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We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…
We use empirical molecular dynamics technique to study the low-energy vibrations in a large 4096 atom model for pure amorphous silicon and a set of models with voids of different size based on it. Numerical vibrational eigenvalues and…
We analyze two simple model planar molecules: an ionic molecule with D3 symmetry and a covalent molecule with D6 symmetry. Both symmetries allow the existence of chiral molecular orbitals and normal modes that are coupled to each other in a…
A coherent control scheme for the population distribution in the vibrational states of nonpolar molecules is proposed. Our theoretical analysis and results of numerical simulations for the interaction of the hydrogen molecular ion in its…
We investigate general aspects of molecular line formation under conditions which are typical of prestellar cores. Focusing on simple linear molecules, we study formation of their rotational lines by radiative transfer simulations. We…
Linear and rotational dragging effects of gravitational waves on local inertial frames are studied in purely vacuum spacetimes. First the linear dragging caused by a simple cylindrical pulse is investigated. Surprisingly strong transversal…
We calculate the equilibrium properties and the dynamic response of two vertically coupled circular quantum dots populated by particles of different electrical charge sign, i.e. electrons and holes. The equilibrium density profiles are…
The motion of chemical bonds within molecules can be observed in real time, in the form of vibrational wavepackets prepared and interrogated through ultrafast nonlinear spectroscopy. Such nonlinear optical measurements are commonly…
The recoil of atoms in dense ensembles during light matter interactions is studied using quantized vibrational states for the atomic motion. The recoil resulting from the forces due to the near-field collective dipole interactions and…
Rotational spectra in four new excited vibrational levels of the linear carbon chain radical C$_4$H radical were observed in the millimeter band between 69 and 364 GHz in a low pressure glow discharge, and two of these were observed in a…
The conditions which determine whether a material behaves in a brittle or ductile fashion on mechanical loading are still elusive and comprise a topic of active research among materials physicists and engineers. In this study, we present…
The characteristics of discrete vibrational levels caused by a point three-parameter substitutional impurity in long linear chain of inert gas atoms adsorbed in groove on the surface of carbon nanobundle are studied. The impurity atom…
The methods producing cold molecules from cold atoms tend to leave molecular ensembles with substantial residual internal energy. For instance, Cs2 molecules initially formed via photoassociation of cold Cs atoms are in several vibrational…
The proton momentum and density distributions of closed shell nuclei are calculated within a model treating short--range correlations up to first order in the cluster expansion. The validity of the model is verified by comparing the results…
In this paper, we employ Molecular Dynamics computer simulations to study and compare the statics and dynamics of linear and circular (ring) polymer chains in entangled solutions of different densities. While we confirm that linear chain…
Renormalization of the Coulomb interaction in layered metals results in a strongly anisotropic plasma mode with low frequencies for small components of wave vector in the in-plane direction. Interaction of electrons with this mode was found…
Collisions of polar $^{1}\Sigma$ state molecules at ultralow energies are considered, within a model that accounts for long-range dipole-dipole interactions, plus rotation of the molecules. We predict a substantial suppression of…
Unimolecular evaporation in rotating, non-spherical atomic clusters is investigated using Phase Space Theory in its orbiting transition state version. The distributions of the total kinetic energy release epsilon_tr and the rotational…
Amorphous solids tend to present an abundance of soft elastic modes, which diminish their transport properties, generate heterogeneities in their elastic response, and affect non-linear processes like thermal activation of plasticity. This…
We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…