𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics simulation study of nonlinear optical response of fluids

✍ Scribed by Lynn C. Geiger; Branka M. Ladanyi


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
649 KB
Volume
159
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


We present a molecular theory and molecular dynamics simulation of the transient nonlinear optical response measured in impulsive stimulated light scattering (ISS) and optical Kerr effect (OKE) experiments. The dipole-induced-dipole model is used to calculate the interaction-induced polarizability and ISS and OKE dynamic response functions of liquid CSI and compressed supercritical COr. We find that rotational relaxation dominates the long-time response and that "collision-induced" polarixability dynamics influences strongly the subpicosecond response of both fluids. These "collision-induced" effects are emphasized in the ISS signal, where they account for most of the peak intensity in the case of the hiiy polarizable CSI,


πŸ“œ SIMILAR VOLUMES


Non-equilibrium molecular dynamics simul
✍ A.D. Simmsons; P.T. Cummings πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 603 KB

We present a non-equilibrium molecular dynamics simulation of 125 methane molecules using a variant of the isokinetic "sllod" algorithm. The shear viscosity, pressure and internal energy of methane in a dense, supercritical fluid state (temperature 285.7 K and mass density 0.288 g/cm3) are calculate

Internal motion of benzene. A molecular
✍ Aatto Laaksonen; Jian Wang; Russell J. Boyd πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 612 KB

The internal motion of benzene is studied in the gas phase at 30 and 300 K and in the liquid phase at 300 K by means of a molecular dynamics method based on a hybrid of quantum and molecular mechanical force fields. The fluctuations of bond lengths, bond angles and torsional angles are calculated an

Hydration of superoxide studied by molec
✍ Jian Shen; Chung F. Wong; J. Andrew McCammon πŸ“‚ Article πŸ“… 1990 πŸ› John Wiley and Sons 🌐 English βš– 498 KB

Molecular dynamics was used to study the hydration of superoxide (0 2). The Helmholtz free energy of hydration of 0, was estimated by the thermodynamic integration method. The diffusion of 0, and the water structure around 0 2 were also studied. Two water models were used in the calculations and the