Shock structure in a viscoelastic medium with a nonlinear dependence of the Maxwellian viscosity on the parameters of the material

The shock-profile structure in a viscoelastic medium with a nonlinear dependence of the Maxwellian viscosity (a quantity inverse to the tangential stress-relaxation time ) on the substance parameters is investigated in this paper on the basis of a model proposed in [1]. The presence of such a dependence of the relaxation time permitted the extraction of sections with an abrupt change in the quantities on the profile, called plastic waves, by using additional relationships. The model of the isotropic medium used is characterized by an equation of state in the form of a dependence of the density of the internal energy E per unit mass on the strain-tensor invariants and the entropy S.Translated from Zhurnal Prikladnoi Mekhaniki i Tekhnicheskoi Fiziki, No. 5, pp. 101–108, September–October, 1974.     

Variation in the wave resistance of an amphibian air-cushion vehicle moving over a broken-ice field

The nonstationary rectilinear motion of an amphibian air-cushion vehicle (AACV) on a water surface covered with finely broken ice is considered for various modes of velocity variation. The influence of the water depth, flotation parameters, and mode of motion on the wave resistance of the vehicle is analyzed. Maneuvering methods for increasing or decreasing the wave resistance of AACVs are proposed. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 48, No. 1, pp. 97–102, January–February, 2007.     

Hydrophobic/hydrophilic solvation: inferences from Monte Carlo simulations and experiments

In this study Monte Carlo simulations are used to determine the solvation properties of model hydrophobic (xenon and hard sphere) and hydrophilic (dimethyl ether) solutes in SPC/E water. Various contributions to the experimental solvation entropy, including the solvent reorganization entropy, have been determined. The main conclusion drawn, which is in accord with solubility data, is that poor solubility correlates with poor solute-water interaction. At room temperature, energy dominates the aqueous solubility of both hydrophobic and hydrophilic solutes, rather than entropy. However, at higher temperatures the solubility can pass through a minimum, and then entropy becomes dominant. Another interesting finding is the presence of larger than expected cavities in water. Two different simulation results support this finding. This unexpected hollow structure in water explains why a hard sphere solute is more soluble in water than in a comparable hard sphere or Lennard-Jones solvent. Hydrogen bonding causes water to aggregate into clusters that produce a few large cavities rather than many smaller cavities. The propensity for clustering also explains why water gives the illusion of being a low density liquid. Sufficient theoretical apparatus is developed to connect theoretical solvation properties to those measured by simulation and experiment. Finally, based on gas solubility, an intuitive hydrophobic/hydrophilic scale is developed.     

A molecular dynamics study of carbon dioxide in water: diffusion,structure and thermodynamics

Atomistic simulations are reported of a model of CO₂ in water. CO₂ is modelled by partial charges and Lennard-Jones interaction sites on each atom; the SPC/E model for water is used. Good agreement with experiment is found for the translational diffusion constants. The variation of the dynamics with the potential parameter was investigated. As expected, the orientational correlation times increase as the magnitude of the quadrupole moment is increased, but the translational diffusion constants are found to be surprisingly insensitive to the magnitude of the CO₂ quadrupole moment. The translational friction coefficient was resolved into electrostatic, Lennard-Jones and cross-terms; the Lennard-Jones contribution is found to be the largest. Varying the Lennard-Jones size parameter affects both translational and reorientational motion. In order to try to understand these results further, the variation of solvation free energy was investigated and the solvent structure around carbon dioxide was examined as the electrostatic and Lennard-Jones parameters were changed. The temperature dependence of the self-diffusion constant of pure SPC/E water was determined.     

Instability development on the charged free surface of a horizontal liquid layer with thermal convection

The instability of the charged free surface of a horizontal liquid layer heated from the solid bottom against excess electric charge is studied theoretically for the case in which this type of instability is combined with thermal-convective instability. The structure of the total spectrum of unstable wave flows and physical parameters influencing the structure of the spectrum are determined.     

Motion of a load over a floating sheet in a variable-depth pool

A straightline unsteady motion of a load over a floating elastic sheet in a pool whose depth changes in the direction of load motion is studied. The influence of the pool depth, sheet thickness, load size and intensity, and velocity of uniform motion on the amplitude and maximum deflection of the sheet is analyzed.     

The spin state of manganese atoms in Sr2MnSbO6 complex oxides

The magnetic susceptibility of Sr₂MnSbO₆ solid solutions in a Sr₂AlSbO₆ diamagnetic diluent is investigated. Variation in the magnetic characteristics with temperature and the solution concentration indicates the coexistence of two spin states of manganese atoms: low-spin and high-spin. The possibility of spin transitions is due to temperature-dependent local distortions in the crystal structure of the solutions.     

Influence of ice conditions on the effectiveness of the resonant method of breaking ice cover by submarines

This paper describes a numerical model for analyzing the stress-strain state of ice cover which has fractures of various widths caused by hydrodynamic loads due to submarine motion. Calculations and experiments were performed using the model of unbreakable ice, and the results were used to obtain dependences of the amplitude of deflections and stress in ice cover on the width of the ice fracture. The behavior of ice cover under wave loading was studied.     

Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene

A general, full-dimensional computational method for the accurate calculation of rotationally and vibrationally excited states of tetra-atomic molecules is further developed. The resulting computer program may be run in serial and parallel modes and is particularly appropriate for molecules executing wide-amplitude motions and isomerizations. An application to the isomerizing acetylene/vinylidene system is presented. Large-scale calculations using a coordinate system based on orthogonal satellite vectors have been performed in six dimensions and vibrational term values and wave functions for acetylene and vinylidene states up to approximately 23 000 cm(-1) above the potential minimum have been determined. This has permitted the characterization of acetylene and vinylidene states at and above the isomerization barrier. These calculations employ more extensive vibrational basis sets and hence consider a much higher density of states than in any variational calculations reported hitherto for this system. Comparison of the calculated density of states with that determined empirically suggests that our calculations are the most realistic achieved for this system to date. Indeed more states have been converged than in any previous study of this system. Calculations on lower lying excited states of acetylene based on HC-CH diatom-diatom coordinates give nearly identical results to those based on orthogonal satellite vectors. Comparisons are also made with calculations based on HH-CC diatom-diatom coordinates.