Modeling of Chromophores under Static Electric Fields for Preparation of Ordered Bulk Glass Materials with Superior Optical Power Limiting Properties
Abstract
Influence of the viscosity of the solvent on the molecular motions, orientation of the molecule in the electric fields, the evaporation process, and concentration effects were successfully studied and described by molecular dynamic (MD) simulations. Our calculations have shown that the presence/absence of electric fields and the length of solvent molecules (degree of polymerization, viscosity) influence the motion of the molecules of interest. Moreover, by specific and targeted substitutions of donor and acceptor groups, we were able to design novel molecules suitable for optical power limiting (OPL) purposes. The successful results of our theoretical work have stimulated our experimental partners at the Swedish Defence Research Agency (Dr. Cesar Lopes) and University of Lyon (Prof. Stephane Parola) to develop synthetic protocols and equipment to produce ordered bulk glass materials in the laboratory.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 02, 2020
- Accession Number
- AD1106681
Entities
People
- Mathieu Linares
- Patrick Norman
Organizations
- Royal Institute of Technology