Bioleaching of sulphides under applied potentials

The influence of applied DC potentials on the activity and growth of Thiobacillus ferrooxidans, as well as on the dissolution behaviour of some base metal sulphides is discussed with reference to bioleaching. Selective bioleaching of zinc from sphalerite could be achieved under an applied potential of −500 mV (saturated calomel electrode) from binary mineral mixtures containing the zinc mineral and chalcopyrite or pyrite. On the other hand, bioleaching of pyrite and chalcopyrite was found to be enhanced under positive potentials of +400 mV and +600 mV, respectively. Probable mechanisms in the electrobioleaching of sulphides are examined with respect to galvanic, microbiological and applied potential effects.

Paradoxical reflection in quantum mechanics

This article concerns a phenomenon of elementary quantum mechanics that is quite counter-intuitive, very non-classical, and apparently not widely known: a quantum particle can get reflected at a downward potential step. In contrast, classical particles get reflected only at upward steps. The conditions for this effect are that the wave length is much greater than the width of the potential step and the kinetic energy of the particle is much smaller than the depth of the potential step. This phenomenon is suggested by non-normalizable solutions to the time-independent Schroedinger equation, and we present evidence, numerical and mathematical, that it is also indeed predicted by the time-dependent Schroedinger equation. Furthermore, this paradoxical reflection effect suggests, and we confirm mathematically, that a quantum particle can be trapped for a long time (though not forever) in a region surrounded by downward potential steps, that is, on a plateau.

Molecular dynamics simulations on parallel and antiparallel C.G*G triplexes

Molecular dynamics (MD) studies have been carried out on the Hoogsteen hydrogen bonded parallel and the reverse Hoogsteen hydrogen banded antiparallel C.G*G triplexes. Earlier, the molecular mechanics studies had shown that the parallel structure was energetically more favourable than the antiparallel structure. To characterize the structural stability of the two triplexes and to investigate whether the antiparallel structure can transit to an energetically more favourable structure, due to the local fluctuations in the structure during the MD simulation, the two structures were subjected to 200ps of constant temperature vacuum MD simulations at 300K. Initially no constraints were applied to the structures and it was observed that for the antiparallel tripler, the structure showed a large root mean square deviation from the starting structure within the first 12ps and the N4-H41-O6 hydrogen bond in the WC duplex got distorted due to a high propeller twist and a moderate increase in the opening angle in the basepairs. Starting from an initial value of 30 degrees, helical twist of the average structure from this simulation had a value of 36 degrees, while the parallel structure stabilized at a twist of 33 degrees. In spite of the hydrogen bond distortions in the antiparallel tripler, it was energetically comparable to the parallel tripler. To examine the structural characteristics of an undistorted structure, another MD simulation was performed on the antiparallel tripler by constraining all the hydrogen bonds. This structure stabilized at an average twist of 33 degrees. In the course of the dynamics though the energy of the molecule - compared to the initial structure - improved, it did not become comparable to the parallel structure. Energy minimization studies performed in the presence of explicit water and counterions also showed the two structures to be equally favourable energetically Together these results indicate that the parallel C.G*G tripler with Hoogsteen hydrogen bonds also represents a stereochemically and energetically favourable structure for this class of triplexes.

Molecular Mechanics Studies of Homopolymeric and Mixed Sequence Py.Pu*Pu Triple Helices,

DNA triple helices containing two purine strands and one pyrimidine strand (C.G*G and T.A*A) have been studied, using model building followed by energy minimisation, for different orientations of the third strand resulting from variation in the hydrogen bonding between the Watson-Crick duplex and the third strand and the glycosidic torsion angle in the third strand. Our results show that in the C.G*G case the structure with a parallel orientation of the third strand, resulting from Hoogsteen hydrogen bonds between the third strand and the Watson-Crick duplex, is energetically the most favourable while in the T.A*A case the antiparallel orientation of the third strand, resulting from reverse Hoogsteen hydrogen bonds, is energetically the most favourable. These studies when extended to the mixed sequence triplexes, in which the second strand is a mixture of G and A, correspondingly the third strand is a mixture of G and APT, show that though the parallel orientation is still energetically more favourable, the antiparallel orientation becomes energetically comparable with an increasing number of thymines in the third strand. Structurally, for the mixed triplexes containing G and T in the third strand, it is seen that the basepair non-isomorphism between the C.G*G and the T.A*T triplets can be overcome with some changes in the base pair parameters without much distortion of either the backbone or the hydrogen bonds.

Chiral polyhydroxylated tetrahydrothiophene derivatives: novel synthesis and structural elucidation by X-ray crystallography, NMR spectroscopy and molecular mechanics calculations

The dideoxygenation reaction of 1,3;4,6-di-O-alkylidene-2,5-di-S-methylthiocarbonyl-D-mannitol derivatives under Barton-McCombie reaction conditions gave the hexahydrodipyranothiophenes 4 and 7 instead of the expected 2,5-dideoxy products. Structural and conformational information on these novel derivatives has been obtained by NMR spectroscopy, single-crystal X-ray crystallography and molecular mechanics calculations.

Snapthrough instability of a stochastic a von Mises truss

A von Mises truss with stochastically varying material properties is investigated for snapthrough instability. The variability of the snap-through load is calculated analytically as a function of the material property variability represented as a stochastic process. The bounds are established which are independent of the knowledge of the complete description of correlation structure which is seldom possible using the experimental data. Two processes are considered to represent the material property variability and the results are presented graphically. Ein von Mises Fachwerk mit stochastisch verteilten Materialeigenschaften wird bezüglich der Durchschlagsinstabilität untersucht. Die Spannbreite der Durchschlagslast wird analytisch als Funktion der Spannbreite der Materialeigenschaften berechnet, die stochastisch verteilt angenommen werden. Eine explizite Gesamtbeschreibung der Struktur ist bei Benutzung experimenteller Daten selten möglich. Deshalb werden Grenzen für die Durchschlagskraft entwickelt, die von der Kenntnis dieser Gesamtbeschreibung unabhängig sind. Zwei Grenzfälle werden betrachtet, um die Spannbreite der Materialeigenschaften darzustellen. Die Ergebnisse werden grafisch dargestellt.

The Reproducing Kernel DMS-FEM: 3D Shape Functions and Applications to Linear Solid Mechanics

We propose a family of 3D versions of a smooth finite element method (Sunilkumar and Roy 2010), wherein the globally smooth shape functions are derivable through the condition of polynomial reproduction with the tetrahedral B-splines (DMS-splines) or tensor-product forms of triangular B-splines and ID NURBS bases acting as the kernel functions. While the domain decomposition is accomplished through tetrahedral or triangular prism elements, an additional requirement here is an appropriate generation of knotclouds around the element vertices or corners. The possibility of sensitive dependence of numerical solutions to the placements of knotclouds is largely arrested by enforcing the condition of polynomial reproduction whilst deriving the shape functions. Nevertheless, given the higher complexity in forming the knotclouds for tetrahedral elements especially when higher demand is placed on the order of continuity of the shape functions across inter-element boundaries, we presently emphasize an exploration of the triangular prism based formulation in the context of several benchmark problems of interest in linear solid mechanics. In the absence of a more rigorous study on the convergence analyses, the numerical exercise, reported herein, helps establish the method as one of remarkable accuracy and robust performance against numerical ill-conditioning (such as locking of different kinds) vis-a-vis the conventional FEM.

Transient Flow of a Compressible Viscous Fluid Near an Infinite Disk

We have consider ed the transient motion of art electrically conducting viscous compressible fluid which is in contact with an insulated infinite disk. The initial motion is considered to be due to the uniform rotation of the disk in an otherwise stationary fluid or due to the uniform rigid rotation of the fluid over a stationary disk. Different cases of transient motion due to finite impulse imparted either to the disk or to the distant fluid have been investigated. Effects of the imposed axial magnetic field and the disk temperature on the transient flow are included. The nonlinear partial differential equations governing the motion are solved numerically using an implicit finite-difference scheme along with the Newton's linearisation technique.

Fiber Bragg Grating Sensors for Real Time Monitoring of Evacuation Process

Fiber bragg grating (FBG) sensors have been widely used for number of sensing applications like temperature, pressure, acousto-ultrasonic, static and dynamic strain, refractive index change measurements and so on. Present work demonstrates the use of FBG sensors in in-situ measurement of vacuum process with simultaneous leak detection capability. Experiments were conducted in a bell jar vacuum chamber facilitated with conventional Pirani gauge for vacuum measurement. Three different experiments have been conducted to validate the performance of FBG sensor in monitoring vacuum creating process and air bleeding. The preliminary results of FBG sensors in vacuum monitoring have been compared with that of commercial Pirani gauge sensor. This novel technique offers a simple alternative to conventional method for real time monitoring of evacuation process. Proposed FBG based vacuum sensor has potential applications in vacuum systems involving hazardous environment such as chemical and gas plants, automobile industries, aeronautical establishments and leak monitoring in process industries, where the electrical or MEMS based sensors are prone to explosion and corrosion.

E. C. G. Sudarshan and Symmetry in Classical Dynamics, Optics and Quantum Mechanics

We review work initiated and inspired by Sudarshan in relativistic dynamics, beam optics, partial coherence theory, Wigner distribution methods, multimode quantum optical squeezing, and geometric phases. The 1963 No Interaction Theorem using Dirac's instant form and particle World Line Conditions is recalled. Later attempts to overcome this result exploiting constrained Hamiltonian theory, reformulation of the World Line Conditions and extending Dirac's formalism, are reviewed. Dirac's front form leads to a formulation of Fourier Optics for the Maxwell field, determining the actions of First Order Systems (corresponding to matrices of Sp(2,R) and Sp(4,R)) on polarization in a consistent manner. These groups also help characterize properties and propagation of partially coherent Gaussian Schell Model beams, leading to invariant quality parameters and the new Twist phase. The higher dimensional groups Sp(2n,R) appear in the theory of Wigner distributions and in quantum optics. Elegant criteria for a Gaussian phase space function to be a Wigner distribution, expressions for multimode uncertainty principles and squeezing are described. In geometric phase theory we highlight the use of invariance properties that lead to a kinematical formulation and the important role of Bargmann invariants. Special features of these phases arising from unitary Lie group representations, and a new formulation based on the idea of Null Phase Curves, are presented.

Cracks emanating from pin-loaded lugs

Pin-loaded lugs were analysed in the presence of cracks emanating from circular holes. The analysis presents a unified treatment of interference, push or clearance fit pins. Both metallic (isotropic) and composite (orthotropic) plates were dealt with. The finite element model used special singular six-noded quadrilateral elements at the crack tip. The non-linear load contact behaviour at the pin-hole interface was dealt with by an inverse technique. A modified crack closure integral (MCCI) technique was used to evaluate the strain energy release rates (SERRs) and stress intensity factors (SIFs) at the crack tips. Numerical results are presented showing the non-linear variation of SIF with applied stress, and the influence of the amount of interference or clearance and the interfacial friction on SIF.

A novel method for diameter estimation of small opaque objects using Fraunhofer diffraction

A novel optical method is proposed and demonstrated, for real-time dimension estimation of thin opaque cylindrical objects. The methodology relies on free-space Fraunhofer diffraction principle. The central region, of such tailored diffraction pattern obtained under suitable choice of illumination conditions, comprises of a pair of `equal intensity maxima', whose separation remains constant and independent of the diameter of the diffracting object. An analysis of `the intensity distribution in this region' reveals the following. At a point symmetrically located between the said maxima, the light intensity varies characteristically with diameter of the diffracting object, exhibiting a relatively stronger intensity modulation under spherical wave illumination than under a plane wave illumination. The analysis reveals further, that the said intensity variation with diameter is controllable by the illumination conditions. Exploiting these `hitherto unexplored' features, the present communication reports for the first time, a reliable method of estimating diameter of thin opaque cylindrical objects in real-time, with nanometer resolution from single point intensity measurement. Based on the proposed methodology, results of few simulation and experimental investigations carried-out on metallic wires with diameters spanning the range of 5 to 50 mu m, are presented. The results show that proposed method is well-suited for high resolution on-line monitoring of ultrathin wire diameters, extensively used in micro-mechanics and semiconductor industries, where the conventional diffraction-based methods fail to produce accurate results.

Unsteady free convection flow under the influence of a magnetic field

The unsteady free convection boundary layer at the stagnation point of a two-dimensional body and an axisymmetric body with prescribed surface heat flux or temperature has been studied. The magnetic field is applied parallel to the surface and the effect of induced magnetic field has been considered. It is found that for certain powerlaw distribution of surface heat flux or temperature and magnetic field with time, the governing boundary layer equations admit a self-similar solution locally. The resulting nonlinear ordinary differential equations have been solved using a finite element method and a shooting method with Newton's corrections for missing initial conditions. The results show that the skin friction and heat transfer coefficients, and x-component of the induced magnetic field on the surface increase with the applied magnetic field. In general, the skin friction, heat transfer and x-component of the induced magnetic field for axisymmetric case are more than those of the two-dimensional case. Also they change more when the surface heat flux or temperature decreases with time than when it increases with time. The skin friction, heat transfer and x-component of the induced magnetic field are significantly affected by the magnetic Prandtl number and they increase as the magnetic Prandtl number decreases. The skin friction and x-component of the magnetic field increase with the dissipation parameter, but heat transfer decreases.

Fracture Analysis of Concrete Structural Components Accounting for Tension Softening Effect

This paper presents methodologies for fracture analysis of concrete structural components with and without considering tension softening effect. Stress intensity factor (SIF) is computed by using analytical approach and finite element analysis. In the analytical approach, SW accounting for tension softening effect has been obtained as the difference of SIP obtained using linear elastic fracture mechanics (LEFM) principles and SIP due to closing pressure. Superposition principle has been used by accounting for non-linearity in incremental form. SW due to crack closing force applied on the effective crack face inside the process zone has been computed using Green's function approach. In finite element analysis, the domain integral method has been used for computation of SIR The domain integral method is used to calculate the strain energy release rate and SIF when a crack grows. Numerical studies have been conducted on notched 3-point bending concrete specimen with and without considering the cohesive stresses. It is observed from the studies that SW obtained from the finite element analysis with and without considering the cohesive stresses is in good agreement with the corresponding analytical value. The effect of cohesive stress on SW decreases with increase of crack length. Further, studies have been conducted on geometrically similar structures and observed that (i) the effect of cohesive stress on SW is significant with increase of load for a particular crack length and (iii) SW values decreases with increase of tensile strength for a particular crack length and load.

Breakage of a drop of inviscid fluid due to a pressure fluctuation at its surface

In this work, an attempt is made to gain a better understanding of the breakage of low-viscosity drops in turbulent flows by determining the dynamics of deformation of an inviscid drop in response to a pressure variation acting on the drop surface. Known scaling relationships between wavenumbers and frequencies, and between pressure fluctuations and velocity fluctuations in the inertial subrange are used in characterizing the pressure fluctuation. The existence of a maximum stable drop diameter d(max) follows once scaling laws of turbulent flow are used to correlate the magnitude of the disruptive forces with the duration for which they act. Two undetermined dimensionless quantities, both of order unity, appear in the equations of continuity, motion, and the boundary conditions in terms of pressure fluctuations applied on the surface. One is a constant of proportionality relating root-mean-square values of pressure and velocity differences between two points separated by a distance l. The other is a Weber number based on turbulent stresses acting on the drop and the resisting stresses in the drop due to interfacial tension. The former is set equal to 1, and the latter is determined by studying the interaction of a drop of diameter equal to d(max) with a pressure fluctuation of length scale equal to the drop diameter. The model is then used to study the breakage of drops of diameter greater than d(max) and those with densities different from that of the suspending fluid. It is found that, at least during breakage of a drop of diameter greater than d(max) by interaction with a fluctuation of equal length scale, a satellite drop is always formed between two larger drops. When very large drops are broken by smaller-length-scale fluctuations, highly deformed shapes are produced suggesting the possibility of further fragmentation due to instabilities. The model predicts that as the dispersed-phase density increases, d(max) decreases.