A Priori Design of Optimal Electro-Optic Materials for Laser Eye Protection
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 relev...
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| creator | Andzelm, J Rawlett, A Dougherty, J Pritchett, T M Rinderspacher, C Beratan, D N Yang, Weitao Lindsay, G Chafin, A Davis, M Reynolds, P J |
| description | 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.
See also ADM002187. Presented at the Army Science Conference (26th) held in Orlando, Florida on 1-4 December 2008. Published in the Proceedings of the Army Science Conference (26th), 2008. The original document contains color images. |
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See also ADM002187. Presented at the Army Science Conference (26th) held in Orlando, Florida on 1-4 December 2008. Published in the Proceedings of the Army Science Conference (26th), 2008. The original document contains color images.</description><language>eng</language><subject>ABSORPTION ; ARMY PERSONNEL ; BATTLEFIELDS ; CHROMOPHORES ; CIMD(CONSTRAINED INVERSE MOLECULAR DESIGN) ; DAMAGE ASSESSMENT ; Electrical and Electronic Equipment ; ELECTROOPTICS ; EO(ELECTROOPTICS) ; EYE ; INTENSITY ; LASER SAFETY ; LCDFT(LONGRANGE CORRECTED DENSITY FUNCTION) ; LIGHT ; LINEAR ABSORPTION ; LINEARITY ; NLO(NON-LINEAR OPTICS) ; Numerical Mathematics ; NUMERICAL METHODS AND PROCEDURES ; OPTICAL DETECTORS ; OPTICAL MATERIALS ; Optics ; OPTIMIZATION ; POLYMERS ; Protective Equipment ; RADIATION PROTECTION ; REPRINTS ; Safety Engineering ; SYMPOSIA ; ULTRAVIOLET SPECTRA ; VISIBLE SPECTRA ; VISION</subject><creationdate>2008</creationdate><rights>Approved for public release; distribution is unlimited.</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,781,886,27569,27570</link.rule.ids><linktorsrc>$$Uhttps://apps.dtic.mil/sti/citations/ADA503530$$EView_record_in_DTIC$$FView_record_in_$$GDTIC$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>Andzelm, J</creatorcontrib><creatorcontrib>Rawlett, A</creatorcontrib><creatorcontrib>Dougherty, J</creatorcontrib><creatorcontrib>Pritchett, T M</creatorcontrib><creatorcontrib>Rinderspacher, C</creatorcontrib><creatorcontrib>Beratan, D N</creatorcontrib><creatorcontrib>Yang, Weitao</creatorcontrib><creatorcontrib>Lindsay, G</creatorcontrib><creatorcontrib>Chafin, A</creatorcontrib><creatorcontrib>Davis, M</creatorcontrib><creatorcontrib>Reynolds, P J</creatorcontrib><creatorcontrib>ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD</creatorcontrib><title>A Priori Design of Optimal Electro-Optic Materials for Laser Eye Protection</title><description>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.
See also ADM002187. Presented at the Army Science Conference (26th) held in Orlando, Florida on 1-4 December 2008. Published in the Proceedings of the Army Science Conference (26th), 2008. The original document contains color images.</description><subject>ABSORPTION</subject><subject>ARMY PERSONNEL</subject><subject>BATTLEFIELDS</subject><subject>CHROMOPHORES</subject><subject>CIMD(CONSTRAINED INVERSE MOLECULAR DESIGN)</subject><subject>DAMAGE ASSESSMENT</subject><subject>Electrical and Electronic Equipment</subject><subject>ELECTROOPTICS</subject><subject>EO(ELECTROOPTICS)</subject><subject>EYE</subject><subject>INTENSITY</subject><subject>LASER SAFETY</subject><subject>LCDFT(LONGRANGE CORRECTED DENSITY FUNCTION)</subject><subject>LIGHT</subject><subject>LINEAR ABSORPTION</subject><subject>LINEARITY</subject><subject>NLO(NON-LINEAR OPTICS)</subject><subject>Numerical Mathematics</subject><subject>NUMERICAL METHODS AND PROCEDURES</subject><subject>OPTICAL DETECTORS</subject><subject>OPTICAL MATERIALS</subject><subject>Optics</subject><subject>OPTIMIZATION</subject><subject>POLYMERS</subject><subject>Protective Equipment</subject><subject>RADIATION PROTECTION</subject><subject>REPRINTS</subject><subject>Safety Engineering</subject><subject>SYMPOSIA</subject><subject>ULTRAVIOLET SPECTRA</subject><subject>VISIBLE SPECTRA</subject><subject>VISION</subject><fulltext>true</fulltext><rsrctype>report</rsrctype><creationdate>2008</creationdate><recordtype>report</recordtype><sourceid>1RU</sourceid><recordid>eNrjZPB2VAgoyswvylRwSS3OTM9TyE9T8C8oycxNzFFwzUlNLinK1wXxkxV8E0tSizITc4oV0vKLFHwSi1OLFFwrU4Ha80uA6jLz83gYWNOA8qm8UJqbQcbNNcTZQzcFqD--uCQzL7Uk3tHF0dTA2NTYwJiANAC4HjFt</recordid><startdate>200812</startdate><enddate>200812</enddate><creator>Andzelm, J</creator><creator>Rawlett, A</creator><creator>Dougherty, J</creator><creator>Pritchett, T M</creator><creator>Rinderspacher, C</creator><creator>Beratan, D N</creator><creator>Yang, Weitao</creator><creator>Lindsay, G</creator><creator>Chafin, A</creator><creator>Davis, M</creator><creator>Reynolds, P J</creator><scope>1RU</scope><scope>BHM</scope></search><sort><creationdate>200812</creationdate><title>A Priori Design of Optimal Electro-Optic Materials for Laser Eye Protection</title><author>Andzelm, J ; 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See also ADM002187. Presented at the Army Science Conference (26th) held in Orlando, Florida on 1-4 December 2008. Published in the Proceedings of the Army Science Conference (26th), 2008. The original document contains color images.</abstract><oa>free_for_read</oa></addata></record> |
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| subjects | ABSORPTION ARMY PERSONNEL BATTLEFIELDS CHROMOPHORES CIMD(CONSTRAINED INVERSE MOLECULAR DESIGN) DAMAGE ASSESSMENT Electrical and Electronic Equipment ELECTROOPTICS EO(ELECTROOPTICS) EYE INTENSITY LASER SAFETY LCDFT(LONGRANGE CORRECTED DENSITY FUNCTION) LIGHT LINEAR ABSORPTION LINEARITY NLO(NON-LINEAR OPTICS) Numerical Mathematics NUMERICAL METHODS AND PROCEDURES OPTICAL DETECTORS OPTICAL MATERIALS Optics OPTIMIZATION POLYMERS Protective Equipment RADIATION PROTECTION REPRINTS Safety Engineering SYMPOSIA ULTRAVIOLET SPECTRA VISIBLE SPECTRA VISION |
| title | A Priori Design of Optimal Electro-Optic Materials for Laser Eye Protection |
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