Reorientational motion in binary mixtures: molecular dynamics simulations

Molecular reorientational motion has been studied in a dilute solution of linear ‘tracer’ molecules in a solvent that exhibits liquid, plastic and crystalline phases. Molecular dynamics simulations have been used to extract reorientational correlation functions for both solvent and solute species as functions of temperature in all phases. The transition from the liquid to the plastic phase (upon cooling) results in less hindered tracer rotation, as evidenced by the more rapid decay of orientational correlation. These surprising dynamics are interpreted in terms of structural changes at freezing that lead to a less confining local tracer environment. The findings support a recent experimental result obtained from polarized Raman scattering on a solution of CS₂ tracers in a cyclohexane host.     

Reorientational motion of the OH− ion in cubic sodium hydroxide

The rotational motion of the OH^? ion was studied in cubic NaOH at 575 K with quasielastic incoherent neutron scattering. The data are compared to two simple models yielding values for the radius of rotation R, the translational mean square displacement 〈u²〉_H, the rotational jump rate τ^?1 and the rotational diffusion coefficient D_R. The following parameter values are obtained: (a) rotational jump model: $\text{R = 0.95}\text{A}\text{?}$, $\text{〈u}{}^2\text{〉}{}_{\mathrm{H}}\text{= 0.052}\text{A}\text{?}{}^2\text{, τ}{}^{\mathrm{?1}}\text{= 2}\text{meV}$, (b) rotational diffusion model: $\text{R = 0.99}\text{A}\text{?}\text{, 〈u}{}^2\text{〉}{}_{\mathrm{H}}\text{= 0.046}\text{A}\text{?}{}^2\text{, D}{}_{\mathrm{R}}\text{= 0.72}\text{meV}$.     

Photoconversion and photocatalytic activity of uranyl in acetone solutions

We have studied the effect of irradiation on the uranyl nitrate — acetone and uranyl perchlorate — acetone systems. We have established that when the uranyl perchlorate — acetone system is irradiated, polymerization of the acetone occurs and the catalyst for the process is excited uranyl complexes. In the polymer, uranium is found in the form of nanoclusters of pentavalent and tetravalent uranium, formed as a result of photochemical reactions. Polymerization does not occur in the uranyl nitrate — acetone system. We consider possible factors responsible for the noted differences. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 5, pp. 565–568, September–October, 2007.     

CIDNP in photolysis of acetone solutions in plastic crystals of cyclohexane-d12

The emissive CIDNP was observed during photolysis of acetone solutions in solid cyclohexane-d₁₂. The polarization is assumed to arise in contact triplet radical pairs as a result of their T_-S, conversion and their recombination.     

Reorientational transition and stripe domains in Co films

We have grown, by sputtering, Co films on (1 1 1) Si substrate, with the aim to find the critical thickness of the reorientational transition of the magnetization from the plane to out of the plane as the hcp axis is oriented perpendicular to the film. Stripe Domains (SD) by Magnetic Force Microscopy, characteristic signature of Perpendicular Magnetic Anisotropy, have been found only in samples grown in some series while samples grown with the same growth parameters do not show stripe domains, indicating an in-plane orientation of the magnetization. These apparently controversial results will be explained in terms of the system fundamental parameters, magnetization, exchange stiffness constant and perpendicular magnetic anisotropy of the sample, which play a crucial role especially in Co films.     

Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules

Molecular dynamics simulations have been carried out on fluids of tetrahedral molecules for several sets of temperatures and pressures. The results were analysed to give reorientational and angular velocity autocorrelation functions. It was found that these could be related by a cumulant expansion in powers of the angular velocity and rotation operators. This type of analysis is likely to prove simple and useful for relating orientational correlation functions to the angular velocity correlation function in dense fluids where reorientation is hindered.     

Geodesic motion in the 5D magnetized Schwarzschild-like solutions

Geodesics for a 5D magnetized Schwarzschild-like solution are analyzed by reducing the problem to the motion of a test particle in an effective potential. In absence of magnetic field comparison is established with Schwarzschild's geometry. Embedding diagrams are constructed in order to visualize the geometry of the metric. The study performed here is also valid, when the electromagnetic interactions are neglected, for the low energy superstring theory and the Brans-Dicke theory.     

Rotational solutions under the new theory of motion

The author recently introduced a new theory of motion which resolves several problems in the philosophy of physics and mathematics by replacing the continuum with nonvanishing time. Nonvanishing time means that the magnitude of an instant does not have the functional properties of zero, even though it may be very small. As a result, joint functions of time, such ass=vt, vary as the other terms even when time is instantaneous. Hence size (vdt or instantaneous position) is increasing as velocity. This paper presents some quantitative solutions to the above for the case in which a point of massm is resolving in a perfect circle with uniform speedv=r. The magnitude of an instantdt — the minimum time for real events—is found by obtaining the magnitude of the arcds along which the rotating point is distributed overdt time. Under the Heisenberg uncertainty principle this turns out to beds ²=h(m)^–1. If the de Broglie equation and Einstein's two equations for photon energy are introduced, then in generalds ²=r. Under the quantum mechanical definition of orbital angular momentum r ^–1=2n ^–1, wheren is the integral scalar for. Hence there is an asymmetry on the right side of the last expression fords, and the ratio ofds to the circumference of the circle is (2n)^–1/2.     

Structural study of aqueous solutions of tetrahydrofuran and acetone mixtures using dielectric relaxation technique

The complex permittivity, static dielectric constant and relaxation time for tetrahydrofuran-water and acetone-water mixtures have been determined at 0°, 10°, 25° and 35°C using time domain reflectometry technique (TDR). The behaviour of relaxation time of the mixture shows a maxima for the mixture with 30% of water by volume. This suggests that the tendency to form cluster between water and solute molecule is maximum for this mixture. The excess permittivity for both tetrahydrofuran-water mixture and acetone-water mixtures, are found to be negative. The Kirkwood correlation factor has been determined at various concentrations of water. Static dielectric constant for the mixtures have been fitted well with the modified Bruggeman model. The values of the Bruggeman parametera for tetrahydrofuran is found to be more than the corresponding value for acetone.     

Topological defect solutions in the spherically symmetric space-time admitting conformal motion

In this paper, we have examined strings with monopole and electric field and domain walls with matter and electric field in the spherically symmetric space-time admitting a one-parameter group of conformal motions. For this purpose, we have solved Einstein's field equations for a spherically symmetric space-time via conformal motions. Also, we have discussed the features of the obtained solutions.     

Internal rotation in acetone

The geometrical structure of the ground state of acetone obtained by ab initio SCF energies is compared with experimental structures mainly from microwave spectroscopy. The potential function for the internal rotational motions in acetone obtained from SCF energies is compared with experimental. It is shown that the top-top coupling constants are not negligible in acetone, and that at least three constants are required to give realistic potential functions for internal rotation in dimethyl molecules. Torsional potential constants for acetone of V₃ = 452, V₃₃ = 174, V′₃₃ = −171, and V₆ = 1 cm⁻¹ are calculated with the DZ basis.     

Reproduction of solutions in the plane problem on motion of a free-boundary fluid

This study is devoted to finding exact solutions of the plane unsteady problem on the motion of an ideal incompressible free-boundary fluid. A certain procedure of reproduction making it possible to obtain a two-parametrical family of new exact solutions from one known solution is proposed.     

General magnetized Weyl solutions: disks and motion of charged particles

We construct three families of general magnetostatic axisymmetric exact solutions of Einstein-Maxwell equations in spherical coordinates, prolate, and oblates. The solutions obtained are then presented in the system of generalized spheroidal coordinates which is a generalization of the previous systems. The method used to build such solutions is the well-known complex potential formalism proposed by Ernst, using as seed solutions vacuum solutions of the Einstein field equations. We show explicitly some particular solutions among them a magnetized Erez-Rosen solution and a magnetized Morgan-Morgan solution, which we interpret as the exterior gravitational field of a finite dislike source immersed in a magnetic field. From them we also construct using the well known “displace, cut and reflect” method exact solutions representing relativistic thin disks of infinite extension. We then analyze the motion of electrically charged test particles around these fields for equatorial circular orbits and we discuss their stability against radial perturbations. For magnetized Morgan-Morgan fields we find that inside of disk the presence of magnetic field provides the possibility of to find relativist charged particles moving in both prograde and retrograde direction.     

Elliptic solutions of equations of motion of the interacting particles in an external field

We consider the problem of finding analytic solutions to the equations of motion of completely integrable systems of two interacting particles on a straight line in an external field of an anharmonic oscillator. It is shown that for all values of the parameters of the interaction hamiltonian there exist solutions dependent on time through the jacobian elliptic functions.     

Asymptotic stability of traveling wave solutions of systems for one-dimensional gas motion

The asymptotic stability of traveling wave solutions with shock profile is investigated for several systems in gas dynamics. 1) The solution of a scalar conservation law with viscosity approaches the traveling wave solution at the ratet ^– (for some>0) ast, provided that the initial disturbance is small and of integral zero, and in addition decays at an algebraic rate for |x|. 2) The traveling wave solution with Nishida and Smoller's condition of the system of a viscous heat-conductive ideal gas is asymptotically stable, provided the initial disturbance is small and of integral zero. 3) The traveling wave solution with weak shock profile of the Broadwell model system of the Boltzmann equation is asymptotically stable, provided the initial disturbance is small and its hydrodynamical moments are of integral zero. Each proof is given by applying an elementary energy method to the integrated system of the conservation form of the original one. The property of integral zero of the initial disturbance plays a crucial role in this procedure.