Urey-Bradley potential function for the in-plane vibrations of boric acid

The Urey-Bradley force constants for the in-plane vibrations of the boric acid molecule are calculated using the Wilson's F-G matrix method. They are as follows: KO-H=5·23, KB-O=4·94, HBOH=0·36, {Mathematical expression}, F00=0·68 and FBH=0·98 in units of 105 dynes/cm. Using the force constants, the frequencies are recalculated and the calculated values agree with the observed values satisfactorily. The in-plane vibrational frequencies of deuterated boric acid are also calculated and again satisfactory agreement with the observed values is found.

An exact analysis of free vibrations of simply-supported viscoelastic plates

In this paper an exact three-dimensional analysis for free vibrations of a class of simply-supported viscoelastic rectangular plates is given. The characteristic equation defining the eigenvalues is of closed form. Some numerical results are presented for standard linear solids. Results from thin plate and Mindlin theories are also given for the purpose of comparison.

Impulse-voltage breakdown characteristics of large gaps at low pressures

A study of the gap breakdown voltage characteristic at a low pressure of 7×10-5 Torr with a standard (1/50)-μsec impulse-voltage wave reveals an agreement with the criterion Vb=Cd0.5 suggested by Cranberg. Voltage-time-to-breakdown characteristics has also been determined. From these studies, it is concluded that impulse breakdown in vacuum is initiated by an electron current heating an anode spot and thereby liberating a clump which causes breakdown.

Lattice vibrations and specific heat of zinc blende

The dispersion relations, frequency distribution function and specific heat of zinc blende have been calculated using Houston's method on (1) A short range force (S. R.) model of the type employed in diamond by Smith and (2) A long range model assuming an effective charge Ze on the ions. Since the elastic constant data on ZnS are not in agreement with one another the following values were used in these calculations: {Mathematical expression}. As compared to the results on the S. R. model, the Coulomb force causes 1. A splitting of the optical branches at (000) and a larger dispersion of these branches; 2. A rise in the acoustic frequency branches the effect being predominant in a transverse acoustic branch along [110]; 3. A bridging of the gap of forbidden frequencies in the S. R. model; 4. A reduction of the moments of the frequency distribution function and 5. A flattening of the Θ- T curve. By plotting (Θ/Θ0) vs. T., the experimental data of Martin and Clusius and Harteck are found to be in perfect coincidence with the curve for the short range model. The values of the elastic constants deduced from the ratio Θ0 (Theor)/Θ0 (Expt) agree with those of Prince and Wooster. This is surprising as several lines of evidence indicate that the bond in zinc blende is partly covalent and partly ionic. The conclusion is inescapable that the effective charge in ZnS is a function of the wave vector {Mathematical expression}.

Normal vibrations of N,N-dimethylacetamide

Infrared and Raman spectra of N,N-dimethylacetamide (DMA) are recorded and the normal vibrational analysis of the DMA skeleton as well as the entire molecule carried out employing the Urey-Bradley and modified Urey-Bradley force fields. Vibrational frequencies are assigned on the basis of the normal coordinate calculations and are compared with those of related molecules. Infrared spectra of metal complexes are examined to substantiate the band assignments.

A novel approach for large-scale polypeptide folding based on elastic networks using continuous optimization

We present a new computationally efficient method for large-scale polypeptide folding using coarse-grained elastic networks and gradient-based continuous optimization techniques. The folding is governed by minimization of energy based on Miyazawa–Jernigan contact potentials. Using this method we are able to substantially reduce the computation time on ordinary desktop computers for simulation of polypeptide folding starting from a fully unfolded state. We compare our results with available native state structures from Protein Data Bank (PDB) for a few de-novo proteins and two natural proteins, Ubiquitin and Lysozyme. Based on our simulations we are able to draw the energy landscape for a small de-novo protein, Chignolin. We also use two well known protein structure prediction software, MODELLER and GROMACS to compare our results. In the end, we show how a modification of normal elastic network model can lead to higher accuracy and lower time required for simulation.

Large-scale structures in turbulent and reverse-transitional sink flow boundary layers

Aspects of large-scale organized structures in sink flow turbulent and reverse-transitional boundary layers are studied experimentally using hot-wire anemometry. Each of the present sink flow boundary layers is in a state of 'perfect equilibrium' or 'exact self-preservation' in the sense of Townsend (The Structure of Turbulent Shear Flow, 1st and 2nd edns, 1956, 1976, Cambridge University Press) and Rotta (Progr. Aeronaut. Sci., vol. 2, 1962, pp. 1-220) and conforms to the notion of 'pure wall-flow' (Coles, J. Aerosp. Sci., vol. 24, 1957, pp. 495-506), at least for the turbulent cases. It is found that the characteristic inclination angle of the structure undergoes a systematic decrease with the increase in strength of the streamwise favourable pressure gradient. Detectable wall-normal extent of the structure is found to be typically half of the boundary layer thickness. Streamwise extent of the structure shows marked increase as the favourable pressure gradient is made progressively severe. Proposals for the typical eddy forms in sink flow turbulent and reverse-transitional flows are presented, and the possibility of structural self-organization (i.e. individual hairpin vortices forming streamwise coherent hairpin packets) in these flows is also discussed. It is further indicated that these structural ideas may be used to explain, from a structural viewpoint, the phenomenon of soft relaminarization or reverse transition of turbulent boundary layers when subjected to strong streamwise favourable pressure gradients. Taylor's 'frozen turbulence' hypothesis is experimentally shown to be valid for flows in the present study even though large streamwise accelerations are involved, the flow being even reverse transitional in some cases. Possible conditions, which are required to be satisfied for the safe use of Taylor's hypothesis in pressure-gradient-driven flows, are also outlined. Measured convection velocities are found to be fairly close to the local mean velocities (typically 90% or more) suggesting that the structure gets convected downstream almost along with the mean flow.

Normal vibrations of N,N-dimethylacetamide

Infrared and Raman spectra of N,N-dimethylacetamide (DMA) are recorded and the normal vibrational analysis of the DMA skeleton as well as the entire molecule carried out employing the Urey-Bradley and modified Urey-Bradley force fields. Vibrational frequencies are assigned on the basis of the normal coordinate calculations and are compared with those of related molecules. Infrared spectra of metal complexes are examined to substantiate the band assignments.

Optimal reactive power dispatch based on voltage stability criteria in a large power system with AC/DC and FACTs devices

An algorithm for optimal allocation of reactive power in AC/DC system using FACTs devices, with an objective of improving the voltage profile and also voltage stability of the system has been presented. The technique attempts to utilize fully the reactive power sources in the system to improve the voltage stability and profile as well as meeting the reactive power requirements at the AC-DC terminals to facilitate the smooth operation of DC links. The method involves successive solution of steady-state power flows and optimization of reactive power control variables with Unified Power Flow Controller (UPFC) using linear programming technique. The proposed method has been tested on a real life equivalent 96-bus AC and a two terminal DC system under normal and contingency conditions.

Active vibration suppression of beams with discrete actuators using optimal dynamic inversion

Most of the structural elements like beams, cables etc. are flexible and should be modeled as distributed parameter systems (DPS) to represent the reality better. For large structures, the usual approach of 'modal representation' is not an accurate representation. Moreover, for excessive vibrations (possibly due to strong wind, earthquake etc.), external power source (controller) is needed to suppress it, as the natural damping of these structures is usually small. In this paper, we propose to use a recently developed optinial dynamic inversion technique to design a set of discrete controllers for this purpose. We assume that the control force to the structure is applied through finite number of actuators, which are located at predefined locations in the spatial domain. The method used in this paper determines control forces directly from the partial differential equation (PDE) model of the system. The formulation has better practical significance, both because it leads to a closed form solution of the controller (hence avoids computational issues) as well as because a set of discrete actuators along the spatial domain can be implemented with relative ease (as compared to a continuous actuator).

Simultaneous measurement of aerodynamic and heat transfer data for large angle blunt cones in hypersonic shock tunnel

Aerodynamic forces and fore-body convective surface heat transfer rates over a 60 degrees apex-angle blunt cone have been simultaneously measured at a nominal Mach number of 5.75 in the hypersonic shock tunnel HST2. An aluminum model incorporating a three-component accelerometer-based balance system for measuring the aerodynamic forces and an array of platinum thin-film gauges deposited on thermally insulating backing material flush mounted on the model surface is used for convective surface heat transfer measurement in the investigations. The measured value of the drag coefficient varies by about +/-6% from the theoretically estimated value based on the modified Newtonian theory, while the axi-symmetric Navier-Stokes computations overpredict the drag coefficient by about 9%. The normalized values of measured heat transfer rates at 0 degrees angle of attack are about 11% higher than the theoretically estimated values. The aerodynamic and the heat transfer data presented here are very valuable for the validation of CFD codes used for the numerical computation of How fields around hypersonic vehicles.

Observation of a large coupling of a bound dihydrogen ligand to phosphorus ligands in trans-[(dppe)(2)Ru(eta(2)-H-2) (PF(OMe)(2))][BF4](2) complex

A new dicationic dihydrogen complex of the type trans-[(dppe)(2)Ru(eta (2)-H-2)(PF(OMe)(2))]BF4](2) has been prepared and characterized. A large coupling of about 50 Hz between the H-2 and trans-phosphorus ligand in this complex has been observed.

Breakdown in p‐n junction diodes made on polycrystalline silicon of large grain size

This communication describes the voltage‐current characteristics in the breakdown region of p‐n junctions made on polycrystalline silicon of large grain size. The observed soft breakdown characteristics have been explained by taking into account the effect of curvature of the junction near the grain boundaries.

Low-Complexity Near-ML Decoding of Large Non-Orthogonal STBCs using Reactive Tabu Search

Non-orthogonal space-time block codes (STBC) with large dimensions are attractive because they can simultaneously achieve both high spectral efficiencies (same spectral efficiency as in V-BLAST for a given number of transmit antennas) as well as full transmit diversity. Decoding of non-orthogonal STBCs with large dimensions has been a challenge. In this paper, we present a reactive tabu search (RTS) based algorithm for decoding non-orthogonal STBCs from cyclic division algebras (CDA) having largedimensions. Under i.i.d fading and perfect channel state information at the receiver (CSIR), our simulation results show that RTS based decoding of 12 X 12 STBC from CDA and 4-QAM with 288 real dimensions achieves i) 10(-3) uncoded BER at an SNR of just 0.5 dB away from SISO AWGN performance, and ii) a coded BER performance close to within about 5 dB of the theoretical MIMO capacity, using rate-3/4 turbo code at a spectral efficiency of 18 bps/Hz. RTS is shown to achieve near SISO AWGN performance with less number of dimensions than with LAS algorithm (which we reported recently) at some extra complexity than LAS. We also report good BER performance of RTS when i.i.d fading and perfect CSIR assumptions are relaxed by considering a spatially correlated MIMO channel model, and by using a training based iterative RTS decoding/channel estimation scheme.