Vibrational spectroscopic studies of the ferroelectric LiRbSO4

Lithium rubidium sulphate, LiRbSO4 (LRS), undergoes a sequence of four phase transitions at 166, 185, 202 and 204°C. The phase between 202 and 204°C is incommensurate. Polarized phonon Raman spectra in the frequency region of 50-1200 cm-1 are presented to identify the external and internal vibrational modes at room temperature. The internal mode frequencies of the sulphate ions are presented in the temperature region from -150 to 230°C covering all the phase transitions. The total integrated areas of the 1, 2 and 4 modes show an anomalous increase across the phase transitions. The frequencies of the symmetric stretching (1) and symmetric bending (2) modes do not show any changes at the phase transitions, but the width of the 2 mode shows changes across the phase transitions. A small increase in the linewidth of the 2 mode observed in the incommensurate phase is attributed to the influence of the incommensurate modulation wave. A DSC thermogram showed endothermic peaks during heating at all the phase transitions. The IR spectrum recorded at room temperature showed the expected Au and Bu internal modes.

Surface modes of coated semiconductor spheres

The frequencies of the two modes of surface plasmon oscillations exhibited by coated semiconductor spheres can either decrease or increase with the size of the particle depending upon the ratio ωh1/ωh2, ε∞1 and ε∞2. When ωh1 = ωh2, the soft mode frequency becomes independent of the size of the sphere.

Intensity of a Raman Overtone Band

Placzek [1] was the first to derive general expressions for the intensities of overtones in case of Raman scattering. He assumed electrical anharmonicity. However, he left the expressions for the derivations of the polarizability tensor undetermined. In 1941, a classical and semiempirical theory was developed by Wolkenstein [2]. He assumed the validity of the additivity of bond polarizabilities. However, the expressions derived by him for the intensities of overtones remain yet to be verified. It is the purpose of this paper to derive a formula for Raman polarizability tensor for overtones of (intramolecular) vibrational spectra along the lines of Kondilenko et al. [3,4].

Degenerate surface modes in a magnetized plasma

Electromagnetic surface waves propagating along the plasma-vacuum interface parallel to an applied magnetic field are studied. New modes for which the field components are degenerate, not reported in the earlier investigation of Kotsarenko and Fedorchenko (1969), are found and discussed. These modes, which propagate up to the plasma frequency for all values of the magnetic field, start as forward waves at low frequency but smoothly change into the backward mode as the frequency increases.

Localised spin wave modes in a Heisenberg ferromagnet with biquadratic interaction

The presence of biquadratic exchange in a one-dimensional ferromagnetic Heisenberg chain with an impurity spin is shown to change the nature of the impurity modes and its eigenvalues considerably which can be observed experimentally.

Infrared and Raman spectra of 2,4-dithiobiuret and its normal vibrations

The infrared spectra of 2,4-dithiobiuret(DTB), N-deuterated dithiobiuret(DTB-d5) and the laser Raman spectrum of DTB are reported. Normal coordinate treatments of DTB and DTB-d5 have been carried out to aid the assignment of the vibrational frequencies. A trans—cis conformation is favoured for DTB molecule in the solid state.

Studies on Plant Demography: Ranunculus Repens L., R. Bulbosus L. and R. Acris L.: III. A Mathematical Model Incorporating Multiple Modes of Reproduction

This paper presents a comparative population dynamics study of three closely related species of buttercups (Ranunculus repens, R. acris, and R. bulbosus). The study is based on an investigation of the behaviour of the seeds in soil under field conditions and a continuous monitoring of survival and reproduction of some 9000 individual plants over a period of 21/2 years in a coastal grassland in North Wales. The data were analysed with the help of an extension of Leslie's matrix method which makes possible an simultaneous treatment of vegetative and sexual reproduction. It was found that R. repens (a) depends more heavily on vegetative as compared with sexual reproduction, (b) shows indications of negatively density-dependent population regulation, and (c) exhibits little variation in population growth rates from site to site and from one year to the next. In contrast, R. bulbosus (a) depends exclusively on sexual reproduction, (b) shows indications of a positively density-dependent population behaviour, and (c) exhibits great variation in population growth rates from site to site and from one year to the next. R. acris exhibits an intermediate behaviour in all these respects. It is suggested that the attributes of R. repens are those expected of a species inhabiting a stable environment, while R. bulbosus exhibits some of the characteristics of a fugitive species.

Modes of deformation in aluminium rings subjected to static axial compression

Aluminium rings of varying Image Image diameter ratios machined from extruded solid bars, were subjected to static axial compression. Etched diametral planes of deformed cylinders revealed the existence of shear bands, the configuration of which were found to change with initial specimen geometry and deformation.

Low-frequency degenerate surface modes of an electron-hole plasma

The computations of Flahive and Quinn1 of the dispersion curves of low frequency degenerate surface (DS) modes propagating along the magnetic field in an electron-hole plasma are extended to higher values of the wavenumber. We find that beyond a certain value of the wavenumber the DS mode re-enters the allowed region of surface wave propagation and tends to an asymptotic frequency ωR (<ωLH). These low frequency resonances of an electron-hole plasma are discussed with reference to the experimental observations.

Structural Modes of Stabilization of Permissive Phosphorylation Sites in Protein Kinases: Distinct Strategies in Ser/Thr and Tyr Kinases

Protein kinases phosphorylate several cellular proteins providing control mechanisms for various signalling processes. Their activity is impeded in a number of ways and restored by alteration in their structural properties leading to a catalytically active state. Most protein kinases are subjected to positive and negative regulation by phosphorylation of Ser/Thr/Tyr residues at specific sites within and outside the catalytic core. The current review describes the analysis on 3D structures of protein kinases that revealed features distinct to active states of Ser/Thr and Tyr kinases. The nature and extent of interactions among well-conserved residues surrounding the permissive phosphorylation sites differ among the two classes of enzymes. The network of interactions of highly conserved Arg preceding the catalytic base that mediates stabilization of the activation segment exemplifies such diverse interactions in the two groups of kinases. The N-terminal and the C-terminal lobes of various groups of protein kinases further show variations in their extent of coupling as suggested from the extent of interactions between key functional residues in activation segment and the N-terminal αC-helix. We observe higher similarity in the conformations of ATP bound to active forms of protein kinases compared to ATP conformations in the inactive forms of kinases. The extent of structural variations accompanying phosphorylation of protein kinases is widely varied. The comparison of their crystal structures and the distinct features observed are hoped to aid in the understanding of mechanisms underlying the control of the catalytic activity of distinct subgroups of protein kinases.

Free vibration of rectangular plates of arbitrary thickness with one or more edges clamped

Frequencies of free vibration of rectangular plates of arbitrary thickness, with different support conditions, are calculated by using the Method of Initial Functions (MIF), proposed by Vlasov. Sixth and fourth order MIF theories are used for the solution. Numerical results are presented for three square plates for three thickness ratios. The support conditions considered are (i) three sides simply supported and one side clamped, (ii) two opposite sides simply supported and the other two sides clamped and (iii) all sides clamped. It is found that the results produced by the MIF method are in fair agreement with those obtained by using other methods. The classical theory gives overestimates of the frequencies and the departures from the MIF results increase for higher modes and larger thickness ratios.

Mechanisms of molecular doping of graphene: A first-principles study

Doping graphene with electron donating or accepting molecules is an interesting approach to introduce carriers into it, analogous to electrochemical doping accomplished in graphene when used in a field-effect transistor. Here, we use first-principles density-functional theory to determine changes in the electronic-structure and vibrational properties of graphene that arise from the adsorption of aromatic molecules such as aniline and nitrobenzene. Identifying the roles of various mechanisms of chemical interaction between graphene and a molecule, we bring out the contrast between electrochemical and molecular doping of graphene. Our estimates of various contributions to shifts in the Raman-active modes of graphene with molecular doping are fundamental to the possible use of Raman spectroscopy in (a) characterization of the nature and concentration of carriers in graphene with molecular doping, and (b) graphene-based chemical sensors.

Comparison of the Radar and Seeker Modes of Pursuer Guidance

This paper compares closed-loop performance of seeker-based and radar-based estimators for surface-to-air interception through 6-degree-of-freedom simulation using proportional navigation guidance.Ground radar measurements are evader range, azimuth and elevation angles contaminated by Gaussian noise. Onboard seeker measurements are pursuer-evader relative range, range rate also contaminated by Gaussian noise. The gimbal angles and line-of-sight rates in the gimbal frame,contaminated by time-correlated non-Gaussian noise with realistic numerical values are also available as measurements. In both the applications, extended Kalman filter with Gaussian noise assumption are used for state estimation. For a typical engagement, it is found that,based on Monte Carlo studies, seeker estimator outperforms radar estimator in terms of autopilot demand and reduces the miss distance.Thus, a seeker estimator with white Gaussian assumption is found to be adequate to handle the measurements even in the presence of non-Gaussian correlated noise. This paper uses realistic numerical values of all noise parameters.

Slow pressure modes in thin accretion discs

Thin accretion discs around massive compact objects can support slow pressure modes of oscillations in the linear regime that have azimuthal wavenumber m = 1. We consider finite, flat discs composed of barotropic fluid for various surface density profiles and demonstrate through WKB analysis and numerical solution of the eigenvalue problem - that these modes are stable and have spatial scales comparable to the size of the disc. We show that the eigenvalue equation can be mapped to a Schrodinger like equation. The analysis of this equation shows that all eigenmodes have discrete spectra. We find that all the models we have considered support negative frequency eigenmodes; however, the positive eigenfrequency modes are only present in power-law discs, albeit for physically uninteresting values of the power-law index beta and barotropic index gamma.