Slow dynamics of energy transfer between different phonon modes under the resonance conditions is considered. It may result in new effects in the inelastic and quasielastic neutron scattering spectra.

A new semiorganic nonlinear optical crystal of bisthiourea nickel bromide (BTNB) was grown successfully by slow evaporation technique using water as solvent. The lattice parameters of the grown crystal have been determined by X-ray diffraction studies. Vibrational spectrum is recorded to determine symmetries of molecular vibrations. Optical absorbance spectrum recorded revealed that this crysta...

Accurate crystal structures and their experimental uncertainties, determined by X-ray diffraction/neutron diffraction techniques, are vital for crystal engineering studies, such as polymorph stability and crystal morphology calculations. Because of differences in crystal growth and data measurement conditions, crystallographic databases often contain multiple entries of varying quality of the s...

A new algorithm is presented for the lattice simulation of protein crystal growth. The algorithm allows the calculation of the size distribution of microcrystals in the volume and timescale of experiments and within the framework of the previously-published microscopic model [A.M. Kierzek, W.M. Wolf, P. Zielenkiewicz, Biophys. J. 73 (1997) 571-580]. Simulations for the tetragonal lysozyme cryst...

We present a simple coarse-grained lattice model for monodomain biaxial liquid-crystal elastomers and perform large-scale Monte Carlo simulations in the proposed model system. Orientational ordering--uniaxial or biaxial--reflects in sample deformations on cooling the system. The simulation output is used to predict calorimetry data and deuterium magnetic resonance spectra.

Monte Carlo simulations of lattice spin models represent a powerful method for the investigation of confined nematic liquid crystals and allow a study of the molecular organization and thermodynamics of these systems. Here some models of confined liquid crystals, such as polymer dispersed liquid crystals, twisted nematic, in-plane switching liquid crystal displays and hybrid aligned films are d...

We describe a lattice Boltzmann algorithm to simulate liquid crystal hydrodynamics. The equations of motion are written in terms of a tensor order parameter. This allows both the isotropic and the nematic phases to be considered. Backflow effects and the hydrodynamics of topological defects are naturally included in the simulations, as are non-Newtonian flow properties such as shear thinning an...