Title :
Atomistic simulations of the local electric field in dielectric liquids
Author :
Davari, N. ; Daub, C.D. ; Astrand, P.-O. ; Unge, M.
Author_Institution :
Dept. of Chem., Norwegian Univ. of Sci. & Technol. (NTNU), Trondheim, Norway
fDate :
June 29 2014-July 3 2014
Abstract :
The linear response of the local electric field to an external electric field is calculated by a force-field model for frequencies through the first molecular excitation energy. Both static and frequency-dependent external fields are applied and results for the local field are presented for liquid benzene as a model system by combining molecular dynamics simulations and the local field model. It is found that the largest local field response is around 8 at the absorption frequency but it depends significantly on the molecular configuration of the liquid.
Keywords :
dielectric liquids; dielectric polarisation; electric field effects; molecular dynamics method; organic compounds; absorption frequency; atomistic simulations; dielectric liquids; force-field model; frequency-dependent external fields; liquid benzene; local electric field; local field model; local field response; molecular dynamics simulations; molecular excitation energy; polarization field; Atomic clocks; Atomic measurements; Electric fields; Optical polarization; force-field model; local electric field; molecular dynamic simulation; polarizability;
Conference_Titel :
Dielectric Liquids (ICDL), 2014 IEEE 18th International Conference on
Conference_Location :
Bled
DOI :
10.1109/ICDL.2014.6893141
