Accurate modeling of high-temperature hypersonic flows in the atmosphere requires consideration of collision-induced dissociation of molecular species and energy transfer between the translational and internal modes of the gas molecules. Here, we describe a study of the N2 + N2⟶N2 + 2N and N2 + N2⟶4N nitrogen dissociation reactions using the quasiclassical trajectory (QCT) method. The simulatio...

Dynamical calculations are performed on an ab initio potential energy surface for KCN. Approximate variational solutions of the vibrational Eckart hamihonian are presented for several states. Fundamental vibrations are found to lie at 302.7 cm -1 and 119.7 cm -1. An effective rotational hamihonian is solved for several vibrational states allowing vibrational assignments to be made to the observ...

For relativistic stars rotating slowly and differentially with a positive angular velocity, some properties in relation to the positiveness of the rate of rotational dragging and of the angular momentum density are derived. Also, a new proof for the bounds on the rotational mass-energy is given. PACS numbers: 04.40.Dg, 97.10.Kc, 02.30.Jr

We demonstrate a cylindrical rotating triboelectric nanogenerator (TENG) based on sliding electrification for harvesting mechanical energy from rotational motion. The rotating TENG is based on a core-shell structure that is made of distinctly different triboelectric materials with alternative strip structures on the surface. The charge transfer is strengthened with the formation of polymer nano...

Molecular dynamic simulation program has been developed which can be used to model the static and dynamic properties of molecular nitrogen (N2) under high pressure. The dynamics of the N2 molecules accounts precisely both translational and rotational degrees of freedom. The rotational motion of the N2 molecule is approximated assuming constant moment of inertia of the nitrogen molecule. The pro...

The state-to-state vibrational predissociation (VP) dynamics of the hydrogen-bonded ammonia-acetylene dimer were studied following excitation in the asymmetric CH stretch. Velocity map imaging (VMI) and resonance-enhanced multiphoton ionization (REMPI) were used to determine pair-correlated product energy distributions. Following vibrational excitation of the asymmetric CH stretch fundamental, ...

An empirical potential energy surface has been developed for the Ne·OH/D complexes from the experimentally observed vibrational and rotational energy levels with ab initio calculations being used for initial esti-

We study the rotational predissociation of atom-molecule complexes with very small binding energy. Such complexes can be produced by Feshbach resonance association of ultracold molecules with ultracold atoms. Numerical calculations of the predissociation lifetimes based on the computation of the energy dependence of the scattering matrix elements become inaccurate when the binding energy is sma...

The translational and orientational dynamics of water in carbon nanotubes has been studied by quasi-elastic neutron scattering from 300 down to 10 K. Results show that, reducing temperature below 200 K, part of this water behaves as a quasi-free rotor, that is, the orientational energy of such molecules becomes comparable to the rotational energy of water in the gas phase. This novel and unique...

Experiments and computer simulations demonstrate that water spontaneously fills the hydrophobic cavity of a carbon nanotube. To gain a quantitative thermodynamic understanding of this phenomenon, we use the recently developed two phase thermodynamics method to compute translational and rotational entropies of confined water molecules inside single-walled carbon nanotubes and show that the incre...