Monday, March 15, 2010
8:00AM - 8:12AM
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A15.00001: Modeling Point Defects in Austenite using Density Functional Theory
Ron Gibala
, William Counts
, Chris Wolverton
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Monday, March 15, 2010
8:12AM - 8:24AM
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A15.00002: Ab-initio and thermodynamic description of interaction of hydrogen with vacancies in fcc iron
Roman Nazarov
, Tilmann Hickel
, Joerg Neugebauer
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Monday, March 15, 2010
8:24AM - 8:36AM
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A15.00003: Characteristic Picture of Fe-Based Disordered Alloys: {\em Ab Initio} Study
S. J. Kang
, Miyoung Kim
, Young-Kyun Kwon
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Monday, March 15, 2010
8:36AM - 8:48AM
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A15.00004: Liquid-metal embrittlement in Iron: surface energy reduction of Fe(110) upon Hg, Pb and Bi adsorption
Lin-Lin Wang
, Thierry Auger
, Duane D. Johnson
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Monday, March 15, 2010
8:48AM - 9:00AM
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A15.00005: Multi-scale modelling of the structure and mobility of small defect clusters in iron
Mihai-Cosmin Marinica
, Francois Willaime
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Monday, March 15, 2010
9:00AM - 9:12AM
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A15.00006: Predicting Dislocation Climb and Creep from Explicit Atomistic Details
Mukul Kabir
, Timothy T. Lau
, David Rodney
, Sidney Yip
, Krystyn J. Van Vliet
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Monday, March 15, 2010
9:12AM - 9:24AM
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A15.00007: Grain boundaries and glasses: birds of a feather
Hao Zhang
, David Srolovitz
, Jack Douglas
, James Warren
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Monday, March 15, 2010
9:24AM - 9:36AM
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A15.00008: Computing ab initio free energy contributions of point defects
B. Grabowski
, L. Ismer
, T. Hickel
, J. Neugebauer
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Monday, March 15, 2010
9:36AM - 9:48AM
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A15.00009: Atomistic simulation of plastic deformation in metallic nanowires
Min Ji
, Cai-Zhuang Wang
, Kai-ming Ho
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Monday, March 15, 2010
9:48AM - 10:00AM
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A15.00010: First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys
Li-Fang Zhu
, Martin Fri{\'a}k
, J{\"o}rg Neugebauer
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Monday, March 15, 2010
10:00AM - 10:12AM
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A15.00011: The impact of kinetics and the thresholds of twinning in \emph{bcc} tantalum
Kyle Caspersen
, Robert Rudd
, Mike Surh
, David Richards
, Jim Glosli
, Fred Streitz
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Monday, March 15, 2010
10:12AM - 10:24AM
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A15.00012: Embedded-atom method potential for niobium
Michael Fellinger
, Hyoungki Park
, John Wilkins
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Monday, March 15, 2010
10:24AM - 10:36AM
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A15.00013: Role of the defect core in energetics of vacancies in aluminum
Vikram Gavini
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Monday, March 15, 2010
10:36AM - 10:48AM
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A15.00014: The formation and structure of the oxide and hydroxide chemisorbed phases at the aluminum surface, and relevance to hydrogen embrittlement
Michael Francis
, Robert Kelly
, Matthew Neurock
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Monday, March 15, 2010
10:48AM - 11:00AM
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A15.00015: Ab initio investigation of grain boundary cohesion in Al alloys
Shengjun Zhang
, Oleg Y. Kontsevoi
, A.J. Freeman
, G.B. Olson
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