Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 53-65 |
| Number of pages | 13 |
| Journal | Integrated Ferroelectrics |
| Volume | 123 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 2011 |
| Event | Annual International Conference "Functional Materials and Nanotechnologies", FM and NT-2010 - Riga, Latvia Duration: 16 Mar 2010 → 19 Mar 2010 |
Keywords
- Langevin dynamics modeling
- NLO polymers
- orientation polarization
- relaxation dynamics
OECD Field of Science
- 1.3 Physical Sciences
- 2.5 Materials Engineering
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