Meetings & Events

 

2014 MRS Spring Meeting Logo2014 MRS Spring Meeting & Exhibit

April 21-25, 2014 | San Francisco
Meeting Chairs: Jose A. Garrido, Sergei V. Kalinin, Edson R. Leite, David Parrillo, Molly Stevens


Symposium S : Actinides----Basic Science, Applications and Technology

2014-04-23   Show All Abstracts

Symposium Organizers

Per Soderlind, Lawrence Livermore National Laboratory
Albert Migliori, Los Alamos National Laboratory
Wayne Lukens, Lawrence Berkeley National Laboratory
Peter S. Riseborough, Temple University
Ladislav Havela, Charles University

Symposium Support

Lawrence Berkeley National Laboratory
Los Alamos National Laboratory
S3: Chemistry, Detector and Radiation Damage
Session Chairs
Kristina Kvashnina
Wednesday PM, April 23, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

2:30 AM - *S3.01
Dynamics of Actinide Complexes in Aqueous Solution

Raymond Atta-Fynn 1

1The University of Texas at Arlington Arlington USA

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3:00 AM - S3.02
Structure and Magnetic Properties of Hydrides Based on Uranium BCC Alloys

Ladislav Havela 1 Mykhaylo Paukov 1 Ilya Tkach 1 Zdenek Matej 1 N. T.H. Kim-Ngan 2 Alexander V. Andreev 3

1Charles University Prague 2 Czech Republic2Pedagogical University Cracow Poland3Academy of Sciences of the Czech Republic Prague 8 Czech Republic

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3:15 AM - S3.03
Theoretical Confirmation of Ga-stabilized Anti-ferromagnetism in Plutonium metal

Per Soderlind 1

1Lawrence Livermore National Laboratory Livermore USA

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3:30 AM - S3.04
Redox Response of Actinide Materials to Highly Ionizing Radiation

Cameron Lee Tracy 1 Maik Lang 2 3 Fuxiang Zhang 2 John McLain Pray 2 Dmitry Popov 4 Changyong Park 4 Christina Trautmann 5 6 Rodney Charles Ewing 2

1University of Michigan Ann Arbor USA2University of Michigan Ann Arbor USA3University of Tennessee Knoxville USA4Carnegie Institution of Washington Geophysical Laboratory Argonne USA5GSI Helmholtzzentrum famp;#252;r Schwerionenforschung Darmstadt Germany6Technische Universitamp;#228;t Darmstadt Darmstadt Germany

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3:45 AM - S3
BREAK

S4: Nuclear Technology and Materials
Session Chairs
Stefan Minasian
Wednesday PM, April 23, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

4:15 AM - S4.01
Computational Study of Energetics and Defect-Ordering Tendencies for Rare Earth Elements in Uranium Dioxide

Jonathan Solomon 1 Vitaly Alexandrov 1 2 Babak Sadigh 3 Alexandra Navrotsky 2 Mark Asta 1 2

1University of California, Berkeley Berkeley USA2University of California, Davis Davis USA3Lawrence Livermore National Laboratory Livermore USA

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4:30 AM - S4.02
Phase Transformation of U3O8 and Enhanced Structural Stability at Extreme Conditions

Fuxiang Zhang 1

1Univ Michigan Ann Arbor USA

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4:45 AM - S4.03
Investigation of Actinide Storage Mechanism in Yttrium Iron Garnet by Cerium Substitution

Liang Qi 1 Xiaofeng Guo 2 Alexandra Navrotsky 2 Mark Asta 1

1University of California, Berkeley Berkeley USA2University of California, Davis Davis USA

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5:00 AM - S4.04
Fabrication of Uranium Dioxide Microspheres by Classic and Novel Sol-Gel Processes

Andrzej Deptula 1 Marcin Brykala 1 Marcin Rogowski 1 Tomasz Smolinski 1 Tadeusz Olczak 1 Wieslawa Lada 1 Danuta Wawszczak 1 Patryk Wojtowicz 1 Andrzej Grzegorz Chmielewski 1 Kenneth Goretta 2

1Institute of Nuclear Chemistry and Technology Warsaw Poland2Argonne National Laboratory Argonne USA

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5:15 AM - S4.05
Nuclear Waste Immobilization into Structure of Zirconolite By Complex Sol Gel Process

Tomasz Marian Smolinski 1 Andrzej Deptula 1 Wieslawa Lada 1 Tadeusz Olczak 1 Andrzej Grzegorz Chmielewski 1 Fabio Zaza 2

1Institute of Nuclear Chemistry and Technology Warsaw Poland2ENEA-Casaccia Research Centre Rome Italy

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5:30 AM - S4.06
Uranium Oxide Films as a Reference Material for Nuclear Fuel Performance Studies

Igor Usov 1 Robert Dickerson 1 Patricia Dickerson 1 Darrin Byler 1 Kenneth McClellan 1

1Los Alamos National Laboratory Los Alamos USA

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S1: Theory: DFT/DMFT
Session Chairs
Per Soderlind
Wednesday AM, April 23, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

9:15 AM - S1
Opening by Per Soderlind and Wayne Lukens

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9:30 AM - *S1.01
Electronic Structure of Actinide and Lanthanide Systems from the Local Density Approximation to Dynamical Mean Field Theory

Olle Eriksson 1

1Uppsala University Uppsala Sweden

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10:00 AM - S1.02
The LDA+U and LDA+DMFT Study of Uranium Mononitride: from Nonmagnetic to Paramagnetic and Ferromagnetic

Wei wei Sun 1 2 Igor Di Marco 2 Pavel Korzhavyi 1

1KTH-Royal Institute of Technology Stockholm Sweden2Department of Physics and Astronomy, Materials Theory, Uppsala University Uppsala Sweden

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10:15 AM - *S1.03
High Pressure and Temperature Elasticity, Strength, and Equation-of-State for Actinide Metals from First-Principles Simulations

Christine J. Wu 1 Lin H. Yang 1 Kyle Caspersen 1 Amanuel Teweldeberhan 1 Per Soderlind 1

1Lawrence Livermore National Lab Livermore USA

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10:45 AM - S1.04
Adsorption of UF6 on Graphene Derivatives as a Possible Route to 2D Enrichment: A Computational Study

Sergei Manzhos 1 Yang Wei Koh 2 Kenneth Westerman 3

1National University of Singapore Singapore Singapore2Bioinformatics Institute, A*STAR Singapore Singapore3Tufts University Medford, MA USA

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11:00 AM - S1
BREAK

S2: Magnetism and Electron Correlation
Session Chairs
Olle Eriksson
Wednesday AM, April 23, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

11:30 AM - *S2.01
Spin Fluctuations and the Peak-Dip-Hump Feature in the Photoemission Spectrum of Actinides

Matthias J. Graf 1 Tanmoy Das 1 Jian-Xin Zhu 1

1Los Alamos National Laboratory Los Alamos USA

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12:00 PM - S2.02
Magnetic Nematicity in the Hidden Ordered Compound URu2Si2

Peter S Riseborough 1 S. G. Magalhaes 2 E. J Calegari 3

1Temple University Philadelphia USA2Universidade Federal Fluminense Niteroi Brazil3Universidade Federal Santa Maria Santa maria Brazil

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12:15 PM - *S2.03
The Lasting Mystery of Hidden Order in URu2Si2

Hiroshi Amitsuka 1

1Hokkaido University Sapporo Japan

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12:45 PM - S2.04
Non-Local Exchange-Correlation for Correlated Electrons Based on a Configuration Interaction Model

Fei Zhou 1 Vidvuds Ozolins 2

1LLNL Livermore USA2UCLA Los Angeles USA

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2014-04-24   Show All Abstracts

Symposium Organizers

Per Soderlind, Lawrence Livermore National Laboratory
Albert Migliori, Los Alamos National Laboratory
Wayne Lukens, Lawrence Berkeley National Laboratory
Peter S. Riseborough, Temple University
Ladislav Havela, Charles University

Symposium Support

Lawrence Berkeley National Laboratory
Los Alamos National Laboratory
S8: X-ray Spectroscopy
Session Chairs
Stosh Kozimor
Thursday PM, April 24, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

2:30 AM - *S8.01
Recent Progress in X-Ray Spectroscopy of Actinides

Kristina Kvashnina 1 S. M. Butorin 2 Pieter Glatzel 1

1European Synchrotron Radiation Facility Grenoble France2Uppsala University Uppsala Sweden

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3:00 AM - S8.02
An Absence of Chemical Sensitivity in the 4D and 5D X-Ray Absorption Spectroscopy of Uranium Compounds

J. G Tobin 1

1LLNL Livermore USA

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3:15 AM - S8.03
First Principles NEXAFS Simulations of N-Donor Uranyl Complexes

Das Pemmaraju 1 Roy Copping 1 Simon J Teat 1 Marcus Janousch 3 Tolek Tyliszczak 1 Andrew Canning 1 2 Niels Gronbech Jensen 1 2 David Shuh 1 David Prendergast 1

1Lawrence Berkeley National Lab Berkeley USA2University of California DAVIS USA3Paul Scherrer Institute Villigen Switzerland

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3:30 AM - S8.04
The Future of Actinide Science with Soft X-Ray Synchrotron Radiation

David Shuh 1 Stefan Minasian 1 Stosh Kozimor 2 Tolek Tyliszczak 2 Jinghua Guo 3 Sergei Butorin 4

1Lawrence Berkeley National Laboratory Berkeley USA2Los Alamos National Laboratory Berkeley USA3Lawrence Berkeley National Laboratory Berkeley USA4Uppsala University Uppsala Sweden

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3:45 AM - S8
Closing by Per Soderlind and Wayne Lukens

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S6: Condensed Matter - Plutonium
Session Chairs
Albert Migliori
Thursday AM, April 24, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

9:30 AM - *S6.01
Elastic Properties of Plutonium as a Function of Phase, Temperature and Alloy

Tarik A. Saleh 1 Adam M. Farrow 1 Timothy J. Ulrich 1 Franz J. Freibert 1 Albert Migliori 1

1Los Alamos National Laboratory Los Alamos USA

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10:00 AM - S6.02
Crystallographic and Thermal Analysis Study of the delta; harr; gamma; Transformation in Plutonium

Jeremy Neil Mitchell 1 Terence Mitchell 1 Daniel Schwartz 1 John Hirth 1

1Los Alamos National Laboratory Los Alamos USA

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10:15 AM - S6.03
Local Structural Evolution of Hydrogen Loaded Pu-7at.permil;Ga Alloys

Alice I. Smith 1 Katherine L. Page 2 Scott Richmond 1 Joan Siewenie 2 Tarik A. Saleh 1 Michael Ramos 1 Daniel S. Schwartz 1

1Los Alamos National Laboratory Los Alamos USA2Los Alamos National Laboratory Los Alamos USA

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10:30 AM - S6.04
Thermal Analysis of Pu6Fe Synthesized from Hydride Precursor

Daniel S Schwartz 1 Paul H Tobash 1 Scott Richmond 1

1Los Alamos National Laboratory Los Alamos USA

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10:45 AM - S6.05
Density Functional Theory Studies on Atomic Adsorptions on Ga Stabilized delta;-Pu (111) Surfaces

Sarah C. Hernandez 1 Christopher D. Taylor 2

1University of Texas at Arlington Arlington USA2Los Alamos National Laboratory Los Alamos USA

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11:00 AM - S6
BREAK

S7: Bonding and Chemistry
Session Chairs
David Shuh
Thursday AM, April 24, 2014
Marriott Marquis, Yerba Buena Level, Salon 12

11:30 AM - *S7.01
Recent Advances in the Low Oxidation State Chemistry of the Elements

William John Evans 1

1University of California of Irvine Irvine USA

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12:00 PM - S7.02
Soft X-Ray Investigations of Covalent Orbital Mixing in Lanthanide and Actinide Oxides

Stefan George Minasian 1 Enrique R Batista 3 Jason M Keith 3 Wayne W Lukens 1 Stosh A Kozimor 2 Richard L Martin 3 Dennis Nordlund 4 David K Shuh 1 Dimosthenis Sokaras 4 Tolek Tyliszczak 5 Tsu-Chein Weng 4

1Lawrence Berkeley Laboratory Berkeley USA2Los Alamos National Laboratory Los Alamos USA3Los Alamos National Laboratory Los Alamos USA4SLAC National Accelerator Facility Menlo Park USA5Lawrence Berkeley National Laboratory Berkeley USA

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12:15 PM - *S7.03
Covalency Trends in Actinides

Stosh Anthony Kozimor 1 Enrique R Batista 1 Matthias W Loeble 1 Jason M Keith 3 Richard L Martin 1 Stefan G Minasian 2 Angela C Olson 1 David K Shuh 2 Tolek Tyliszczak 2

1Los Alamos National Laboratory Los Alamos USA2Lawrence Berkeley National Laboratory Berkeley USA3Colgate University Hamilton USA

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12:45 PM - S7.04
Investigating The sigma;- and pi;-Iteractions Between U(V) and Halide, Alkoxide, Amide and Ketimide Ligands

Wayne Lukens 1 Trevor W Hayton 2 Norman M Edelstein 1 Nicola Magnani 1 Skye W Fortier 2 Lani A Seaman 2

1Lawrence Berkeley Natl Lab Berkeley USA2University of California Santa Barbara USA

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