materials 65

Kevin S. Graham, John J. Joyce, Tomasz Durakiewicz (LANL)

Rapid Prototyping of Containment for Plutonium Samples for the Purposes ofX-Ray Fluorescence

and X-Ray Diffraction Studies Outside a Glovebox 67

C. Puxley (AWE)

Pre-Concentration and Analysis ofPlutonium from Solutions Using Polymer Ligand Films 68

Dominic S. Peterson, Edward R. Gonzales, Crystal L. Tulley, Jaclyn A. Herrera, Claudine E. Armenia (LANL)

Actinide Analytical Chemistry Capabilities at Los Alamos National Laboratory—Plutonium Center

ofExcellence 70

Amy S. Wong (LANL)

Near-Infrared Photoluminescence and Ligand K-Edge X-Ray Absorption Spectroscopies of

An02Cl42" (An: U, Np, Pu) 72

Marianne P. Wilkerson, Enrique R. Batista, John M. Berg, Kevin S. Boland, David L. Clark, Steven D. Conradson,

Stosh A. Kozimor, Richard L. Martin, Brian L. Scott, Gregory L. Wagner (LANL), Ping Yang (PNNL)

TRU Waste Reduction by Using Gas Pressurized Extraction Chromatography for Pu Removal 74

NingXu, Alexander Martinez, David L. Gallimore (LANL)

Environmental Chemistry

Chemistry of An(III,IV)/Ln(IlI) eigencolloids: Complexation Reactions with Inorganic and Organic

Ligands 79

X. Gaona (Amphos 21/KIT), M. Grive, V. Montoya, E. Colds (Amphos 21), M. Altmaier (KIT), L. Duro (Amphos

21)

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Micro-XRF/XAS/XRD Investigations on Actinide Containing Waste Materials 81R. Ddehn, D. Popov, X. Gaona, E. Wieland (Scherrer Inst)

Actinide Sorption by Cementitious Materials: The Case of Neptunium 83./. Tits, X. Gaona, R. Daehn, E. Wieland (Scherrer Inst)

The Transformations of Uranium Oxides under Repository Conditions 85T. V. Kazakovskaya, V. I Shapovalov (RFNC- VNIIEF), E. V, Zakharova (MS)

THEREDA: Thermodynamic Data for Waste Management Assessment 87M. Altmaier, C. Bube (KIT), V. Brendler (FZD), C. M. Marquardt (KIT), H. C. Moog (Gesellschaft fur Anlagen-und Reaktorsicherheit), V. Neck (KIT), A. Richter (FZD), T. Scharge (Gesellschaftfur Anlagen- und

Reaklorsicherheit), W. Voigt (TU Bergakademie Freiberg), S. Wilhelm (AF-Colenco Ltd.), G. Wollmann (TUBergakademie Freiberg)

Characterization ofU and Pu Oxide Particles Formed During the Accident at the ChernobylNPP

by Various Spectroscopic and Microscopic Techniques 89

O. N. Batuk (Moscow State Univ/LANL), I. E. Vlasova (Moscow State Univ), A. L, Costello (LANL), S. N.

Kalmykov (Moscow State Univ), S. D. Conradson, M. P. Wilkerson, D. L. Clark (LANL)

Plutonium in the WD?P Environment: Its Detection, Distribution and Behavior 90

P. Thakur, T. B. Kirchner, J. L. Conca (Carlsbad Environmental Monitoring & Research Center)

Plutonium Behavior in the Sedimentary Rocks of the Deep Disposal ofLiquid Nuclear Wastes 93

/. E. Vlasova (Moscow State Univ), E. V. Zakharova, A. G. Volkova (Frumkin IPCE), St. N. Kalmykov (MoscowState Univ)

Neptunium-237 Concentrations in Groundwater from Nevada Test Site Wells 94

Ruth M. Tinnacher, Pihong Zhao, Ross W. Williams, Mavrik Zavarin, Annie B. Kersting (LLNL)

Understanding Uranyl Adsorption at the Water-Mineral Interface: A Theoretical Approach 96

Ping Yang, Eric J. Bylaska, Wibe A. De Jong (PNNL)

Plutonium Speciation and Solubility in the WD?P 98

Donald T. Reed, Marian Borkowski, Jean-Francois Lucchini, Michael K. Richmann (LANL)

Pu Sorption to Goethite at Micromolar to Attomolar Concentrations 100

P. Zhao, M. Zavarin, S. Tumey, R. Williams, Z. Dai, R. Kips, A. B. Kersting (LLNL)

Coordination Chemistry

Structural and Electronic Trends Observed in Actinide Metal-Metal Bonds 105

Stefan G. Minasian, Jamin L. Krinsky, John Arnold (Univ ofCalifornia, Berkeley)

A Spectroscopic Technique to Explore Covalency in Actinide-Oxygen Bonds 107

Stefan G. Minasian (LANL/LBNL), StoshA. Kozimor (LANL), David K. Shuh (LBNL)

Adventures in Uranium-Element Multiple Bonding: Uranium Mono-, Bis- and Tris(imido)

Complexes 109

James M. Boncella, Robert E. Jilek, Liam P. Spencer, Brian L. Scott (LANL)

Oxo Functionalization and Reduction of Pentavalent Uranyl 111

David D. Schnaars (Univ ofCalifornia, Santa Barbara/LANL), Guang Wu (Univ ofCalifornia, Santa Barbara),AndrewJ. Gaunt (LANL), Trevor Hayton (Univ ofCalifornia, Santa Barbara)

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Adjustment of the Paramagnetic Content ofthe Actinide Carbonate Trimers. Structural

Characterization by 13C-NMR, Raman, and Visible Spectroscopy 113

Bruce McNamara, Sergei Sinkov, Lucas Sweet, Lanee Snow, Herman Cho, Shane Peper (PNNL)

Unexpected Covalency from Actinide 5f Orbital Interactions (An = Th, U, Np, Pu) Determined

from Chlorine K-Edge X-Ray Absorption Spectroscopy and Electronic Structure Theory 115

D. L. Clark, E. R. Batista, K. S. Boland (LANL), J. A. Bradley (Univ of Washington), S. D. Conradson (LANL), N.

Kaltsoyannis (University College, London), S. A. Kozimor, R. L. Martin (LANL), G. T. Seidler (Univ ofWashington), M. J, Tassell (University College, London), M. P. Wilkerson (LANL), P. Yang (LANL/PNNL)

Covalency Trends for d- and /-Element Metallocene Bichlorides Determined from ChlorineK-

Edge X-Ray Absorption Spectroscopy and Time Dependent-Density Functional Theory 117

Stosh A. Kozimor (LANL), Ping Yang (LANL/PNNL), Enrique R, Batista, Kevin S. Boland, CarolJ. Burns, David

L. Clark, Steven D. Conradson, Richard L. Martin, Marianne P. Wilkerson, Laura E. Wolfsberg (LANL)

Convenient Materials ofUC13 for Preparing Trivalent Uranium Complexes 119

S. Ohta, T. Yamamura, K. Shirasaki, I. Satoh, T. Shikama (Tohoku Univ)

Solutions and Gas Phase Chemistry

Aqueous Speciation and Solubility of Np(WVT) in Hyperalkaline Systems 123

X. Gaona (Scherrer Institut/KIT), M. Altmaier (KIT), V. Petrov (Moscow State Univ), D. Fellhauer (KIT/Institutefor Transuranium Elements/Univ ofHeidelberg), J. Tits, E. Wieland (Scherrer Institut), K. Dardenne (KIT), Th.

Fanghanel (Institutefor Transuranium Elements/Univ ofHeidelberg)

Polymerization Processes of Pu(V) in Chloride Solutions 125

Michael Steppert, Clemens Walther, Jdrg Rothe, Mirek Icker (KIT)

Recent Results in Aqueous Nitrate Dissolution at Los Alamos 126

Mary Ann Stroud, Judy Roybal, Marvin K. Romero, Aquilino Valdez, Lia Brodnax, Yvonne Martinez, Tom Ricketts

(LANL)

Np(V) Reduction by Humic Acids—Impact of Sulfur Functionalities of Humic Acids 127

K. Schmeide, S. Sachs, G. Bernhard (FZD)

Reduction Kinetics ofNp(V) in Non-Complexing Aqueous Systems at pH 5 -10 128

D. Fellhauer (European Commission, JRC/Univ ofHeidelberg), M. Altmaier, V. Neck (KIT), J. Runke (Univ ofHeidelberg/KIT), Th. Fanghanel (European Commission, JRC/Univ ofHeidelberg)

Rapid and Selective Electrocatalytic Reduction of Np02+ to Np4+ by Electrolysis at a Platinized

Electrode 130

Yoshihiro Kitatsuji, Takaumi Kimura (JAEA), Sorin Kihara (Kyoto Instfor Interesting Chemistry)

Speciation Studies of Tetravalent Protactinium in Aqueous Solution 132

N. L. Banik, C. M. Marquardt, C. Walther, J. Rothe, M. A. Denecke, R. Klenze (KIT)

UV-Vis and EXAFS Spectroscopy of the Plutonium (TV) Nitrate System 134

Nicholas Smith, Ken Czerwinski (UNLV)

The Structure of Trivalent/-Element Ions Gd3+ and Bk3* in Aqueous Solutions Association and

Hydration Study versus pH 136

Besbes Rafik (Institut preparatoire aux etudes d'ingenieurs de Sfax/IPEST) Ouerfelli Noureddine (Faculte des

Sciences de Tunis), Latrous Habib (IPEST)

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NMR Studies of the Complexation of Gluconic Acid with Ca2+, La3* and Th4+ in Aqueous Solutions 138

Z. Zhang, K. A. Fitzgerald, G. Helms, S. B. Clark (Washington State Univ)

Aqueous An(III-VII) Solvation and Solvent Exchange Mechanisms 140

Alex Samuels, Arun Subramanian, Aurora E. Clark (Washington State Univ)

Age Determination of 244Cm Solutions by Alpha and Mass Spectrometry 141

H. Kurosaki (Washington State Univ), J. R. Cadieux (SRNL), S. B. Clark (Washington State Univ)

Compounds and Complexes

Crystal Structures and Physico-Chemical Properties of Actinide Carboxyphosphonates 145

Pius 0. Adelani, Allen G. Oliver, Thomas E. Albrecht-Schmitt (Univ ofNotre Dame)

Actinide Valences in Zirconia and Pyrochlore-Structured Titanates 147

Yingjie Zhang, Eric R. Vance (ANSTO)

Thermodynamic Characterization of Hydroxypyridonate Lanthanide and Actinide Complexes 149

Manuel Sturzbecher-Hoehne, Clara HgPak Leung, Anthony D'Aleo, David K. Shuh, Kenneth N. Raymond,Rebecca J. Abergel (LBNL)

Cubic and Rhombohedral Heterobimetallic Networks Constructed from Uranium, Transition

Metals, and Phosphonoacetate 151

Andrea N. Alsobrook (Univ ofNotre Dame), Evgeny V. Alekseev, WulfDepmeier (Univ ofKiel), Thomas E.

Albrecht-Schmitt (Univ ofNotre Dame)

Comparisons of Pu(IV) and Ce(IV) Diphosphonates 153

Juan Diwu, Anna-Gay D. Nelson, Shuao Wang (Univ ofNotre Dame), Charles F. Campana (Bruker AXS),Thomas E. Albrecht-Schmitt (Univ ofNotre Dame)

New Insights into Actinide (U, Np, Pu) Borate Materials Relevant to Nuclear Waste Storage 155

Shuao Wang, Evgeny V. Alekseev, Thomas E. Albrecht-Schmitt (Univ ofNotre Dame)

Metallic Sodium Assisted Syntheses ofActinide Nitrides 157

Daniel B. Rego, Thomas Hartmann, Steven D. Conradson, Sean R. Midcahy, Kenneth R. Czerwinski

(UNLV/LANL)

TUESDAY, SEPTEMBER 21,2010, 8:00 A.M.

Plenary Session—3, All invited

NMR Studies of Transuranium Dioxides 161

Yo Tokunaga, Tsuyoshi Nishi, ShinsakuKam.be (JAEA)

TUESDAY, SEPTEMBER 21,2010, 9:30 a.m.

Fuel Cycle—ISession Chairs: Gordon Jarvinen (LANL), P. R. V. Rao (IGCAR)

Compelling Reasons for Near-Term Deployment of Plutonium Recycle from Used Nuclear Fuels—

A Systems Analysis Study 165

E. D. Collins, G. D. Del Cul, K. A. Williams (ORNL)

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Evaluation of Promising Extractants for Actinide Partitioning 167

V. K. Manchanda (BARC), invited

Plutonium Extraction Chemistry in Diglycolamide Based Solvents for the GANEX Process 168

Robin Taylor, Fiona McLachlan, Mark Sarsfield (NNL)

Plutonium Nuclear Data Research at LANSCE 170

F. Tovesson, R. C. Haight, R. O. Nelson (LANL)

Condensed-Matter Physics—II, AH invited

Session Chairs: John Joyce (LANL), Jian-Xin Zhu (LANL)

Magnetic Fluctuations and Unconventional Superconductivity in Actinide Compounds 175

Shinsaku Kambe, Yo Tokunaga, Hironori Sakai (JAEA)

Optical Pump-Probe Study of the Heavy-Fermion Superconductor PuCoGa5 176

Diyar Talbayev (Yale Univ)

Composite Pairing in a Mixed Valent Two Channel Anderson Model 178

Rebecca Flint, Andriy Nevidomskyy, Piers Coleman (Rutgers Univ)

The Electronic Structure of Multiple Phases in Cerium-Plutonium Superlattices 180

Sven P. Rudin (LANL)

Actinide Theory Examined Through an Experimentalist's Eyes 182

Kevin T. Moore (LLNL)

TUESDAY, SEPTEMBER 21,2010,1:20 P.M.

Plenary Session—4, All invited

Progress and Prospects for Actinide Recycling Processes 185

Dominique Warin, Pascal Baron, Clement Hill, Christine Rostaing (CEA)

Time-Dependent Processes in Pu Alloys: From Femtoseconds to Teraseconds 187

Adam J. Schwartz (LLNL)

TUESDAY, SEPTEMBER 21,2010,2:50 p.m.

Fuel Cycle—HSession Chairs: John Miller (DOE), Sara Scott (LANL)

ChemistryR & D for Fast Reactor Fuel Cycle 191

P.R. Vasudeva Rao (Indira Gandhi Centrefor Atomic Rsch), invited

Study of the Carbothermic Reduction Mechanisms of U02, Pu02 and (U,Pu)02 (co-Grinded or

Solid Solution) 193

A. Handschuh, S. Dubois, C. Duguay, S. Vaudez, G. Leturcq, S. Granjean (CEA), F. Abraham (UCCS)

Actinide Partitioning in Peroxide-Carbonate Solutions 195

George S. Goff, Sean D. Reilly, Wolfgang Runde (LANL)

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The Solvent Extraction ofPlutonium(VT) from Carbonate Solutions 197

E. O. Nazarov, A. M. Safiulina (MS), S. I. Stepanov (MUCTR), A. M. Chekmarev (RAS)

Materials Science—H

Session Chairs: Wendy Cieslak (LANL)

Direct MD Modeling of Self-Irradiation Effects on Mechanical Properties and Phase Stability of

Plutonium 201

V. V. Dremov, F. A. Sapozhnikov, M. A. Vorobyova, A. V. Karavaev, G. V. Ionov (RFNC), invited

Phase Ordering and Stacking Fault Energies in Plutonium Metal 202

Steven M. Valone, Sven P. Rudin (LANL), Michael I Baskes (Univ of California, San Diego)

An Overview ofIsothermal Conditioning in Pu-1.9 at% Ga Alloys 204

J. R. Jeffries, K. J. M. Blobaum, M. A. Wall, A. J. Schwartz (LLNL)

Evidence for Hydrogen Induced Vacancies in Plutonium Metal 206

Scott Richmond, Joseph Anderson, JeffAbes (LANL)

Measurement and Prediction of Swelling on Plutonium Alloys 208

B. Oudot, B. Ravat, F. Delaunay (CEA)

WEDNESDAY, SEPTEMBER 22,2010, 8:00 A.M.

Plenary Session—5, All invited

Safeguarding Against UnconventionalWeapons 211

Vahid Majidi, John Cardinal (Federal Bureau ofInvestigation)

Ab Initio Studies of Atomic and Molecular Adsorptions on Plutonium Surfaces 212

AsokK. Ray (Univ of Texas at Arlington)

WEDNESDAY, SEPTEMBER 22,2010, 9:30 a.m.

Detection and Analysis—ISession Chairs: David Hobart (LANL), Jean Fuger (Univ ofLiege)

Plutonium Isotopic Analysis Without Radiochemical Separation 217

P. L. Thompson (AWE)

Electrospray Ionization and Gas-Phase Chemistry of F-Element Complexes 218

John K. Gibson, Travis H. Bray, Philip X. Rutkowski, Daniel Rios, Roy Copping, David K. Shuh (LBNL), Maria C.

Michelini (Universita Delia Calabria), Joaquim Margalo (Instituto Tecnologico e Nuclear), invited

Advanced X-ray Absorption/Emission Spectroscopic Tool for Actinide Speciation 220

T. Vitova, M. A. Denecke, M. Loble, K. Dardenne, J. Rothe, H. Geckeis (KIT), K. Kvashnina (ESRF), J. Vegelius,S. M. Butorin (Uppsala Univ), G. Nocton, M. Mazzanti (CEA), A. Seibert, R. Caciuffo (European Commission,

JRC), R. G. Denning (Oxford Univ)

Raman Spectroscopy Characterization ofActinide Oxides (Ui.yPuy)02 222

C. Jegou, R. Caraballo, S. Peuget, D. Roudil, L. Desgranges, M. Mangin (CEA)

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Application of Absorption Spectroscopy to Actinide Process Analysis and Monitoring 224

Robert Lascola, Vinay Sharma (SRNL), invited

Surface Science and Corrosion

Session Chairs: John Ward (LANL) and Catherine Treimany (CEA Valduc)

New Insights into the Oxidation of Plutonium at Room Temperature 229

D. L. Pugmire, H. G. Garcia Flores (LANL/Univ ofNebraska), D. P. Moore, A. L. Broach (Univ ofNebraska), P.

Roussel (A WE)

Derivation of Interatomic Potentials for Pu02 and the Calculation of Lattice and Defect Properties 231

MarkS. D. Read (AWE), invited

Atomic Scale Mechanism of Plutonium Corrosion 232

Steven D. Conradson, Alison L. Costello (LANL), Francisco J. Espinosa-Faller (Centro-Marista de Estudios

Superiores), David E. Hobart, Jeremy N. Mitchell, Patrick T. Martinez, Marianne P. Wilkerson (LANL), invited

A Theoretical/Experimental Approach to Understanding the Interactions of H with Pu Metal 234

Christopher Taylor, Dave Moore (LANL)

The Role of Pu203 and Defects in the Pu02 Layer in The Plutonium Hydriding Process 236

Long N. Dinh, Cheng K. Saw, Patrick G. Allen, William McLean II (LLNL)

WEDNESDAY, SEPTEMBER 22,2010,1:20 P.M.

Plenary Session—6, All invited

Measurements at the Crime Scene and in the Laboratory—Challenges and Opportunities 241

M. Wallenius, V. Kleinrath, A. Berlizov, K. Mayer, M. Hedberg, Z. Varga, T. Wiss, E. Zuleger (EC, JRC, ITU)

Multi-Phase Thermal and Elastic Properties of Pu Metal from First-Principles Theory 242

Per Soderlind (LLNL)

WEDNESDAY, SEPTEMBER 22,2010, 2:50 p.m.

Detection and Analysis—HSession Chair: Dom Peterson (LANL), Heather Erpenbeck (LANL)

ANew NMR Facility for Solid State Actinide Research at the Institute for Transuranium Elements 245

O. Pauvert, J. Somers, R. Caciuffo, T. Fanghdnel (European Commission, JRC), G. A. Ummarino (Politecnico di

Torino), H. Chudo, S. Kambe (JAEA), invited

Characterisation ofUranium Ore Concentrates to Identify Origin 246

T. J. Piper, K. A. Duff(AWE), invited

Determining Plutonium Mass in Spent Fuel with Non-Destructive Assay Techniques 248

Melissa A. Schear, Stephen J. Tobin (LANL)

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Condensed-Matter Physics—HISession Chair: Jeremy Mitchell (LANL)

Competition of Charge Density Waves and Superconductivity in Uranium 251

/. Bouchet, S. Raymond (CEA), M. Le Tacon, G. Garbarino, M. Hoesch, M. Krisch (ESRF Grenoble), J. C.

Lashley, R. C. Albers (LANL), J-P Rueff (Synchrotron Soleil),G. Lander (ILL Grenoble)

Elastic Moduli, Debye-Waller and Electron Localization in Plutonium 252

Victor R. Fanelli, Albert Migliori, Yoko Suzuki, Jonathan B. Betts (LANL), invited

From Low to High Density Metals, Behavior ofthe Shear Modulus Versus Temperature 253

Marie-Helene Nadal, Ludivine Bourgeois(CEA), invited

WEDNESDAY, SEPTEMBER 22,2010, 5:00-7:00 P.M.

Poster Session—II

Session Chairs: Constance Soderberg (LANL) and John Auxier II (LANL)

Surface Science and Corrosion

Influence of Pu02 Surface Layer Condition on Release of Gas Products as a Result of Sorbed Water

Radiolysis 259

A. A. Karnozov, T. B. Karnozova (JSC VNIINM)

On Issue of Confining Stage of Uranium Metal Oxidation in Water Vapour 260

A. A. Karnozov, T. B. Karnozova, V. K. Orlov (JSC VNIINM)

Moisture and Gas Production in Storage Containers of Plutonium Oxide 262

J. M. Berg, J, A. Narlesky, D. K. Veirs, L. A. Worl (LANL), J. M. Duffey, P. M. Almond (SRNL)

Plutonium Speciation at Solid/Gas and Liquid/Solid Interfaces 264

J. Douglas Fan (LANL)

Cleaning Effectiveness Study of FC-43 Used as a Plutonium Density Fluid 266

K. M. Dziewinska, J. J. Dziewinski, L. B. Davenhall, K, Hakonson, D. Kelly (LANL)

Measurement ofthe Auger Parameter for Cerium in Oxidizing and Reducing Environments 268

A. J. Nelson, T. W. Trelenberg, D. K. Castro, J. J. Welch, P. G. Allen, W. McLean (LLNL)

Transformation ofPu Surface Chemistry: An X-Ray Photoelectron Spectroscopy and SecondaryIon Mass Spectrometry Study 270

A. J. Nelson, P. G. Allen, W. McLean (LLNL), P. Roussel, P. Morrall, D. A. Geeson (AWE)

Hydrogen Generation and Reduced Pressure in Plutonium-Bearing Storage Containers 272

P. M. Almond, J. M. Duffey, N. J. Bridges (SRNL), B. V. Nguyen, L. E. Traver, M. J. Arnold, R. R. Livingston

(SRS), G. F. Kessinger (SRNL)

Effect of Moisture Absorption on Plutonium Oxide Storage Container Relative Humidity 274

J, E. Narlesky, J. M, Berg, D. M, Harradine, M. A. Martinez, D. K. Veirs, L. A. Worl (LANL)

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Orientation Imaging Microscopy of Plutonium: Grain Structure and Oxidation 276

David P. Moore, Amanda L. Broach, DavidL. Pugmire, Harry G. Garcia Flores (LANL), Paul Roussel (A WE

Aldermaston)

Relative Corrosion Resistance of 304 and 316 Stainless Steel to Plutonium Residues 277

D. Kirk Veirs, Laura A. Worl, Scott Lillard (LANL)

Materials Science

Acoustic Measurements of the Elastic Properties and Quality of Plutonium and Uranium Based

Oxide Fuels 281

TarikA. Saleh, Stephen P. Willson, Erik P. Luther, Douglas J. Safarik, Timothy J. Ulrich, W. Sue Duncan, Darrin

D. Byler (LANL)

Phase Transformation in 8-Pu- Alloys at Low Temperature 282

B. Ravat, B. Oudot, F. Delaunay, J. Farre (CEA)

Recent Efforts in Quantifying Heterogeneity 284

Adam M. Farrow, Charles C. Davis, Rollin E. Lakis (LANL)

Annealing of Aged Plutonium 285

Jeremy N. Mitchell, Adam M. Farrow, Franz J. Freibert, Daniel S. Schwartz (LANL)

Phase Transitions of Unalloyed Pu in Shock Waves 287

E. A. Kozlov, V. M. Elkin (RFNC), L. F. Timofeeva (Bochvar Research Institute ofNonorganic Materials)

Evidence of Abrupt Lattice Expansion in 5-Plutonium Due to Self-Irradiation During the AgingProcess 290

Cheng K. Saw, Mark A. Wall, Brandon W. Chung (LLNL)

Compatibility Assessment of Replacement Fluids for Use in Plutonium Processing 292

S. O'Connell (AWE)

Specific Hydriding Rates of D-Plutonium 295

C. Kenney, R. Barker (A WE)

Plutonium Metal Density Reflects Changing Chemical Composition 297

Roberta N. Mulford (LANL)

Burst Transformations and Other Transformation Characteristics of Unalloyed Plutonium 299

F. J. Freibert, J. N. Mitchell, D. S. Schwartz, T. S. Saleh (LANL)

Neutron Diffraction Studies on Plutonium Alloys 301

TarikA. Saleh, Alice I. Smith, Thomas E. Proffen, FransR. Trouw, Jeremy N Mitchell (LANL)

Condensed-Matter Physics

Precision Elastic Moduli of Pure Alpha, Beta, Gamma Polycrystal Plutonium—Three Different

Metals 305

Albert Migliori, Yoko Suzuki, Victor R. Fanelli, J. B. Betts (LANL)

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Characterization of Point Defects in U02 by Positron Lifetime Spectroscopy: A First-Principles

Study 306

G. Jomard, M. Torrent (CEA, DAM, DIF)

Evolution ofElectrical Resistivity and Electronic Structure of Transuranium Metals Under

Pressure 308

Yu. Yu. Tsiovkin (Ural Federal Univ), A. V. Lukoyanov, A. 0. Shorikov (Ural Federal Univ/RAS), A. A. Povzner,

L. Yu. Tsiovkina, A. A. Dyachenko, V. B. Bystrushkin, M. V. Raybukhina (Ural Federal Univ), M. A. Korotin

(RAS), V. V. Dremov (RFNC), V. I. Anisimov (RAS)

Novel Band Renorinalization Mechanisms in f-Electron Systems 309

T. Durakiewicz, J. J. Joyce, E. D. Bauer, K. S. Graham (LANL), P. S. Riseborough (Temple Univ), P. M. Oppeneer

(Uppsala Univ)

Temperature and Concentration Dependencies ofElectrical Resistivity of Am-Pu Alloys at HighTemperature 310

Yu. Yu. Tsiovkin, A. A. Povzner, L. Yu. Tsiovkina (Ural Federal Univ), V. V. Dreymov (RFNC), L. R. Kabirova

(Ural Federal Univ), A. O. Shorikov (Ural Federal Univ/RAS), M. V. Raybukhina, A. A. Dyachenko, V. B.

Bystryshkin (Ural Federal Univ), A, V. Lykoyanov (Ural Federal Univ/RAS), A. N. Filanovich (Ural Federal Univ)

Plutonium Properties in Multiple Intermediate Valence Model 311

A. Mirmelstein, O. Kerbel (RFNC-VNIITF), E. Clementyev (RAS/Kurchatov Inst)

Atomistic Calculations of Fundamental Physical Properties of Uranium 312

Benjamin Good, Chaitanya Deo (Georgia Tech), MichaelBaskes (Univ ofCalifornia, San Diego)

Spin Fluctuations in Delta-Plutonium 314

V. P. Antropov, A. Solontsov (Ames Lab)

Complex Magnetic Order in PuSb2 Single Crystals 315

Eric D. Bauer, P. H. Tobash, J. N. Mitchell, J. A. Kennison, J. J. Joyce, T. Durakiewicz, B. L. Scott, J. L. Sarrao,

L. A. Morales, J. D. Thompson (LANL)

Physical Properties of the New Intermetallic Compound Pu2Ni3Si5 317

Paul H. Tobash, E. D. Bauer, F. Ronning, J. N. Mitchell, J. A. Kennison, B. L. Scott, J. D. Thompson (LANL)

Electron Phases of Solids and Compression-Induced Changes in Electron Structure ofActinides 319

B. A. Nadykto (RFNC-VN1IEF)

Fuel Cycle

Plutonium Rock-Like Oxide Fuel (ROXf) System, Their Once-Through Burning and Usage 323

AshrafElsayed Mohamed Mohamed (Brno Univ)

Pryochemical and Electrochemical Separations Studies on Plutonium 326

AshrafElsayed Mohamed Mohamed (Brno Univ)

Study of Americium and Plutonium Chemistry in Mixed OXide Fuel 327

Ph. Martin, R. Belin, A. C. Robisson, (CEA) A. C. Scheinost (FID)

Fabrication and Characterization on (U^m)02 Target for GEN(TV) Fast Reactor System 329

M. Vespa, M. Rini, J. Boshoven, S. Fourcaudot, P. Lajarge, S. Stohr, J. Somers (EC-JRC-ITU)

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Selective Adsorption of Trivalent Actinides to Carbon Materials

Masayuki Watanabe, Makoto Arisaka, Takaumi Kimura (JAEA)

330

The Use ofPlutonium and Micro-Hetero Structures in Novel Nuclear Reactors Modifies the Actual

Fuel Cycle 331

Liviu Popa-Simil (LAVMLLC)

Separation of Americium and Curium in Metal Nitrate and Nitric Acid Systems 333

Narek Gharibyan, RalfSudowe (UNLV)

Preparation and Characterization of N-Donor Extraction-Chromatography Resins for

Actinide/Lanthanide Separations 335

Christopher Klug, RalfSudowe (UNLV)

Fission Cross Sections of Plutonium Isotopes and Other Actinides at the Neutron Source GNEIS 337

A. B. Laptev (LANL), O.A. Shcherbakov, A.S. Vorobyev (PNPI), R.C. Haight (LANL)

Thermal Recovery Evaluation of Thermal Conductivity in Self-Irradiated MOX Pellet 339

Kyoichi Morimoto, Masato Kato (JAEA), Masahiro Ogasawara (Inspection Development Company)

Burn-Up Effect on MOX Fuel Thermal Conductivity 341

Yoshihisa Ikusawa, Kyoichi Morimoto, Takayuki Ozawa, Masato Kato (JAEA)

Model Compounds for MOx Fuel Dissolution Studies in Atalante Facility 343

Gilles Leturcq, Alasiair Magnaldo (CEA)

Dissolution Flowsheet for Digestion ofPu02-Bearing Residues 345

G. F, Kessinger (SRNL), R. R. Livingston (SRS), M. G. Bronikowski (SRNL)

Disproportionation ofNeptunium(V) in Tributyl Phosphate and A^TV-Dihexyloctanamide/w-Dodecane Media 347

P. N. Pathak Neelam Kumari, D. R. Prabhu, V. K. Manchanda (BARC)

Quantifying Fissile Content in Spent Fuel Using 252Cf Interrogation with Prompt Neutron

Detection 348

Jianwei Hu, Stephen J. Tobin, Stephen Croft (LANL), invited

Diglycolamides: Promising Extractants for Actinides 351

R. B. Gujar, S. A. Ansari, P. K. Mohapatra, V. K. Manchanda (BARC)

Transformation of Uranium Products from the Pyrometallurgical Processing of Used Nuclear Fuel 352

B. R. Westphal, K. C. Marsden, D. Vaden, J. C. Price, M. F. Simpson (INL)

Electronic Structure and the Energetics of Actinide Diffusion in U02 354

Jianwei Wang, Rodney C. Ewing, Udo Becker (Univ ofMichigan)

Thorium Fuel System and Plutonium's Contribution in Sustaining Nuclear Energy 356

Atnatiwos Zeleke Meshesha (ERPA), invited

Novel Polystyrene—TODGA Nano Composite Material for Am(m) Uptake 358

A. S. Patole, J. H. Ahn, T. H. Kim (Sungkyunkwan Univ), S. A. Ansari, P. K. Mohapatra (BARC), L. Hyemi(Sungkyunkwan Univ), V. K. Manchanda (BARC/Sungkyunkwan Univ)

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Magnetic Property of an02-ht Prepared by Hydrothermal Synthesis 359

T. Yamamura, S. Ohla, K. Shirasaki, I. Satoh, T. Shikama (Tohoku Univ)

Radiolysis and Radiation Damage

Incidental Neutron Irradiation and Color Center Generation in LiF Windows Used in Actinide

Shock Physics Experiments 363

F. J. Freibert, J. Gallegos, M. Ramos (LANL)

THURSDAY, SEPTEMBER 23, 2010, 8:00 A.M.

Plenary Session—7, All invited

Actinide Borates 367

Shuao Wang (Univ ofNotre Dame), Evgeny V. Alekseev (Univ ofKiel), Jie Ling (Univ ofNotre Dame), S.

Skanthakumar, L. Soderholm (ANL), WulfDepmeier (Univ ofKiel), Juan Diwu (Univ ofNotre Dame), William H.

Casey (Univ ofCalifornia-Davis), Brian L. Phillips (SUNY), Thomas E. Albrecht-Schmitt (Univ ofNotre Dame)

THURSDAY, SEPTEMBER 23,2010, 9:30 a.m.

Compounds and ComplexesSession Chairs: Thomas Albrecht-Schmidt (Univ ofNotre Dame) and Ken Czerwinski (UNLV)

Actinide Valences in Monazite and Xenotime 373

Eric R. Vance, Yingjie Zhang (ANSTO)

MeasuringO K-Edge Absorption Spectra Reliably Enough for Quantitative Analysis ofLight AtomBond Covalency 375

Joseph A. Bradley (LANL/Univ ofWashington), Stosh A. Kozimor (LANL), Gerald T. Seidler (Univ ofWashington)

Structure Determination of Actinide Complexes by Nuclear Magnetic Resonance Spectroscopy 377

Herman Cho, Wibe A. deJong, Andrew R. Felmy, ChuckZ. Soderquist (PNNL), invited

Raman Spectroscopy of Plutonium Dioxide and Related Materials 379

MarkJ. Sarsfield, Robin J. Taylor (National NuclearLab), invited

Radiolysis and Radiation DamageSession Chairs: Albert Migliori (LANL) and Lester Morss (DOE-OBES Retired)

Effect of Metal Oxide Impurities on Hydrogen Generation by a-Radiolysis 383

J. M. Duffey (SRNL), R. R. Livingston (SRS), R. A. Pierce, D. M. Missimer, P. M. Almond (SRNL)

Gas Evolution From Polypropylene Under the Effect of a-Radiolysis Due to Plutonium Dioxide 385

L. Venault, J, Vermeulen, J. Maurin, Ph. Moisy (CEA), S. Bouffard, Y. NGono-Ravache (GANIL), A. Dannoux, V.

Dauvois, S, Esnouf V. Martin (CEA)

Radiation Damage and 5f-Electron Localization of Plutonium Compounds: 5-Pu, PuGa3, and PuAl2 387

Yu Jiang, Corwin H. Booth (LBNL), Eric D. Bauer, Jeremy N. Mitchell, Steven M. Valone (LANL), Mark A. Wall,Patrick G. Allen (LLNL)

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Influence of Self-Irradiation on Kinetics of Stress Relaxation at Elastic Precursor Front in

Unalloyed Plutonium under Explosive Loading 388

E. A. Kozlov, V. I. Tarzhanov, I. V. Telichko (RFNC), invited

A Magnetic Study of Radiation Damage in PuCoGa5 390

S. K McCall, M. J. Fluss, B. W. Chung, P. G. Allen (LLNL), E. D. Bauer, J. N. Mitchell, L. A, Morales, J. L.

Sarrao (LANL)

THURSDAY, SEPTEMBER 23, 2010,1:20 P.M.

Solutions and Gas Phase ChemistrySession Chair: John Gibson (LBNL)

Plutonium Solubility and Solid Phase Stability under Reducing Conditions in MgCl2 Brines 395

M. Altmaier, V. Neck (KIT), B. Brendebach (KIT/Gesellschqftfur Anlagen- und Reaktorsicherheit), Th.

Fanghanel (Institute for Transuranium Elements/Univ ofHeidelberg)

The Role of Polynuclear Pu(IV) Hydroxide Complexes for Understanding Pu Redox Chemistry 397

Clemens Walther, Jdrg Rothe, Michael Steppert, Markus Fuss, Sebastian Buchner (KIT)

Redox Behaviour ofthe Pu(IV)/Pu(III) Couple in Nitric Acid - Pu(TV)-Nitrato Complexes

Speciation 399

X. Crozes, P. Moisy (CEA), G. Cole (ENSCP)

A Computational Study of the Reduction ofPu(TV) by Hydroxamic Acids 401

Helen Steele, Robin J. Taylor (National Nuclear Lab)

New Insight into the Stability ofDTPA Complexes of Trivalent Actinides 403

Sylvain Topin, Thomas Vercouter, Jean Aupiais, Nicolas Baglan (CEA), Claire he Naour, Mickael Mendes,Sehastien Leguay (CNRS), Manuel Miguirditchian, Philippe Moisy (CEA)

Plutonium Peroxycarbonate Solution Studies Underpinning Alkaline Separations Chemistry 405

Sean D. Reilly, George S. Goff Iain May, Wolfgang Runde (LANL)

Materials Science—DI

Session Chairs: Jeremy Mitchell (LANL), Adam Farrow (LANL)

The Impact of Heat Transfer Kinetics on Phase Transformation Kinetics in Plutonium Metal 409

B. A. Nadykto (RFNC-VNIIEF)

Large Volume Change Phase Transformations in Pu and Pu-Ga Alloys 411

Daniel S. Schwartz, Jeremy N. Mitchell (LANL), invited

In Situ X-Ray Diffraction Investigation of the Delta to Alpha-Prime Transformation in a Pu-Ga

Alloy 413

KerriJ. M. Blobaum, Jason R. Jeffries, MarkA. Wall, Adam J. Schwartz (LLNL)

Fabrication of Unalloyed Plutonium 415

D. R. Korzekwa, F. J. Freibert, P. J. Crawford, J. W. Gibbs, D. A. Korzekwa, R. M. Aikin, Jr. (LANL)

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Elastic and Mechanical Properties of Plutonium and Plutonium Alloys 417

TankA. Saleh, Adam M. Farrow, Franz J. Friebert, Albert Migliori, Jeremy N. Mitchell, Michael E. Bange(LANL), invited

Evolving Metallurgical Properties of Plutonium from Self-Irradiation 419

Brandon W. Chung, Kenneth E. Lema, David S. Hiromoto (LLNL)

Author Index 421

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