Session Index

Session A13: Focus Session: Metropolis Thesis Prize and Multiscale Modeling

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Abstracts
Sponsoring Units: DCOMP
Chair: Jorge Jose, SUNY Buffalo
Room: 309


Monday, March 16, 2009
8:00AM - 8:12AM

A13.00001: Flexibility and Direction Reversal in Flapping Locomotion
Saverio Spagnolie , Michael Shelley

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Monday, March 16, 2009
8:12AM - 8:24AM

A13.00002: Modeling the combined effect of surface roughness and shear rate on slip flow of simple fluids
Anoosheh Niavarani , Nikolai Priezjev

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Monday, March 16, 2009
8:24AM - 8:36AM

A13.00003: KMC simulations in 3+1 dimensions and the effects of attachment probabilities and potential gradients on island morphologies
Christopher Fleck , Judith Yang , Alan McGaughey , Jun Ren

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Monday, March 16, 2009
8:36AM - 9:12AM

A13.00004: Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics Talk: Understanding Nano-scale Electronic Systems via Large-scale Computation
Invited Speaker: Chao Cao

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Monday, March 16, 2009
9:12AM - 9:24AM

A13.00005: Role of Adatom Relaxations in Computing Lattice-gas Energies: Multisite Interactions
Rajesh Sathiyanarayanan , T. L. Einstein

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Monday, March 16, 2009
9:24AM - 9:36AM

A13.00006: Rapid and Accurate Estimates of Alloy Phase Diagrams for Design and Assessment
Teck Tan , Duane Johnson

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Monday, March 16, 2009
9:36AM - 9:48AM

A13.00007: Chemistry effects on dislocation mobility in refractory bcc metals
Nicholas Kioussis , Zhengzheng Chen , Gang Lu , Nasr Ghoniem

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Monday, March 16, 2009
9:48AM - 10:00AM

A13.00008: Computational studies of thermal evolutions of extended interstitial defects in silicon.
Hyoungki Park , John W. Wilkins

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Monday, March 16, 2009
10:00AM - 10:12AM

A13.00009: Multiscale Modeling of Catalysis and its Application to Hydrogen Production through the Water Gas Shift Reaction on Nanoparticles
Altaf Karim , James T. Muckerman

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Monday, March 16, 2009
10:12AM - 10:24AM

A13.00010: Preparation of nanoporous systems for the study of the mechanical properties of silica aerogels by Molecular Dynamics simulations
John S. Rivas Murillo , Martina E. Bachlechner , Ever J. Barbero

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Monday, March 16, 2009
10:24AM - 10:36AM

A13.00011: A hierarchical DPD thermostat to avoid over and/or underdamping at long wavelengths in MD simulations
Kevin Green , Colin Denniston , Martin Muser

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Monday, March 16, 2009
10:36AM - 10:48AM

A13.00012: Determination of the ground state structures of binary alloys via global space group optimziation (GSGO) with no restrictions on composition:Al-Sc.
Giancarlo Trimarchi , Arthur J. Freeman , Alex Zunger

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Monday, March 16, 2009
10:48AM - 11:00AM

A13.00013: Non-crystalline state of silicon studied by multicanonical simulation combined with first-principles calculation
Yoshihide Yoshimoto

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