The structures of the ammonium halides

A comparison with the alkali halides suggests that all the ammonium halides should occur in the NaCl centre-of-mass structure. Experimentally, at room temperature and atmospheric pressure, only NH,1 crystallizes in this structure, while NH,F is found in the ZnO structure, and NH&I and NH,Br occur in the CsCl structure. We show that a distributed charge on the NH,+ ion can explain these structures. Taking charges of + 0.2e on each of the five atoms in NH,+, as suggested by other studies, we have recomputed the Madelung energy in the cases of interest. A full ionic theory including electrostatic, van der Waals and repulsive interactions then explains the centre-of-mass structures of all the four ammonium halides. The thermal and pressure transitions are also explained reasonably well. The calculated phase diagram of NH,F compares well with experiment. Barring the poorly understood NH,F(II) phase, which is beyond the scope of this work, the other features are in qualitative agreement. In particular, the theory correctly predicts a pressure transition at room temperature from the ZnO structure directly to the CsCl structure without an intermediate NaCl phase. A feature of our approach is that we do not need to invoke hydrogen bonding in NH,F.

Mixed valency in the high-temperature phases of transition metal molybdates,AMoO4 (A=Fe, Co, Ni)

Transition metal molybdates of the formulaAMoO4 whereA=Fe, Co or Ni exhibit a first-order phase transition between 670K–970K. An investigation of the lowtemperature (lt) and high-temperature (ht) phases by x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, magnetic susceptibility and other physical methods shows that the phase transition is associated with a valence change of the typeA 2++Mo6+αA 3++Mo5+ in the cases of iron and cobalt molybdates.

Finite element analysis of moving contact in mechanically fastened joints

The Finite Element Method (FEM) has made a number of otherwise intractable problems solvable. An important aspect for achieving an economical and accurate solution through FEM is matching the formulation and the computational organisation to the problem. This was realised forcefully in the present case of the solution of a class of moving contact boundary value problems of fastener joints. This paper deals with the problem of changing contact at the pin-hole interface of a fastener joint. Due to moving contact, the stresses and displacements are nonlinear with load. This would, in general, need an interactive-incremental approach for solution. However, by posing the problem in an inverse way, a solution is sought for obtaining loads to suit given contact configuration. Numerical results are given for typical isotropic and composite plates with rigid pins. Two cases of loading are considered: (i) load applied only at the edges of the plate and (ii) load applied at the pin and reacted at a part of the edge of the plate. Load-contact relationships, compliance and stress-patterns are investigated. This paper clearly demonstrates the simplification achieved by a suitable formulation of the problem. The results are of significance to the design and analysis of fastener joints.

Finite element analysis of moving contact in mechanically fastened joints

The Finite Element Method (FEM) has made a number of otherwise intractable problems solvable. An important aspect for achieving an economical and accurate solution through FEM is matching the formulation and the computational organisation to the problem. This was realised forcefully in the present case of the solution of a class of moving contact boundary value problems of fastener joints. This paper deals with the problem of changing contact at the pin-hole interface of a fastener joint. Due to moving contact, the stresses and displacements are nonlinear with load. This would, in general, need an interactive-incremental approach for solution. However, by posing the problem in an inverse way, a solution is sought for obtaining loads to suit given contact configuration. Numerical results are given for typical isotropic and composite plates with rigid pins. Two cases of loading are considered: (i) load applied only at the edges of the plate and (ii) load applied at the pin and reacted at a part of the edge of the plate. Load-contact relationships, compliance and stress-patterns are investigated. This paper clearly demonstrates the simplification achieved by a suitable formulation of the problem. The results are of significance to the design and analysis of fastener joints.

Solution of a generalized Korteweg—de Vries equation

The solitary-wavelike solution of the generalized Korteweg-de Vries equation with mixed nonlinearity is obtained. Two asymptotic cases of the solution have been discussed and solitary wave solutions have been derived. ©1974 American Institute of Physics.

Solution of a generalized Korteweg-de Vries equation

The solitary-wavelike solution of the generalized Korteweg-de Vries equation with mixed nonlinearity is obtained. Two asymptotic cases of the solution have been discussed and solitary wave solutions have been derived.

Stability of large flexible damped spacecraft modeled as elastic continua

Vibrational stability of a large flexible, structurally damped spacecraft subject to large rigid body rotations is analysed modelling the system as an elastic continuum. Using solution of rigid body attitude motion under torque free conditions and modal analysis, the vibrational equations are reduced to ordinary differential equations with time-varying coefficients. Stability analysis is carried out using Floquet theory and Sonin-Polya theorem. The cases of spinning and non-spinning spacecraft idealized as a flexible beam plate undergoing simple structural vibration are analysed in detail. The critical damping required for stabilization is shown to be a function of the spacecraft's inertia ratio and the level of disturbance.

Miconazole in the treatment of superficial mycoses

Miconazole nitrate (2%) cream was evaluated in the treatment of superficial mycoses. Out of 116 patients having multiple clinical diagnoses, 66 cases were found to be positive by culture. Species of Trichophyton were the predominant etiological agents (in over 60%) followed by Candida species (20%) and Epidermophyton floccosum (15%). All the cases selected for study were followed up to a period of 4–18 months. A cure rate of 94.6 per cent was observed in all the cases where causal organisms were isolated. Significantly high cure rate (66%) was also seen in cases where causal organisms could not be isolated, including cases of tinea versicolor. Results of mycological examination were in confirmity with the clinical results

Decoupling in non-linear systems with two degrees of freedom

The problem of decoupling a class of non-linear two degrees of freedom systems is studied. The coupled non-linear differential equations of motion of the system are shown to be equivalent to a pair of uncoupled equations. This equivalence is established through transformation techniques involving the transformation of both the dependent and independent variables. The sufficient conditions on the form of the non-linearity, for the case wherein the transformed equations are linear, are presented. Several particular cases of interest are also illustrated.

Effect of membrane action on the plastic collapse load of circular orthotropic slabs with fixed edges

In the case of reinforced concrete slabs fixed at the boundaries, considerable enhancement in the load carrying capacity takes place due to compressive membrane action. In this paper a method is presented to analyse the effects of membrane action in fixed orthotropic circular slabs, carrying uniformly distributed loads. Depending on the radial moment capacity being greater or less than the circumferential moment capacity, two cases of orthotropy have been considered. Numerical results are worked out for certain assumed physical parameters and for different coefficients of orthotropy. Variations of load and bending moments with the central deflection are presented.

Recognition of Interaction Interface Residues in Low-Resolution Structures of Protein Assemblies Solely from the Positions of C alpha Atoms

Background: The number of available structures of large multi-protein assemblies is quite small. Such structures provide phenomenal insights on the organization, mechanism of formation and functional properties of the assembly. Hence detailed analysis of such structures is highly rewarding. However, the common problem in such analyses is the low resolution of these structures. In the recent times a number of attempts that combine low resolution cryo-EM data with higher resolution structures determined using X-ray analysis or NMR or generated using comparative modeling have been reported. Even in such attempts the best result one arrives at is the very course idea about the assembly structure in terms of trace of the C alpha atoms which are modeled with modest accuracy. Methodology/Principal Findings: In this paper first we present an objective approach to identify potentially solvent exposed and buried residues solely from the position of C alpha atoms and amino acid sequence using residue type-dependent thresholds for accessible surface areas of C alpha. We extend the method further to recognize potential protein-protein interface residues. Conclusion/Significance: Our approach to identify buried and exposed residues solely from the positions of C alpha atoms resulted in an accuracy of 84%, sensitivity of 83-89% and specificity of 67-94% while recognition of interfacial residues corresponded to an accuracy of 94%, sensitivity of 70-96% and specificity of 58-94%. Interestingly, detailed analysis of cases of mismatch between recognition of interface residues from C alpha positions and all-atom models suggested that, recognition of interfacial residues using C alpha atoms only correspond better with intuitive notion of what is an interfacial residue. Our method should be useful in the objective analysis of structures of protein assemblies when positions of only C alpha positions are available as, for example, in the cases of integration of cryo-EM data and high resolution structures of the components of the assembly.

Charge transport in a Tomonaga-Luttinger liquid: Effects of pumping and bias

We study the current produced in a Tomonaga-Luttinger liquid by an applied bias and by weak, pointlike impurity potentials which are oscillating in time. We use bosonization to perturbatively calculate the current up to second order in the impurity potentials. In the regime of small bias and low pumping frequency, both the dc and ac components of the current have power-law dependences on the bias and pumping frequencies with an exponent 2K-1 for spinless electrons, where K is the interaction parameter. For K < 1/2, the current grows large for special values of the bias. For noninteracting electrons with K=1, our results agree with those obtained using Floquet scattering theory for Dirac fermions. We also discuss the cases of extended impurities and of spin-1/2 electrons.

Optimization of the distance between source and substrate for device-grade SnS films grown by the thermal evaporation technique

Tin monosulfide (SnS) films with varying distance between the source and substrate (DSS) were prepared by the thermal evaporation technique at a temperature of 300 degrees C to investigate the effect of the DSS on the physical properties. The physical properties of the as-deposited films are strongly influenced by the variation of DSS. The thickness, Sn to S at.% ratio, grain size, and root mean square (rms) roughness of the films decreased with the increase of DSS. The films grown at DSS = 10 and 15 cm exhibited nearly single-crystalline nature with low electrical resistivity. From Hall-effect measurements, it is observed that the films grown at DSS <= 15 cm have p-type conduction and the films grown at higher distances have n-type conduction due to the variation of the Sn/S ratio. The films grown at DSS = 15 cm showed higher optical band gap of 1.36 eV as compared with the films grown at other distances. The effect of the DSS on the physical properties of SnS films is discussed and reported.

Scattering polarization in the presence of magnetic and electric fields

The polarization of radiation by scattering on an atom embedded in combined external quadrupole electric and uniform magnetic fields is studied theoretically. Limiting cases of scattering under Zeeman effect, and Hanle effect in weak magnetic fields are discussed. The theory is general enough to handle scattering in intermediate magnetic fields (Hanle-Zeeman effect) and for arbitrary orientation of magnetic field. The quadrupolar electric field produces asymmetric line shifts, and causes interesting level-crossing phenomena either in the absence of an ambient magnetic field, or in its presence. It is shown that the quadrupolar electric field produces an additional depolarization in the Q/I profiles and rotation of the plane of polarization in the U/I profile over and above that arising from magnetic field itself. This characteristic may have a diagnostic potential to detect steady-state and time-varying electric fields that surround radiating atoms in solar atmospheric layers. (c) 2007 Elsevier Ltd. All rights reserved.

Strength design of composite beam using gradient and particle swarm optimization

This work addresses the optimum design of a composite box-beam structure subject to strength constraints. Such box-beams are used as the main load carrying members of helicopter rotor blades. A computationally efficient analytical model for box-beam is used. Optimal ply orientation angles are sought which maximize the failure margins with respect to the applied loading. The Tsai-Wu-Hahn failure criterion is used to calculate the reserve factor for each wall and ply and the minimum reserve factor is maximized. Ply angles are used as design variables and various cases of initial starting design and loadings are investigated. Both gradient-based and particle swarm optimization (PSO) methods are used. It is found that the optimization approach leads to the design of a box-beam with greatly improved reserve factors which can be useful for helicopter rotor structures. While the PSO yields globally best designs, the gradient-based method can also be used with appropriate starting designs to obtain useful designs efficiently. (C) 2006 Elsevier Ltd. All rights reserved.