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Atomistic Molecular Modeling of Electric Field Poling of Nonlinear Optical Polymers

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Non-Linear Optical Properties of Matter

Part of the book series: Challenges and Advances in Computational Chemistry and Physics ((COCH,volume 1))

Abstract

The orientation of the nonlinear optical chromophore in a guest-host polymer system under the application of an external electric field plays an important role in the electro-optic activity in the material. The process of electric field poling of nonlinear optical chromophores in polymer systems has been studied through both Monte Carlo simulations and atomistic molecular modeling simulations. We review the progress of simulations in this area as well as describe our efforts and progress in understanding the process of electric field poling at an atomistic level of theory

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Author information

Authors and Affiliations

  1. Department of Physics, University of Maryland, Baltimore County, Baltimore Maryland, USA

    Megan R. Leahy-Hoppa, Joseph A. French, Paul D. Cunningham & L. Michael Hayden

Authors
  1. Megan R. Leahy-Hoppa
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  2. Joseph A. French
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  3. Paul D. Cunningham
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  4. L. Michael Hayden
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Editor information

Editors and Affiliations

  1. National Hellenic Research Foundation, Greece

    Manthos G. Papadopoulos

  2. Nicolaus Copernicus University, Poland

    Andrzej J. Sadlej

  3. Jackson State University, USA

    Jerzy Leszczynski

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Leahy-Hoppa, M.R., French, J.A., Cunningham, P.D., Hayden, L.M. (2006). Atomistic Molecular Modeling of Electric Field Poling of Nonlinear Optical Polymers. In: Papadopoulos, M.G., Sadlej, A.J., Leszczynski, J. (eds) Non-Linear Optical Properties of Matter. Challenges and Advances in Computational Chemistry and Physics, vol 1. Springer, Dordrecht. https://doi.org/10.1007/1-4020-4850-5_11

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