Nonlinear optical susceptibilities of poled guest-host systems: A computational approach

Article Abstract:

Using structures simulated by molecular dynamics, linear and nonlinear optical susceptibilities of poled guest-host polymer systems are calculated. Three systems are investigated, each consisting of a poly(methylmethacrylate) (PMMA) matrix and doped with either of the one-dimensional nonlinear optical (NLO) chromophores N,N- dimenthyl-p-nitroaniline (DPNA) and 4-(dimethylamino)-4-nitrosilbene (DMANS) or the two-dimensional NLO chromophere N, N'-di-n-propyl1-1,5-diamino-2, 4-dinitrobenzene (DPDADNB).

Polymers, Molecular dynamics, Chemistry, Physical and theoretical, Physical chemistry, Nonlinear optics

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An analytical model for probing ion dynamics in clays with broadband dielectric spectroscopy

Article Abstract:

A simple two-state model is proposed to explicitly derive the ionic contribution to the frequency-dependent dielectric permittivity of clay. The model is based on a separation of time scales and accounts for two possible solvation modes (inner/outer-sphere complexes) for ions in the interlayer spacing and a possible chemical exchange between both forms.

Nuclear magnetic resonance spectroscopy, Spectra, Ions, Dielectrics, Dielectric materials, Structure, Chemical properties

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