Monday, March 16, 2009
11:15AM - 11:27AM
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B23.00001: Optimized basis-set representation for electronic-structure methods: Better Energetics
Aftab Alam
, Duane Johnson
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Monday, March 16, 2009
11:27AM - 11:39AM
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B23.00002: Applications of the KKR-DCA: A Finite-Temperature Density Functional Theory to Predict Chemical Short-Range Order Effects in Disordered Metallic Alloys
D.A. Biava
, D.D. Johnson
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Monday, March 16, 2009
11:39AM - 11:51AM
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B23.00003: Electronic and Magnetic properties of NbFe$_2$: An itinerant magnet near a quantum critical point
Alaska Subedi
, David J. Singh
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Monday, March 16, 2009
11:51AM - 12:03PM
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B23.00004: First-principles calculations of free energies of unstable phases: The case of fcc W
Vidvuds Ozolins
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Monday, March 16, 2009
12:03PM - 12:15PM
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B23.00005: Anomalies in the bulk properties of single crystalline Niobium
Richard K. Bollinger
, J. J. Neumeier
, B. D. White
, Yoko Suzuki
, A. Migliori
, Jon Betts
, H. R. Z. Sandim
, C. A. M. dos Santos
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Monday, March 16, 2009
12:15PM - 12:27PM
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B23.00006: Development of an Embedded-Atom Method Potential for Niobium
Michael R. Fellinger
, John W. Wilkins
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Monday, March 16, 2009
12:27PM - 12:39PM
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B23.00007: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum
B. Grabowski
, L. Ismer
, T. Hickel
, J. Neugebauer
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Monday, March 16, 2009
12:39PM - 12:51PM
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B23.00008: New Generation Structural Materials: Ab initio Based Modeling of High-Entropy Alloys
G. Malcolm Stocks
, Xing-Qiu Chen
, Easo P. George
, Chonglong Fu
, Takeshi Egami
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Monday, March 16, 2009
12:51PM - 1:03PM
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B23.00009: High-throuput formalism and calculation of Ag, Au, Cd, Co, Cr, Ir, W, and Zn solubility in Ti from first-principles
Roman Chepulskyy
, Stefano Curtarolo
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Monday, March 16, 2009
1:03PM - 1:15PM
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B23.00010: Alternative alloys for catalysts and platinum jewelry? New structures in Pt-Hf and Pt-Mo
Erin Gilmartin
, Jacqueline Corbitt
, Gus Hart
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Monday, March 16, 2009
1:15PM - 1:27PM
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B23.00011: New structures in Pd-rich ordered alloys
Jacqueline Corbitt
, Erin Gilmartin
, Gus Hart
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Monday, March 16, 2009
1:27PM - 1:39PM
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B23.00012: Verification and refinement of the Al-Mg-Zn $\Phi$ phase crystal structure model
Jeff Houze
, Bohumir Jelinek
, Sungho Kim
, Seong-Gon Kim
, Mark Horstemeyer
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Monday, March 16, 2009
1:39PM - 1:51PM
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B23.00013: An ab initio study of the crystal structure of the Tau-phase in Al-Mg-Zn alloys
Laalitha Liyanage
, Jeffrey Houze
, Sungho Kim
, Mark Horstemeyer
, Seong-Gon Kim
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Monday, March 16, 2009
1:51PM - 2:03PM
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B23.00014: Magnesium phase diagrams: Have you seen us?
Gus Hart
, Stefano Curtarolo
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Monday, March 16, 2009
2:03PM - 2:15PM
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B23.00015: First-principles thermodynamics of point defects and off-stoichiometry in \textit{$\beta $}-Mg$_{17}$Al$_{12}$
Dongwon Shin
, Christopher Wolverton
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