Bulletin of the American Physical Society

APS March Meeting 2012

Volume 57, Number 1

Monday–Friday, February 27–March 2 2012; Boston, Massachusetts

Session Index

Session J28: Focus Session: Frontiers in Computational Thermodynamics of Materials	Show Abstracts
Sponsoring Units: FIAP DCOMP Chair: Stefano Curtarolo, Duke University Room: 258C

Tuesday, February 28, 2012 11:15AM - 11:51AM		J28.00001: The role of Wang-Landau sampling in materials development Invited Speaker: David Landau Preview Abstract
Tuesday, February 28, 2012 11:51AM - 12:03PM		J28.00002: Dissolving the Periodic Table in Zirconia: Data Mining for Insight Bryce Meredig, Chris Wolverton Preview Abstract
Tuesday, February 28, 2012 12:03PM - 12:15PM		J28.00003: High-throughput discovering half-metals from materials magnetic properties database Junkai Xue, Shidong Wang, Kesong Yang, Chaitanya Das Pemmaraju, Stefano Sanvitos, Stefano Curtarolo Preview Abstract
Tuesday, February 28, 2012 12:15PM - 12:27PM		J28.00004: First Principles Modeling of the Temperature Dependent Ternary Phase Diagram for the Cu-Pd-S System William Huhn, Michael Widom Preview Abstract
Tuesday, February 28, 2012 12:27PM - 12:39PM		J28.00005: Wang-Landau Without Binning G. Brown, D. Nicholson, Kh. Odbadrakh, M. Eisenbach, A. Rusanu Preview Abstract
Tuesday, February 28, 2012 12:39PM - 1:15PM		J28.00006: Thermodynamic Stability of Actinide-Dioxide Solid Solutions and Surface Interactions with Water Invited Speaker: Mark Asta Preview Abstract
Tuesday, February 28, 2012 1:15PM - 1:27PM		J28.00007: Structure and stability of Al$_2$Fe and Al$_5$Fe$_2$ Michael Widom, Marek Mihalkovic Preview Abstract
Tuesday, February 28, 2012 1:27PM - 1:39PM		J28.00008: Equation of state of paramagnetic CrN from ab initio disordered local moments molecular dynamics Igor Abrikosov, Peter Steneteg, Bj\"orn Alling Preview Abstract
Tuesday, February 28, 2012 1:39PM - 1:51PM		J28.00009: Lattice dynamics of anharmonic solids from first principles Olle Hellman, Igor Abrikosov, Sergei Simak Preview Abstract
Tuesday, February 28, 2012 1:51PM - 2:03PM		J28.00010: Unified cluster expansion method applied to the configurational thermodynamics of cubic Ti$_{1-x}$Al$_{x}$N Bj\"orn Alling, Andrei Ruban, Ayat Karimi, Lars Hultman, Igor Abrikosov Preview Abstract
Tuesday, February 28, 2012 2:03PM - 2:15PM		J28.00011: Atomistic modeling of thermodynamic equilibrium of plutonium Tongsik Lee, Steve Valone, Mike Baskes, Shao-Ping Chen, Andrew Lawson Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2012

Volume 57, Number 1

Monday–Friday, February 27–March 2 2012; Boston, Massachusetts

Session Index

Session J28: Focus Session: Frontiers in Computational Thermodynamics of Materials

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