Session Index

Session P31: Focus Session: Computational Nanoscience V: Mechanical Properties and General Methods

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Abstracts
Sponsoring Units: DMP DCOMP
Chair: Murilo L. Tiago, Oak Ridge National Laboratory
Room: Morial Convention Center 223


Wednesday, March 12, 2008
8:00AM - 8:36AM

P31.00001: Materials under Extreme Conditions: Ultrahigh Strength under Shock Loading
Invited Speaker: Eduardo M. Bringa

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Wednesday, March 12, 2008
8:36AM - 8:48AM

P31.00002: Effects of nanoscale structure on the mechanical properties of nanoporous silica.
Daniel Lacks

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Wednesday, March 12, 2008
8:48AM - 9:00AM

P31.00003: Phase-field simulations of martensite-martensite nanocomposites
Mathieu Bouville , Rajeev Ahluwalia

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Wednesday, March 12, 2008
9:00AM - 9:12AM

P31.00004: The dynamical activation-relaxation technique (DART): an on-the-fly kinetic Monte-Carlo algorithm
Fadwa El-Mellouhi , Michel Cote , Laurent J. Lewis , Normand Mousseau

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Wednesday, March 12, 2008
9:12AM - 9:24AM

P31.00005: Charge patching method for the calculation of electronic structure of organic semiconductors
Nenad Vukmirovic , Lin-Wang Wang

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Wednesday, March 12, 2008
9:24AM - 9:36AM

P31.00006: Real-space grid representation of momentum and kinetic energy operators for electronic structure calculations.
Domenico Ninno , Giovanni Cantele , Fabio Trani

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Wednesday, March 12, 2008
9:36AM - 9:48AM

P31.00007: Single molecular NDR: A first principles study
Ranjit Pati

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Wednesday, March 12, 2008
9:48AM - 10:00AM

P31.00008: Electron correlations in molecular wires: e-e interactionion both in leads and bridge
Yuri Dahnovsky , Vince Ortiz

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Wednesday, March 12, 2008
10:00AM - 10:12AM

P31.00009: Characterizing Capture-Zone Distributions: Generalized Wigner vs.\ Alternative Forms, and Experimental Fits
T.L. Einstein , Alberto Pimpinelli

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Wednesday, March 12, 2008
10:12AM - 10:24AM

P31.00010: Molecular simulations of capillary adhesion
Shengfeng Cheng , Mark Robbins

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Wednesday, March 12, 2008
10:24AM - 10:36AM

P31.00011: Molecular propellers and tunneling-driven motors
Lela Vukovic , Boyang Wang , Petr Kral

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Wednesday, March 12, 2008
10:36AM - 10:48AM

P31.00012: An algebraic approach to computer program design and memory management
James Raynolds , Lenore Mullin

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Wednesday, March 12, 2008
10:48AM - 11:00AM

P31.00013: Giant Hall Effect in Laterally Inhomogeneous 2D Electron Gas
Hang Xie , Ping Sheng

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