Rotational spectrum of cyclohexyl sarin

The rotational spectrum of cyclohexyl sarin (also known as GF) has been measured in a jet-cooled expansion using Fourier transform microwave spectroscopy. Two spectra have been observed, each having splittings associated with the internal rotation of the CH₃P group. The observed V₃ barriers are similar in magnitude to those reported for other organophosphonate nerve agents. The two conformational structures of GF have been identified from comparisons of the observed rotational constants and dipole moment magnitudes with ab initio predictions at the MP2/6311G (d,p) level. These two structures are distinguished by the placement of the fluorophosphonate group at the equatorial and axial positions of the cyclohexane ring. The data also suggest that both conformers prefer a positioning of the FP group with the PO oxygen in an eclipsed orientation relative to the C₁ hydrogen on the ring.     

Nuclear hyperfine coupling interactions in the rotational spectra of the linear and bent isomers of HF-N2O

The rotational spectra of six isotopomers of the linear and bent isomers of HF-N₂O have been collected in the 7-18 GHz region with a Fourier transform microwave spectrometer. The nuclear hyperfine structure in the spectra produced by HF spin-spin coupling interaction and nuclear quadrupole coupling interactions due to the D nucleus of DF and the nuclei of N₂O have been resolved and analyzed. In the linear isomer, H in HF is bonded to the terminal N in N₂O. The NF bond lengths are 2.9808(2) Å for the HF-containing isotopomers and 2.9732(2) Å for the DF-containing isotopomers. The zero point angles are 23.1° for HF and 31-34° for N₂O. The hyperfine constants suggest that the HF bond is lengthened by 0.0105 Å upon complexation and that the electric field gradients of the two nitrogen nuclei in N₂O are perturbed differently in the complex. In the bent isomer, the hydrogen bond is formed between HF and O in N₂O. The intermolecular distances are 3.4942(2) Å for the HF-containing isotopomers and 3.4436(2) Å for the DF-containing isotopomers, with HF and N₂O forming angles of 34° and 46°, respectively, with the intermolecular axis. The nuclear quadrupole coupling constants of the two nitrogen nuclei do not indicate electric field gradient perturbation in this isomer.     

测定圆柱体杨氏模量的原理分析

分析了测量圆柱体弯曲形变杨氏模量的实验原理,得出了理论公式,将测量拉压形变、弯曲形变的杨氏模量以及扭转形变的剪切模量3个实验中样品形状统一成圆柱体.     

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用火花预电离辅助介质阻挡放电装置在大气压空气中实现了均匀的类辉光放电。通过用光谱模拟法和波尔兹曼图解法对N 2 第一负带系B2Σ→X 2Σ(0,0)带发射谱线的分析,对放电过程中N 2 的转动温度进行了诊断。研究了不同频率和放电模式下转动温度的变化规律,对由两种方法计算所得的温度进行了对比。实验结果表明,转动温度会随着外加频率的增加而缓慢的增加;当放电从类辉光模式变到丝状放电模式时,转动温度会有70K左右的升高。     

Development of rotational CARS for combustion diagnostics using a polarization approach

Rotational Coherent anti-Stokes Raman spectroscopy (CARS) has the last decades been developed into a useful tool for thermometry and concentration measurements in combustion. In this paper, we present a novel polarization approach of the technique, which will enhance its potential and widen the range of conditions at which it can be utilized. The theory of the polarization approach is described in detail. It is shown that by specific arrangement of the polarizations of the laser beams, total suppression of the non-resonant background signal can be obtained, and thus by probing only the resonant CARS signal the diagnostic utility of the technique increases. The main benefit of the approach is in situations where the non-resonant background signal is relatively high in comparison with the resonant signal. The high potential of polarization rotational CARS for thermometry is demonstrated in some illustrative examples, for example, nitrogen thermometry on the fuel side of diffusion flames, and carbon monoxide thermometry in the product gas of ethylene/oxygen/argon-flames.     

The millimeter wave rotational spectrum of pyruvic acid

The rotational spectrum of pyruvic acid has been investigated for the first time in the millimeter-wave region, at 160-314 GHz, and also in supersonic expansion, at 10-17.4 GHz. The analysis of the broadband spectra recorded in this work was carried out with the newly developed AABS software package for Assignment and Analysis of Broadband Spectra, and precise spectroscopic constants are reported for the ground state, the first excited state of the low-frequency skeletal torsional mode ν₂₄, and the first excited state of the methyl torsional mode ν₂₃. Limited results have also been obtained for several higher excited states. The dataset for the ground state currently exceeds 1500 lines and for both the A and E internal rotor sublevels spans the complete range of values of K_a at the mid values of J for the measured transitions. The results were analysed with three freely available computer programs employing different strategies for dealing with internal rotation and a comparative discussion of their merits is made.     

Microwave spectroscopy of furfural in vibrationally excited states

The results of microwave spectrum investigation of the excited vibrational states of furfural in the frequency range between 49 and 149 GHz are reported. In total 15 excited vibrational states (9 for trans-furfural and 6 for cis-furfural) were assigned and analyzed. Six of the 15 investigated states were assigned for the first time. Accurate values of rigid rotor and quartic centrifugal distortion constants of asymmetric top Hamiltonian have been determined for 13 excited states. Also for some states several sextic and octic level constants were needed in order to fit the data within experimental accuracy. The v_t = 3 and v_s = 1, v_a = 1 states of trans-furfural were found to be strongly perturbed and only rotational transitions with low K_a values can be reliably identified in this study.     

A local domain‐free discretization method for simulation of incompressible flows over moving bodies

This paper presents a local domain‐free discretization (DFD) method for the simulation of unsteady flows over moving bodies governed by the incompressible Navier–Stokes equations. The discretization strategy of DFD is that the discrete form of partial differential equations at an interior point may involve some points outside the solution domain. All the mesh points are classified as interior points, exterior dependent points and exterior independent points. The functional values at the exterior dependent points are updated at each time step by the approximate form of solution near the boundary. When the body is moving, only the status of points is changed and the mesh can stay fixed. The issue of ‘freshly cleared nodes/cells’ encountered in usual sharp interface methods does not pose any particular difficulty in the presented method. The Galerkin finite‐element approximation is used for spatial discretization, and the discrete equations are integrated in time via a dual‐time‐stepping scheme based on artificial compressibility. In order to validate the present method for moving‐boundary flow problems, two groups of flow phenomena have been simulated: (1) flows over a fixed circular cylinder, a harmonic in‐line oscillating cylinder in fluid at rest and a transversely oscillating cylinder in uniform flow; (2) flows over a pure pitching airfoil, a heaving–pitching airfoil and a deforming airfoil. The predictions show good agreement with the published numerical results or experimental data. Copyright © 2010 John Wiley & Sons, Ltd.     

Three‐dimensional computation for flow‐induced vibrations in in‐line and cross‐flow directions of a circular cylinder

We present numerical results for in‐line and cross‐flow vibrations of a circular cylinder, which is immersed in a uniform flow and is elastically supported by damper‐spring systems to compute vibrations of a rigid cylinder. In the case of a circular cylinder with a low Scruton number, it is well‐known that two types of self‐excited vibrations appear in the in‐line direction in the range of low reduced velocities. On the other hand, a cross‐flow vibration of the circular cylinder can be excited in the range of high reduced velocities. Therefore, we compute the flow‐induced vibrations of the circular cylinder in the wide range of the reduced velocities at low and high Scruton numbers and discuss about excitation mechanisms in the in‐line and cross‐flow directions. Copyright © 2011 John Wiley & Sons, Ltd.     

Dispersion of elastic waves in the contact-impact problem of a long cylinder

Numerical dispersion of two-dimensional finite elements was studied. The outcome of the dispersion study was verified by the numerical and analytical solutions to the longitudinal impact of two long cylindrical bars. In accordance with the results of the dispersion analysis it was demonstrated that the quadratic elements showed better accuracy than the linear ones.