Session Index

Session Q31: Focus Session: Materials at High Pressure V: Structure Prediction and Complex Materials

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Sponsoring Units: DMP GSCCM DCOMP
Chair: Salah Boulfelfel, SUNY Stony Brook
Room: C145


Wednesday, March 23, 2011
11:15AM - 11:51AM

 Q31.00001: Crystal structure prediction using evolutionary algorithms: how to predict large and complex systems
Invited Speaker: Andriy Lyakhov

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Wednesday, March 23, 2011
11:51AM - 12:03PM

 Q31.00002: Prediction of complex high-pressure M-B crystal structures with an evolutionary algorithm
Aleksey Kolmogorov , Sheena Shah , Roxana Margine

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Wednesday, March 23, 2011
12:03PM - 12:15PM

 Q31.00003: Structure prediction for molecular crystals using evolutionary algorithms: methodology and applications
Qiang Zhu

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Wednesday, March 23, 2011
12:15PM - 12:27PM

 Q31.00004: Burnett-Cattaneo Continuum Theory for Shock Waves
B.L. Holian , M. Mareschal , R. Ravelo

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Wednesday, March 23, 2011
12:27PM - 12:39PM

 Q31.00005: High-pressure behavior of a novel, nitrogen-rich energetic material
R. Stewart McWilliams , Jennifer Ciezak-Jenkins , Yasmin Kadry , Vitaly Prakapenka , Mohammad Mahmood , Alexander Goncharov

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Wednesday, March 23, 2011
12:39PM - 12:51PM

 Q31.00006: High pressure--high temperature studies of ammonia
Julius Ojwang , Ryan McWilliams , Alexander Goncharov

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Wednesday, March 23, 2011
12:51PM - 1:03PM

 Q31.00007: Atomic structure and elastic properties at high pressure of aluminum oxynitride in cubic phase
I.G. Batyrev , J.W. McCauley , B.M. Rice , G.A. Gazonas , A.R. Oganov

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Wednesday, March 23, 2011
1:03PM - 1:15PM

 Q31.00008: In Situ Neutron and Synchrotron X-ray Diffraction Studies of Jarosite at High-Temperature High-Pressure Conditions
H. Xu , Y. Zhao , D. Hickmott , J. Zhang , S. Vogel , L. Daemen , M. Hartl

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Wednesday, March 23, 2011
1:15PM - 1:27PM

 Q31.00009: Testing the minimum thermal conductivity model for amorphous polymers using high pressure
Wen-Pin Hsieh , Mark Losego , Paul Braun , Sergei Shenogin , Pawel Keblinski , David Cahill

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Wednesday, March 23, 2011
1:27PM - 1:39PM

 Q31.00010: The Influence of Crystal Structure on the Thermal Expansion Behavior of GeZn$_{2}$O$_{4}$
Michael Crawford , R.L. Harlow , W.E. Guise , R.A. Fisher , W. Woerner , J.B. Parise , Q. Huang , J.W. Lynn , R. Stevens , B. Woodfield , J. Boerio-Goates , J. Lashley , O. Gourdon , A. Huq , J. Hormadaly , P.L. Lee , Y. Zhang

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Wednesday, March 23, 2011
1:39PM - 1:51PM

 Q31.00011: First-principles calculation of Ca2RuO4 at high pressure
Nobumi Miyawaki , Tatsuya Shishidou , Tamio Oguchi

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Wednesday, March 23, 2011
1:51PM - 2:03PM

 Q31.00012: Effect of high pressure on transport and structural properties of topological insulator Bi$_2$Se$_3$
J.J. Hamlin , J.R. Jeffries , N.P. Butch , P. Syers , D. A. Zocco , S.T. Weir , Y.K. Vohra , J. Paglione , M.B. Maple

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