Session Index

Session Q24: Focus Session: Multiscale Modeling: Heterogeneous Systems and Interfaces

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Abstracts
Sponsoring Units: DCOMP DMP
Chair: Srinivasan Srivilliputhur, University of North Texas
Room: D167


Wednesday, March 23, 2011
11:15AM - 11:51AM

 Q24.00001: Kinetic Monte Carlo with fields: diffusion in heterogeneous systems
Invited Speaker: Jose Alfredo Caro

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Wednesday, March 23, 2011
11:51AM - 12:27PM

 Q24.00002: On the atomic-scale design of metal-metal heterointerfaces
Invited Speaker: Michael Demkowicz

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Wednesday, March 23, 2011
12:27PM - 12:39PM

 Q24.00003: Atomistic Mechanism of Kinking in the Vapor-Liquid-Solid Growth of Silicon Nanowires
Seunghwa Ryu , Wei Cai

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Wednesday, March 23, 2011
12:39PM - 12:51PM

 Q24.00004: Prediction of the anisotropic properties of energetic materials at elevated pressures and temperatures
Oscar Ojeda , Tahir Cagin

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Wednesday, March 23, 2011
12:51PM - 1:03PM

 Q24.00005: Migration energies of native defects and fission products in uranium dioxide
Alexander Thompson , Chris Wolverton

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Wednesday, March 23, 2011
1:03PM - 1:15PM

 Q24.00006: Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite
Ruifeng Zhang , Jian Wang , Irene J. Beyerlein , Timothy C. Germann

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Wednesday, March 23, 2011
1:15PM - 1:27PM

 Q24.00007: Atomic and Surface Interactions of Electrode Metals with a p-Type Organometallic Conductor
Bhaskar Chilukuri , Thomas Cundari

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Wednesday, March 23, 2011
1:27PM - 1:39PM

 Q24.00008: Structure of charge trapping in cerium-doped aluminophosphate and phosphosilicate glasses: combining molecular dynamics simulations and \textit{ab initio} DFT calculations
Leopold Kokou , Yun Li , Jincheng Du

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Wednesday, March 23, 2011
1:39PM - 1:51PM

 Q24.00009: Surface Structure and Work Function of ZnO Based on First Principle DFT Calculations
Yun Li , JinCheng Du

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Wednesday, March 23, 2011
1:51PM - 2:03PM

 Q24.00010: Coupling Fluctuating Hydrodynamics with Molecular Dynamics at the Nanoscale
Nikolaos Voulgarakis , Jhih-Wei Chu

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Wednesday, March 23, 2011
2:03PM - 2:15PM

 Q24.00011: Multiscale Modeling of Solutions
Olayinka Olatunji-Ojo , Sandra Boetcher , Thomas Cundari

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