Focus Session: Computational Nanoscience III

Presentations

• First-Principles Study of Atomistically Engineered 2D-Boron Sheets

  ORAL

  March 14, 2006, 11:15 AM – March 14, 2006, 11:27 AM

  Authors

  • Kah Chun Lau

  • Ravindra Pandey

    • Michigan Technological University, USA
    • Department of Physics, Michigan Technological University, Houghton, MI
    • Department of Physics, Michigan Technological University, Houghton, MI 49931

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• Density Functional Investigation of Surface Stress-Induced Phase Transformations in FCC Metallic Nanowires

  ORAL

  March 14, 2006, 11:27 AM – March 14, 2006, 11:39 AM

  Authors

  • Michael Haftel

    • Naval Research Laboratory

  • Ken Gall

    • Georgia Institute of Technology

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• First principles investigation of polymer-ceramic interfaces and composites

  ORAL

  March 14, 2006, 11:39 AM – March 14, 2006, 11:51 AM

  Authors

  • V. Ranjan

  • L. Yu

  • M. Buongiorno Nardelli

  • J. Bernholc

    • North Carolina State University

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• Inverse Design of Surface-Based Magnetic Nanostructures

  COFFEE_KLATCH · Invited

  March 14, 2006, 11:51 AM – March 14, 2006, 12:27 PM

  Authors

  • Zhenyu Zhang

    • Condensed Matter Sciences Division, Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory \& University of Tennessee
    • University of Tennessee \& ORNL
    • Oak Ridge National Lab
    • Oak Ridge National Lab, University of Tennessee

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• Design of Nano-Ears for Surface Enhanced Raman Scattering

  ORAL

  March 14, 2006, 12:27 PM – March 14, 2006, 12:39 PM

  Authors

  • Fernando A. Reboredo

  • Chad Talley

    • Lawrence Livermore National Lab

  • Stephen M. Lane

    • Lawrence Livermore National Laboratory

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• Tip-based simulations of nanotribology of self-assembled monolayers

  ORAL

  March 14, 2006, 12:39 PM – March 14, 2006, 12:51 PM

  Authors

  • Michael Chandross

  • Christian D. Lorenz

  • Mark J. Stevens

    • Sandia National Laboratories

  • Gary S. Grest

    • Sandia National Labs
    • Sandia National Laboratories
    • Sandia National Laboratories*

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• Defects Assisted Growth Carbon-Based Nanomaterials

  ORAL

  March 14, 2006, 12:51 PM – March 14, 2006, 1:03 PM

  Authors

  • Mina Yoon

  • Zhenyu Zhang

    • Condensed Matter Sciences Division, Oak Ridge National Lab
    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory \& University of Tennessee
    • University of Tennessee \& ORNL
    • Oak Ridge National Lab
    • Oak Ridge National Lab, University of Tennessee

  • D.H. Lowndes

    • Oak Ridge National Laboratory
    • Oak Ridge National Laboratory, Oak Ridge, TN, USA

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• Ab-Initio Simulations of the Growth of Short Carbon Nanobells

  ORAL

  March 14, 2006, 1:03 PM – March 14, 2006, 1:15 PM

  Authors

  • G.L. Zhao

    • Southern University and A\&M College
    • Southern University and A\&M College; Visiting Fellow, Princeton University
    • Southern University and A\&M College;Visiting Fellow, Princeton University

  • D. Bagayoko

    • Southern University and A\&M College

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• Modeling the catalytic action of supersaturated Ni droplets for the initial stage of growth of single-walled nanotubes

  ORAL

  March 14, 2006, 1:15 PM – March 14, 2006, 1:27 PM

  Authors

  • I. Chaudhuri

  • M. Yu

  • C.S. Jayanthi

  • S. Y. Wu

    • University of Louisville

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• Molecular Functionalization Mechanism of Hydrogenated Si Surfaces

  ORAL

  March 14, 2006, 1:27 PM – March 14, 2006, 1:39 PM

  Authors

  • Yosuke Kanai

    • Princeton University

  • Annabella Selloni

    • Princeton University

  • Noboru Takeuchi

    • Universidad Nacional Autonoma de Mexico

  • Roberto Car

    • Department of Chemistry, Princeton University
    • Princeton University - Department of Chemistry
    • Princeton University, Princeton, NJ 08544, US
    • Princeton University

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• Density Functional Calculation of Hydrogen Storage in a C$_{60}$ Molecule

  ORAL

  March 14, 2006, 1:39 PM – March 14, 2006, 1:51 PM

  Authors

  • Chih-Kai Yang

    • Chang Gung University

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