6533b7d8fe1ef96bd1269806
RESEARCH PRODUCT
Insight in NLO Polymer Material Behavior from Langevin Dynamic Modeling of Chromophore Poling
A. JurgisM. Rutkissubject
chemistry.chemical_classificationQuantitative Biology::BiomoleculesFerrofluidMaterials sciencebusiness.industryPolingPolymerChromophoreCondensed Matter PhysicsPolarization (waves)Electronic Optical and Magnetic MaterialsDipolechemistryControl and Systems EngineeringChemical physicsMaterials ChemistryCeramics and CompositesOptoelectronicsHigh Energy Physics::ExperimentElectretPhysics::Chemical PhysicsElectrical and Electronic EngineeringLangevin dynamicsbusinessdescription
Calculation of chromophore polar order, i.e. the polarization of nonlinear optically (NLO) active polymers poled by external field, is challenging. One possible solution is to reproduce the orientation polarization of chromophores under external field using Langevin dynamics (LD) molecular modeling. The present work investigates the influence of chromophore dipole moment, density and field extent on NLO efficiency and polarization/relaxation dynamics. Results of simulations convince us, that the method is applicable for modeling real NLO polymers. In the spotlight of this investigation we would like to describe a NLO polymer as a “ferrofluid” where chromophores are active particles or electrets.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-01-01 | Integrated Ferroelectrics |