Session Index

Session H32: Focus Session: Computational Nanoscience III

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Abstracts
Sponsoring Units: DCOMP DMP
Chair: Byounghak Lee, Lawrence Berkeley National Laboratory
Room: Baltimore Convention Center 329


Tuesday, March 14, 2006
11:15AM - 11:27AM

 H32.00001: First-Principles Study of Atomistically Engineered 2D-Boron Sheets
Kah Chun Lau , Ravindra Pandey

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Tuesday, March 14, 2006
11:27AM - 11:39AM

 H32.00002: Density Functional Investigation of Surface Stress-Induced Phase Transformations in FCC Metallic Nanowires
Michael Haftel , Ken Gall

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Tuesday, March 14, 2006
11:39AM - 11:51AM

 H32.00003: First principles investigation of polymer-ceramic interfaces and composites
V. Ranjan , L. Yu , M. Buongiorno Nardelli , J. Bernholc

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Tuesday, March 14, 2006
11:51AM - 12:27PM

 H32.00004: Inverse Design of Surface-Based Magnetic Nanostructures
Invited Speaker: Zhenyu Zhang

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Tuesday, March 14, 2006
12:27PM - 12:39PM

 H32.00005: Design of Nano-Ears for Surface Enhanced Raman Scattering
Fernando A. Reboredo , Chad E. Talley , Stephen M. Lane

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Tuesday, March 14, 2006
12:39PM - 12:51PM

 H32.00006: Tip-based simulations of nanotribology of self-assembled monolayers
Michael Chandross , Christian D. Lorenz , Mark J. Stevens , Gary S. Grest

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Tuesday, March 14, 2006
12:51PM - 1:03PM

 H32.00007: Defects Assisted Growth Carbon-Based Nanomaterials
M.N. Yoon , Zhenyu Zhang , Doug Lowdnes

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Tuesday, March 14, 2006
1:03PM - 1:15PM

 H32.00008: Ab-Initio Simulations of the Growth of Short Carbon Nanobells
G.L. Zhao , D. Bagayoko

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Tuesday, March 14, 2006
1:15PM - 1:27PM

 H32.00009: Modeling the catalytic action of supersaturated Ni droplets for the initial stage of growth of single-walled nanotubes
I. Chaudhuri , M. Yu , C.S. Jayanthi , S. Y. Wu

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Tuesday, March 14, 2006
1:27PM - 1:39PM

 H32.00010: Molecular Functionalization Mechanism of Hydrogenated Si Surfaces
Yosuke Kanai , Annabella Selloni , Noboru Takeuchi , Roberto Car

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Tuesday, March 14, 2006
1:39PM - 1:51PM

 H32.00011: Density Functional Calculation of Hydrogen Storage in a C$_{60}$ Molecule
Chih-Kai Yang

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