Rotational spectra, nuclear quadrupole hyperfine tensors, and conformational structures of the mustard gas simulent 2-chloroethyl ethyl sulfide

Rotational spectra have been recorded for both the ³⁵Cl and ³⁷Cl isotopic forms of two structural conformations of 2-chloroethyl ethyl sulfide (CEES). The rotational constants of the ³⁵Cl and ³⁷Cl isotopomers were used to identify the conformational isomers. A total of 236 hyperfine transitions have been assigned for 47 rotational transitions of the ³⁵Cl isotope of a GGT conformer, and 146 hyperfine have been assigned for 37 rotational transitions of the ³⁷Cl isotopomer. For the second conformer, a total of 128 (110) hyperfine and 30 (28) rotational transitions have also been assigned to the ³⁵Cl (³⁷Cl) isotopes of a TGT conformation. The extensive hyperfine splitting data, measured to high resolution with a compact Fourier transform microwave spectrometer, were used to determine both the diagonal and off-diagonal elements of the ³⁵Cl and ³⁷Cl nuclear quadrupole coupling tensors in the inertial tensor principal axis system. The experimental rotational constant data, as well as the ³⁵Cl and ³⁷Cl nuclear quadrupole coupling tensors, were compared to the results from 27 optimized ab initio (HF/6-311++G^∗∗ and MP2/6-311++G^∗∗) model structures.     

Rotational analysis of 3664 Å band of NiCl

Nickel chloride was excited in a high frequency discharge source and the band at 3664 Å was photographed at an inverse dispersion of 0.59 Å/mm on a two metre plane grating spectrograph. The rotational analysis was carried out and the molecular constants of the upper state are reported. The rotational isotopic shifts due to³⁷Cl support the rotational analysis. The electronic transition involved is identified to beβ ²Δ_5/2 →X ₁ ²Δ_5/2.     

Laser-induced Alignment and Coulomb Explosion of CO2

Dynamic processes of CO2 are experimentally studied in intense femtosecond laser fields with laser intensity varying from 1×10^13 W/cm^2 to 6×10^14 W/cm^2. When the laser intensity is below the ionization threshold, a coherent rotational wave-packet is formed for CO2 at room temperature through nonadiabatic rotational excitation. The evolution of the wave-packet leads to transient alignment. The field-free alignment revives periodically after the laser pulse is over. The revival structure can be modified by a second laser pulse for the rotational wave-packet through precisely adjusting the time delays between the two laser pulses. When the laser intensity excesses the ionization threshold, ionization and Coulomb explosion occur. The atomic ions C^m＋ （re=1-3） and On＋ （n=1-3） observed in the experiment exhibit highly anisotropic angular distributions relative to the laser polarization. Using two linearly polarized laser pulses with crossed polarization, we conclude that the anisotropic angular distribution results from dynamic alignment, in which the rising edge of the laser pulse aligns the neutral CO2 along the laser polarization direction prior to ionization.     

Dielectric and electrooptical properties of hockey-stick-shaped liquid crystal with a negative dielectric anisotropy

We investigated dielectric properties of a hockey-stick-shaped liquid crystal (HLC). Two dielectric relaxation modes were observed at 0.91 kHz and 4.51 MHz. The low frequency relaxation modes in isotropic, smectic, and nematic phases are related to the motion of ions, collective tilt fluctuation, and rotation around the long molecular axis, respectively. Meanwhile, the high frequency relaxation modes in nematic and smectic phases was due to the rotation around the short axis of the molecules and hindered by the resistance of the ITO layers. We also examined the electrooptical response of the 5.0 wt% HLC-doped commercial nematic liquid crystal (LC) mixtures. The birefringence of the LC mixture was slightly increased, while the falling time and the rotational viscosity was decreased in the nematic phase.     

Traveling disturbance appearing in boundary layer transition in a Yawed cylinder

Boundary layers that develop over a body in fluid flow are in most cases three-dimensional owing to the spin, yaw, or surface curvature of the body. Therefore, the study of three-dimensional (3D) boundary-layer transition is essential to work in practical aerodynamics. The present investigation is concerned with the problem of 3D boundary layers over a yawed body. A yawed cylinder model that represents the leading edge portion of a swept wing and the mechanism of crossflow instability are investigated in detail using hot-wire velocimetry and a flow visualization technique. As a result, traveling disturbances having frequencies f₁ and f₂, which differ by about one order of magnitude, are detected in the transition region. The phase velocities and directions of travel of those disturbances are measured. Results for the low-frequency disturbance f₁ show qualitative coincidence with results numerically predicted for a crossflow unsteady disturbance. Nameley, F₁ travels nearly spanwise to the yawed cylinder and very close to the cylinder wall. The results for the high-frequency disturbance f₂ good agreement with the existing experimental results. The ₂ disturbance is found to be the high-frequency inflectional secondary instability that appears in 3D boundary layer transition in general. A two-stage transition process, where stationary crossflow vortices appear as the primary instability and a traveling inflectional disturbance is generated as a secondary instability, was observed. Secondary instability seems to play a major role in turbulent transition.     

Dissipative Heating of a Viscoelastic Cylinder under a Load Steadily Moving over Its Surface

The Fourier method is used to find the analytical solutions to two-dimensional quasistatic problems of stationary polyharmonic vibrations and dissipative heating of a linearly viscoelastic cylinder. The influence of the cylinder thickness and the width of the loading area on the thermomechanical state of the cylinder is studied based on numerical data__________Translated from Prikladnaya Mekhanika, Vol. 41, No. 2, pp. 23–32, February 2005.     

Role of the shape of various bacteria in their separation by Microthermal Field-Flow Fractionation

The steady-state movement of the spherical and non-spherical particles, such as prolate or oblate rotational ellipsoids, cylinders, or parallelepipeds, suspended in a liquid and exposed to a unidirectional temperature gradient, is analyzed theoretically. The differences in the ratios of the rotational to translational diffusion coefficients of the non-spherical to spherical particles, the heterogeneity of thermal conductivity of the particle body, and the heterogeneity in surface chemical nature make possible to separate the particles according to differences in shape. Preliminary experimental separations of Gram-positive and Gram-negative, nearly spherical and rod-shaped bacteria performed by Microthermal Field-Flow Fractionation confirmed that the fractionation of the cells according to differences in shape is possible.     

Improvements on open and traction boundary conditions for Navier–Stokes time-splitting methods

We present in this paper a numerical scheme for incompressible Navier–Stokes equations with open and traction boundary conditions, in the framework of pressure-correction methods. A new way to enforce this type of boundary condition is proposed and provides higher pressure and velocity convergence rates in space and time than found in the present state of the art. We illustrate this result by computing some numerical and physical tests. In particular, we establish reference solutions of a laminar flow in a geometry where a bifurcation takes place and of the unsteady flow around a square cylinder.     

High-resolution infrared spectrum of cyanogen

The high-resolution spectrum of cyanogen (¹⁴N¹²C¹²C¹⁴N) has been measured from 500 to 4900 cm⁻¹. For this isotopomer many combination levels with both degenerate fundamentals, ν₄ and ν₅, have been measured for the first time and the effects of vibrational l-type resonance are observed as well as rotational l-type resonance. The effects of the vibrational resonance coupling ν₂ and 2ν₄ have also been studied. The data have been combined with earlier measurements below 500 cm⁻¹ to give a comprehensive catalog of the vibrational energy levels and the rovibrational constants for the normal isotopomer of cyanogen. A comparison of the term value constants for the three major symmetric isotopomers is given and they are compared with a recent ab initio calculation. The present data were combined with earlier work on the two symmetric isotopomers, ¹³C₂¹⁴N₂ and ¹²C₂¹⁵N₂, to obtain the equilibrium bond lengths, r_CC = 138.109(60) pm and r_CN = 115.976(40) pm.     

Submillimeter-wave spectroscopy of the K = 2–1 subband of the Ne–CO complex

The pure rotational spectrum of the Ne–CO van der Waals complex has been measured in the frequency range of 208–230 GHz by using the Cologne supersonic jet spectrometer for terahertz applications (SuJeSTA). Eleven new transitions were assigned as belonging to two R- and two Q-branches of the K = 2–1 subband detected for the first time in the ground vibrational state of CO (ν_CO = 0). Improved molecular parameters of the Ne–CO complex were obtained which allowed for a sensitive test of the available intermolecular potential energy surfaces of the Ne–CO system.