Accession Number:

ADA503530

Title:

A Priori Design of Optimal Electro-Optic Materials for Laser Eye Protection

Descriptive Note:

Conference paper

Corporate Author:

ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD

Report Date:

2008-12-01

Pagination or Media Count:

9.0

Abstract:

The task of protecting soldier eyesight and battlefield optical sensors from potentially damaging effects of high-intensity light has stimulated interest in electro-optic EO materials such as EO chromophores inserted into polymeric material. A priori design of optimal EO chromophores of Army relevance requires the capability to calculate accurately both the linear absorption properties in effect, the color and non-linear optical NLO properties of EO chromophores. Here we discuss two major challenges for the computational methods used in EO materials research 1 efficiency in exploring an extremely large space of possible EOmolecular architectures and 2 accuracy of calculating ultraviolet-visible UV-Vis spectra. We show that the constrained inverse molecular design algorithm cIMD and the long-range corrected density functional method LC-DFT facilitate the discovery of new chromophores for Army applications.

Subject Categories:

  • Electrical and Electronic Equipment
  • Numerical Mathematics
  • Optics
  • Protective Equipment
  • Safety Engineering

Distribution Statement:

APPROVED FOR PUBLIC RELEASE