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Materials Research atHigh Pressure

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Cambridge University Press978-1-107-40873-9 - Materials Research Society Symposium Proceedings: Volume 987: Materials Research at High PressureEditors: M. Riad Manaa, Alexander F. Goncharov, Russell J. Hemley and Roberto BiniFrontmatterMore information

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MATERIALS RESEARCH SOCIETYSYMPOSIUM PROCEEDINGS VOLUME 987

Materials Research atHigh Pressure

Symposium held November 27-28, 2006, Boston, Massachusetts, U.S.A.

EDITORS:

M. Riad ManaaLawrence Livermore National Laboratory

Livermore, California, U.S.A.

Alexander F. GoncharovCarnegie Institution of Washington

Washington, D.C., U.S.A.

Russell J. HemleyCarnegie Institution of Washington

Washington, D.C., U.S.A.

Roberto BiniChemistry Department and LENS

University of FlorenceFirenze, Italy

IM1R15IMaterials Research Society

Warrendale, Pennsylvania






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CONTENTS

Preface ix

Acknowledgments xi

Materials Research Society Symposium Proceedings xii

SYNTHESIS AND CHARACTERIZATION

* Synthesis and Characterization of Nitrides of Iridium andPalladium 3

Jonathan Crowhurst, Alexander Goncharov, Babak Sadigh,Joseph Zaug, Yue Meng, and Vitali Prakapenka

Computation of Temperature-Pressure Phase Diagrams ofHigh-Pressure Nitrides 11

Peter Kroll

New Ferromagnetic Nitrides, CaN and SrN, and Their "Recipe" 17Masaaki Geshi, Koichi Kusakabe, Hitose Nagara, andNaoshi Suzuki

Single-Crystals of a New Carbon Nitride Phase With all-sp3

Carbon 23Peter Kroll, Elizabetha Horvath-Bordon, Ralf Riedel,Paul F. McMillan, Peter van Aken, Gerhard Miehe,Peter Hoppe, and Reinhard Boehler

Does Osmium Carbide Exist? Ab initio Investigation 29M. Zemzemi, M. Hebbache, D. Zivkovic, and L. Stuparevic

Tape Casting Technique for Fabrication of Graded-DensityImpactors for Tailored Dynamic Compression 45

L. Peter Martin, Jeffrey H. Nguyen, Jeremy R. Patterson,Daniel Orlikowski, Palakkal P. Asoka-Kumar, andNeil C. Holmes

Bonding CVD Diamond to WC-Co by High Pressure-High Temperature Processing 51

Naira Maria Balzaretti, Altair Soria Pereira,Rafael Vieira Camerini, Sergio Ivan dos Santos,and Joao Alziro Herz da Jornada

* Invited Paper

v






Synthesis and Characterization of NanoCompositeSuperhard Materials 57

Yusheng Zhao, Duanwei He, Jiang Qian, andJianzhong Zhang

DISORDERED SYSTEMS

* Phase Separation and Solidification of FluidPhosphorus 73

Yoshinori Katayama, Yasuhiro Inamura,Hiroyuki Saitoh, and Wataru Utsumi

POSTER SESSION

Microstructure and Mechanical Behaviors of Nano-Polycrystalline Diamonds Synthesized by DirectConversion Sintering Under HPHT 81

Hitoshi Sumiya and Tetsuo Irifune

Chromium Impurity States in Pbi_xGexTe Alloys UnderPressure 87

Evgeny Skipetrov, Alexey Plastun, Boris Kovalev,Lyudmila Skipetrova, Tatyana Topchevskaya, andVasily Slyn'ko

High-Pressure Studies of the Rotor-Stator CompoundC60-Cubane 93

Bertil Sundqvist, Agnieszka Iwasiewicz-Wabnig,Eva Kovats, and Sandor Pekker

High Pressure and High Temperature Induced PolymericC60 Nanorods and Their Photoluminescence Properties 99

Bingbing Liu, Yuanyuan Hou, Lin Wang, Guangtian Zou,Agnieszka Iwasiewicz, and Bertil Sundqvist

Electroplated and Plasma Enhanced Magnetron SputteredTa and Cr Coatings for High Temperature and High PressureOperation 105

Sabrina L. Lee, Rong H. Wei, Mark Todaro, and Paul Cote

*Invited Paper

VI






High Pressure Structural Phase Transition and ElasticProperties of MgX (X = S, Se, Te) Semiconducting Compounds I l l

Dinesh Varshney, Netram Kaurav, Kamal Kumar Choudhary,R. Kinge, and R.K. Singh

DENSE MOLECULAR MATERIALS

Probing of Structure Factor of Water to 57 GPa and 1500 K 121Alexander F. Goncharov, Chrystele Sanloup, Nir Goldman,Jonathan C. Crowhurst, Lawrence E. Fried, Nicola Guignot,Mohamed Mezouar, and Yue Meng

High Pressure-High Temperature Reactions in Xenon-ChlorineSystem 127

Maddury Somayazulu, Steven Gramsch, Ho-Kwang Mao,and Russell Hemley

Pressure-Induced Phase Transformations in Li-BasedComplex Hydrides 133

Raja Chellappa, Dhanesh Chandra, Stephen Gramsch,Maddury Somayazulu, and Russell Hemley

Tight Binding Molecular Dynamic Simulation of PETNDecomposition at an Extreme Condition 139

Christine J. Wu, M. Riad Manaa, and Laurence E. Fried

PROPERTIES UNDEREXTREME CONDITIONS

Phase Transitions in Multiferroic BiFeO3 147Alexander G. Gavriliuk, Viktor Struzhkin, Igor S. Lyubutin,Ivan A. Trojan, Michael Y. Hu, and Paul Chow

Pressure Dependence of Electron Density Distribution ofFerroelectric KNbO3 Polymorphs by Maximum EntropyMethod (MEM) Using Single Crystal Diffraction Study 153

Takamitsu Yamanaka, Taku Okada, Yuki Nakamoto,andKenjiOhi

Synchrotron Mossbauer Spectroscopy and ResistivityStudies of Iron Oxide Under High Pressure 161

Viktor V. Struzhkin, Mikhail I. Eremets, Ivan M. Eremets,Jung-Fu Lin, Wolfgang Sturhahn, Jiyong Zhao, andMichael Y. Hu

vn






Magnetic Collapse and Insulator-Metal Transitions inSome 3-D Metal Oxides Under High Pressures 167

Igor S. Lyubutin, Alexander G. Gavriliuk, andViktor Struzhkin

Pressure-Induced Distortive Phase Transition inChromite-Spinel at 29 GPa 179

Jinfu Shu, Wendy L. Mao, Russell J. Hemley, andHokwang Mao

Lattice Dynamics and Thermodynamics of bcc Vanadiumat High Pressures 185

Xianwei Sha and R.E. Cohen

Author Index 197

Subject Index 199

*Invited Paper

vin






PREFACE

High-pressure materials research has been revolutionized in the past few years due to technologicalbreakthroughs in the diamond anvil cell (DAC), shock wave compression, and first-principles moleculardynamic simulation (MD) methods. Pressure-induced chemistry and high-pressure synthesis of superhardmaterials were topics of the very successful Symposium DD, "High-Pressure Materials Research," held atthe 1997 MRS Fall Meeting in Boston, Massachusetts. Since then, a plethora of discoveries have beenmade, including new materials synthesized under high pressure, geophysical-geochemical materialconversion, novel liquid-liquid transformation, unexpected chemical reactions, and ionization prior topolymerization of molecular solids. New experimental and computational techniques, such as in situstudies of materials properties and transformations using laser heating, shock wave in better-controlledP-T conditions, and first-principle molecular dynamics simulations, are increasingly providing a deeperinsight and a few surprises for the behavior and properties of matter at elevated pressure conditions. Thisproceedings volume, containing papers presented at Symposium PP, "Materials Research at High Pressure,'held November 27-28 at the 2006 MRS Fall Meeting in Boston, Massachusetts, provides a timelyopportunity to report on recent progress in the field.

Presentations have been solicited from the following representative scientific areas of interest:

• Synthesis of new superhard material, including nitrides, oxides, etc.

• Chemical reactions in molecular crystals at high pressure

• Biological systems under strain

• Liquid-liquid transformations

• Ionization and conductivity phenomena under extreme conditions

• Pressure effect on superconductivity, ferroelectricity, and magnetic properties

• Physical and chemical processes in deep earth mantle, planetary interior, and theorigin of life

We hope that the enthusiasm expressed by many of the attendees of this symposium forthe research topics in high-pressure science will be followed by similar symposia in future MRSconferences.

M. Riad ManaaAlexander F. GoncharovRussell J. HemleyRoberto Bini

February 2007

IX






ACKNOWLEDGMENTS

The symposium organizers acknowledge with gratitude the financial support providedby the Chemistry, Materials and Life Sciences directorate and the Energetic Materials Center(Randy Simpson) at Lawrence Livermore National Laboratory. Support of the Carnegie/DOEAlliance Center (CDAC) is also gratefully acknowledged.

We greatly appreciate the excellent administrative and technical support provided by theMRS staff, which was a major contribution to the success of this symposium.

We would like to thank the session chairs for doing an excellent job in keeping the programon schedule, and for moderating stimulating discussion throughout.

Finally, we are most appreciative to the community of authors for submitting their latestresearch results and advances for publication in this volume. We owe much gratitude topeer-reviewers whose diligent and thorough reviews made these proceedings possible.

XI






MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS

Volume 947E—Responsive Soft Matter—Chemistry and Physics for Assemblages, Films and Forms,R.A. Vaia, J. Genzer, G.H. McKinley, N. Tabiryan, 2007, ISBN 978-1-55899-904-6

Volume 948E—Structure, Processing and Properties of Polymer Nanofibers for Emerging Technologies,2007, ISBN 978-1-55899-905-3

Volume 949E— Smart Dielectric Polymer Properties, Characterization and Their Devices, V. Bharti, Z. Cheng,Q.M. Zhang, Y. Bar-Cohen, G.M. Sessler, 2007, ISBN 978-1-55899-906-0

Volume 950E—Biosurfaces and Biointerfaces, 2007, ISBN 978-1-55899-907-7Volume 95 IE—Nanofunctional Materials, Nanostructures and Novel Devices for Biological and Chemical

Detection, A. Zribi, C. Li, L. Nagahara, M. Willander, 2007, ISBN 978-1-55899-908-4Volume 952E—Integrated Nanosensors, B. Ash, 2007, ISBN 978-1-55899-909-1Volume 953E—Fibrillar Aggregates as Materials—Assembly, Properties and Applications, M. Upmanyu,

L. Mahadevan, C. MacPhee, J.V. Selinger, 2007, ISBN 978-1-55899-910-7Volume 954E—Biofilm-Material Interactions—New Tools, Technologies and Opportunities, M. Libera,

T. Camesano, B. Kreiswirth, P. Li, R.G. Richards, 2007, ISBN 978-1-55899-911-4Volume 955E—Advances in III-V Nitride Semiconductor Materials and Devices, C.R. Abernathy, H. Jiang,

J.M. Zavada, 2007, ISBN 978-1-55899-912-1Volume 956— Diamond Electronics—Fundamentals to Applications, P. Bergonzo, R. Gat, R.B. Jackman,

C.E. Nebel, 2007, ISBN 978-1-55899-913-8Volume 957— Zinc Oxide and Related Materials, J. Christen, C. Jagadish, D.C. Look, T. Yao, F. Bertram,

2007, ISBN 978-1-55899-914-5Volume 958— Group IV Semiconductor Nanostructures—2006, L. Tsybeskov, D J. Lockwood, C. Delerue,

M. Ichikawa, A.W. van Buuren, 2007, ISBN 978-1-55899-915-2Volume 959E— Quantum Dots—Growth, Behavior and Applications, E.A. Stach, C.R. Taylor, Z.M. Wang,

Q-K. Xue, 2007, ISBN 978-1-55899-916-9Volume 960E—Self Assembly of Nanostructures Aided by Ion- or Photon-Beam Irradiation—Fundamentals

and Applications, R. Kalyanaraman, U. Valbusa, Z. Zhang, 2007, ISBN 978-1-55899-917-6Volume 96IE—Nanostructured and Patterned Materials for Information Storage, Z.Z. Bandic, M. Rooks,

R. Berger, T. Ando, 2007, ISBN 978-1-55899-918-3Volume 962E—Nanoscale Magnets—Synthesis, Self-Assembly, Properties and Applications, J. Fassbender,

J. Chapman, C.A. Ross, 2007, ISBN 978-1-55899-919-0Volume 963E—Nanowires and Carbon Nanotubes—Science and Applications, P. Bandaru, M. Endo,

LA. Kinloch, A.M. Rao, 2007, ISBN 978-1-55899-920-6Volume 964E—Meta-Materials at the Milli-, Micro- and Nanoscale, R. Ramprasad, J. Page, P. Renaud,

P. Mangat, 2007, ISBN 978-1-55899-921-3Volume 965E—Organic Electronics—Materials, Devices and Applications, F. So, G.B. Blanchet, Y. Ohmori,

2007, ISBN 978-1-55899-922-0Volume 966E—Ferroelectrics and Multiferroics, V. Gopalan, J-P. Maria, M. Fiebig, C-W. Nan, 2007,

ISBN 978-1-55899-923-7Volume 967E—Advances in In Situ Characterization of Film Growth and Interface Processes, V. Matias,

R. Hammond, G. Rijnders, D. Schlom, 2007, ISBN 978-1-55899-924-4Volume 968— Advanced Electronic Packaging, V.P. Atluri, S. Sharan, C.P. Wong, D. Frear, 2007,

ISBN 978-1-55899-925-1






MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS

Volume 969— Heterogeneous Integration of Materials for Passive Components and Smart Systems, 2007,ISBN 978-1-55899-926-8

Volume 970— Enabling Technologies for 3-D Integration, C.A. Bower, P.E. Garrou, P. Ramm, K. Takahashi,2007, ISBN 978-1-55899-927-5

Volume 97IE—Hydrogen Storage Technologies, J-C. Zhao, I.M. Robertson, S-I. Orimo, 2007,ISBN 978-1-55899-928-2

Volume 972— Solid-State Ionics—E. Traversa, T.R. Armstrong, C. Masquelier, Y. Sadaoka, 2007,ISBN 978-1-55899-929-9

Volume 973E—Mobile Energy, A. Nathan, G. Amaratunga, M. Nookala, L.G. Scanlon, E. Morinobu, 2007,ISBN 978-1-55899-930-5

Volume 974E—Solar Energy Conversion, M. Beard, 2007, ISBN 978-1-55899-931-2Volume 975E—Mechanics of Biological and Bio-Inspired Materials, K. Katti, C. Hellmich, C. Viney,

U. Wegst, 2007, ISBN 978-1-55899-932-9Volume 976E—Size Effects in the Deformation of Materials—Experiments and Modeling, E. Lilleodden,

P. Besser, L. Levine, A. Needleman, 2007, ISBN 978-1-55899-933-6Volume 977E—Processing-Structure-Mechanical Property Relations in Composite Materials, L. Thilly,

N.R. Moody, A. Misra, P.M. Anderson, M. Kumar, 2007, ISBN 978-1-55899-934-3Volume 978E—Multiscale Modeling of Materials, R. Devanathan, MJ. Caturla, A. Kubota, A. Chartier,

S. Phillpot, 2007, ISBN 978-1-55899-935-0Volume 979E—Thermodynamics and Kinetics of Phase Transformations in Inorganic Materials, C. Ambromeit,

P. Bellon, J-L. Bocquet, D.N. Seidman, 2007, ISBN 978-1-55899-936-7Volume 980— Advanced Intermetallic-Based Alloys, J. Wiezorek, C.L. Fu, M. Takeyama, D. Morris,

H. Clemens, 2007, ISBN 978-1-55899-937-4Volume 98IE—Structural and Refractory Materials for Fusion and Fission Technologies, J. Aktaa, M. Samaras,

M. Serrano de Caro, M. Victoria, B. Wirth, 2007, ISBN 978-1-55899-938-1Volume 982E—Electron Microscopy Across Hard and Soft Materials, T.J. Balk, A. Minor, A. Porter, J. Plitzko,

2007, ISBN 978-1-55899-939-8Volume 983E—Focused Ion Beams for Analysis and Processing, W. MoberlyChan, H. Colijn, R. Langford,

A. Marshall, 2007, ISBN 978-1-55899-940-4Volume 984E—Magnetic Resonance in Material Science, J. Herberg, Y. Wu, P. Grandinetti, S. Hayes, I. Farnan,

2007, ISBN 978-1-55899-941-1Volume 985— Scientific Basis for Nuclear Waste Management XXX, D.S. Dunn, C. Poinssot, B. Begg, 2007,

ISBN 978-1-55899-942-8Volume 986— Actinides 2006—Basic Science, Applications and Technology, K.J.M. Blobaum, E.A. Chandler,

L. Havela, M.B. Maple, M.P. Neu, 2007, ISBN 978-1-55899-943-5Volume 987— Materials Research at High Pressure, M.R. Manaa, A.F. Goncharov, RJ. Hemley, R. Bini,

2007, ISBN 978-1-55899-944-2Volume 988E—Solid-State Chemistry of Inorganic Materials VI, R. Seshadri, J.W. Kolis, D.B. Mitzi,

M.J. Rosseinsky, 2007, ISBN 978-1-55899-945-9

Prior Materials Research Society Symposium Proceedings available by contacting Materials Research Society






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