Bulletin of the American Physical Society

2009 APS March Meeting

Volume 54, Number 1

Monday–Friday, March 16–20, 2009; Pittsburgh, Pennsylvania

Session Index

Session B23: Alloy Theory	Show Abstracts
Sponsoring Units: DCMP Chair: Benjamin Burton, National Institute of Standards and Technology Room: 325

Monday, March 16, 2009 11:15AM - 11:27AM		B23.00001: Optimized basis-set representation for electronic-structure methods: Better Energetics Aftab Alam, Duane Johnson Preview Abstract
Monday, March 16, 2009 11:27AM - 11:39AM		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 Preview Abstract
Monday, March 16, 2009 11:39AM - 11:51AM		B23.00003: Electronic and Magnetic properties of NbFe$_2$: An itinerant magnet near a quantum critical point Alaska Subedi, David J. Singh Preview Abstract
Monday, March 16, 2009 11:51AM - 12:03PM		B23.00004: First-principles calculations of free energies of unstable phases: The case of fcc W Vidvuds Ozolins Preview Abstract
Monday, March 16, 2009 12:03PM - 12:15PM		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 Preview Abstract
Monday, March 16, 2009 12:15PM - 12:27PM		B23.00006: Development of an Embedded-Atom Method Potential for Niobium Michael R. Fellinger, John W. Wilkins Preview Abstract
Monday, March 16, 2009 12:27PM - 12:39PM		B23.00007: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum B. Grabowski, L. Ismer, T. Hickel, J. Neugebauer Preview Abstract
Monday, March 16, 2009 12:39PM - 12:51PM		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 Preview Abstract
Monday, March 16, 2009 12:51PM - 1:03PM		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 Preview Abstract
Monday, March 16, 2009 1:03PM - 1:15PM		B23.00010: Alternative alloys for catalysts and platinum jewelry? New structures in Pt-Hf and Pt-Mo Erin Gilmartin, Jacqueline Corbitt, Gus Hart Preview Abstract
Monday, March 16, 2009 1:15PM - 1:27PM		B23.00011: New structures in Pd-rich ordered alloys Jacqueline Corbitt, Erin Gilmartin, Gus Hart Preview Abstract
Monday, March 16, 2009 1:27PM - 1:39PM		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 Preview Abstract
Monday, March 16, 2009 1:39PM - 1:51PM		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 Preview Abstract
Monday, March 16, 2009 1:51PM - 2:03PM		B23.00014: Magnesium phase diagrams: Have you seen us? Gus Hart, Stefano Curtarolo Preview Abstract
Monday, March 16, 2009 2:03PM - 2:15PM		B23.00015: First-principles thermodynamics of point defects and off-stoichiometry in \textit{$\beta $}-Mg$_{17}$Al$_{12}$ Dongwon Shin, Christopher Wolverton Preview Abstract

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Bulletin of the American Physical Society

2009 APS March Meeting

Volume 54, Number 1

Monday–Friday, March 16–20, 2009; Pittsburgh, Pennsylvania

Session Index

Session B23: Alloy Theory

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