Bulletin of the American Physical Society

APS March Meeting 2013

Volume 58, Number 1

Monday–Friday, March 18–22, 2013; Baltimore, Maryland

Session Index

Session G5: Focus Session: Computational Discovery and Design of New Materials: Thermodynamics and Mechanical Properties	Show Abstracts
Sponsoring Units: DMP DCOMP Chair: Hyongki Park, Ohio State University Room: 301

Tuesday, March 19, 2013 11:15AM - 11:51AM		G5.00001: Materials Design based on Predictive Ab Initio Thermodynamics Invited Speaker: Joerg Neugebauer Preview Abstract
Tuesday, March 19, 2013 11:51AM - 12:03PM		G5.00002: Metastable Al-rich phases in the Al-Sm system: A genetic-algorithm study Feng Zhang, Zhuo Ye, Ian McBreaty, Mikhail Mendelev, Ryan Ott, Eun Soo Park, Matt Kramer, Cai-Zhuang Wang, Kai-Ming Ho Preview Abstract
Tuesday, March 19, 2013 12:03PM - 12:15PM		G5.00003: Prediction of previously unreported 18-electron ABC materials via first-principles thermodynamics Xiuwen Zhang, Andriy Zakutayev, Arpun Nagaraja, Thomas Mason, David Ginley, Alex Zunger Preview Abstract
Tuesday, March 19, 2013 12:15PM - 12:27PM		G5.00004: Computational Study of the Phase Diagram of Tungsten-Nitride Michael Mehl, Daniel Finkenstadt, Christian Dane, Stefano Curtarolo, Kesong Yang, Gus Hart Preview Abstract
Tuesday, March 19, 2013 12:27PM - 12:39PM		G5.00005: Elastic Constants and Phonons of Tungsten-Nitride from First Principles Christian Dane, Daniel Finkenstadt, Michael Mehl, Stefano Curtarolo Preview Abstract
Tuesday, March 19, 2013 12:39PM - 12:51PM		G5.00006: Building Symmetry During Crystal Structure Prediction Kyle Michel, Christopher Wolverton Preview Abstract
Tuesday, March 19, 2013 12:51PM - 1:03PM		G5.00007: Simulations of the Structure and Properties of Large Icosahedral Boron Clusters Based on a Novel Semi-Empirical Hamiltonian Paul Tandy, Ming Yu, C.S. Jayanthi, Shi-Yu Wu Preview Abstract
Tuesday, March 19, 2013 1:03PM - 1:15PM		G5.00008: The Structure, Stability, and Properties of a One-Dimensional $\alpha $-Boron Structure Cherno Baba Kah, Paul Tandy, Ming Yu, C.S. Jayanthi, S.Y. Wu Preview Abstract
Tuesday, March 19, 2013 1:15PM - 1:27PM		G5.00009: A framework for the design of nanomaterials with targeted applications Vladan Mlinar Preview Abstract
Tuesday, March 19, 2013 1:27PM - 1:39PM		G5.00010: Optimizing the design of artificial lattices Liang Z. Tan, Steven G. Louie Preview Abstract
Tuesday, March 19, 2013 1:39PM - 1:51PM		G5.00011: Modeling fracture of random media via stochastic molecular mechanics Leon Dimas, Tristan Giesa, Markus Buehler Preview Abstract
Tuesday, March 19, 2013 1:51PM - 2:03PM		G5.00012: The unsuspected origin of gold's nobleness Marisol Alcantara Ortigoza, Sergey Stolbov Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2013

Volume 58, Number 1

Monday–Friday, March 18–22, 2013; Baltimore, Maryland

Session Index

Session G5: Focus Session: Computational Discovery and Design of New Materials: Thermodynamics and Mechanical Properties

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