Prediction of activities of oxygen in dilute quaternary solutions using binary data

Equations are developed for predicting the activity coefficients of oxygen dissolved in ternary liquid alloys. These are extensions of earlier treatments, and are based on a model in which each oxygen atom is assumed to make four bonds with neighboring metal atoms. It is also postulated that the strong oxygen-metal bonds distort the electronic configuration around the metal atoms bonded to oxygen, and that the quantitative reduction of the strength of bonds made by these atoms with all of the adjacent metal atoms is equivalent to a factor of approximately two. The predictions of the quasichemical equation which is derived agree satisfactorily with the partial molar free energies of oxygen in Ag-Cu-Sn solutions at 1200°C reported in literature. An extension of this treatment to multicomponent solutions is also indicated.

The estimation of the thermodynamic properties of ternary alloys from binary data using the shortest distance composition path

A new composition path, Xi-Xj=constant, is suggested for the semi-empirical calculation of the thermodynamic properties of ternary ‘substitutional’ solutions from binary data, when the binary systems show deviations from the regular solution model. A comparison is made between the results obtained for integral and partial properties using this composition path and those calculated employing other composition paths suggested in literature. It appears that the best estimate of the ternary properties is obtained when binary data at compositions closest to the ternary composition are used.

Computation of thermodynamic properties of quaternary and higher order systems from binary data using shortest distance composition paths

Equations for the computation of integral and partial thermodynamic properties of mixing in quarternary systems are derived using data on constituent binary systems and shortest distance composition paths to the binaries. The composition path from a quarternary composition to the i-j binary is characterized by a constant value of (Xi − Xj). The merits of this composition path over others with constant values for View the MathML source or Xi are discussed. Finally the equations are generalized for higher order systems. They are exact for regular solutions, but may be used in a semiempirical mode for non-regular solutions.

Symmetry of one-dimensional dynamical systems in terms of transfer matrix parameters

The concept of symmetry for passive, one-dimensional dynamical systems is well understood in terms of the impedance matrix, or alternatively, the mobility matrix. In the past two decades, however, it has been established that the transfer matrix method is ideally suited for the analysis and synthesis of such systems. In this paper an investigatiob is described of what symmetry means in terms of the transfer matrix parameters of an passive element or a set of elements. One-dimensional flexural systems with 4 × 4 transfer matrices as well as acoustical and mechanical systems characterized by 2 × 2 transfer matrices are considered. It is shown that the transfer matrix of a symmetrical system, defined with respect to symmetrically oriented state variables, is involutory, and that a physically symmetrical system may not necessarily be functionally or dynamically symmetrical.

Transfer matrix modeling of hyperbolic and parabolic ducts with incompressible mean flow

A general differential equation for the propagation of sound in a variable area duct or nozzle carrying incompressible mean flow (of low Mach number) is derived and solved for hyperbolic and parabolic shapes. Expressions for the state variables of acoustic pressure and acoustic mass velocity of the shapes are derived. Self‐consistent expressions for the four‐pole parameters are developed. The conical, exponential, catenoidal, sine, and cosine ducts are shown to be special cases of hyperbolic ducts. Finally, it is shown that if the mean flow in computing the transmission loss of the mufflers involving hyperbolic and parabolic shapes was not neglected, little practical benefit would be derived.

A Generalized Enthalpy Update Scheme for Solidification of a Binary Alloy with Solid Phase Movement

A generalized enthalpy update scheme is presented for evaluating solid and liquid fractions during the solidification of binary alloys, taking solid movement into consideration. A fixed-grid, enthalpy-based method is developed such that the scheme accounts for equilibrium as well as for nonequilibrium solidification phenomena, along with solid phase movement. The effect of solid movement on the solidification interface shape and macrosegregation is highlighted.

Formulas for algorithmic computation of impedance matrix using general circuit constants

A set of formulas is derived from general circuit constants which facilitates formation of the impedance matrix of a power system by the bus-impedance method. The errors associated with the lumpedparameter representation of a transmission line are thereby eliminated. The formulas are valid for short lines also, if the relevant general circuit constants are employed. The mutual impedance between the added line and the existing system is not considered, but the approach suggested can well be extended to it.

Matrix Processors Using p-adic Arithmetic for Exact Linear Computations

A unique code (called Hensel's code) is derived for a rational number by truncating its infinite p-adic expansion. The four basic arithmetic algorithms for these codes are described and their application to rational matrix computations is demonstrated by solving a system of linear equations exactly, using the Gaussian elimination procedure.

Relaxation: Application to the matrix reconstruction problem

This report describes some preliminary experiments on the use of the relaxation technique for the reconstruction of the elements of a matrix given their various directional sums (or projections).

Effect of dimerization on dynamics of spin-charge separation in Pariser-Parr-Pople model: A time-dependent density matrix renormalization group study

We investigate the effect of static electron-phonon coupling on real-time dynamics of spin and charge transport in pi-conjugated polyene chains. The polyene chain is modeled by the Pariser-Parr-Pople Hamiltonian with dimerized nearest-neighbor parameter t(0)(1 + delta) for short bonds and t(0)(1 - delta) for long bonds, and long-range electron-electron interactions. We follow the time evolution of the spin and charge using time-dependent density matrix renormalization group technique when a hole is injected at one end of the chain in its ground state. We find that spin and charge dynamics followed through spin and charge velocities depend both on chain length and extent of dimerization delta. Analysis of the results requires focusing on physical quantities such as average spin and charge polarizations, particularly in the large dimerization limit. In the dimerization range 0.0 <= delta <= 0.15, spin-charge dynamics is found to have a well-defined behavior, with spin-charge separation (measured as the ratio of charge velocity to spin velocity) as well as the total amount of charge and spin transported in a given time along the chain decreasing as dimerization increases. However, in the range 0.3 <= delta <= 0.5, it is observed that the dynamics of spin and charge transport becomes complicated. It is observed that, for large delta values, spin-charge separation is suppressed and the injected hole fails to travel the entire length of the chain.

3D Acoustic Analysis Of Spherical Chamber Having Single Inlet And Multiple Outlet: An Impedance Matrix Approach

The transmission loss (TL) performance of spherical chambers having single inlet and multiple outlet is obtained analytically through modal expansion of acoustic field inside the spherical cavity in terms of the spherical Bessel functions and Legendre polynomials. The uniform piston driven model based upon the impedance [Z] matrix is used to characterize the multi-port spherical chamber. It is shown analytically that the [Z] parameters are independent of the azimuthal angle (phi) due to the axisymmetric shape of the sphere; rather, they depend only upon the polar angle (theta) and radius of the chamber R(0). Thus, the effects of relative polar angular location of the ports and number of outlet ports are investigated. The analytical results are shown to be in good agreement with the 3D FEA results, thereby validating the procedure suggested in this work.

A density matrix renormalization group method study of optical properties of porphines and metalloporphines

The symmetrized density matrix renormalization group method is used to study linear and nonlinear optical properties of free base porphine and metalloporphine. Long-range interacting model, namely, Pariser-Parr-Pople model is employed to capture the quantum many-body effect in these systems. The nonlinear optical coefficients are computed within the correction vector method. The computed singlet and triplet low-lying excited state energies and their charge densities are in excellent agreement with experimental as well as many other theoretical results. The rearrangement of the charge density at carbon and nitrogen sites, on excitation, is discussed. From our bond order calculation, we conclude that porphine is well described by the 18-annulenic structure in the ground state and the molecule expands upon excitation. We have modeled the regular metalloporphine by taking an effective electric field due to the metal ion and computed the excitation spectrum. Metalloporphines have D(4h) symmetry and hence have more degenerate excited states. The ground state of metalloporphines shows 20-annulenic structure, as the charge on the metal ion increases. The linear polarizability seems to increase with the charge initially and then saturates. The same trend is observed in third order polarizability coefficients. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3671946]

Real-time density matrix renormalization group dynamics of spin and charge transport in push-pull polyenes and related systems

In this paper we investigate the effect of terminal substituents on the dynamics of spin and charge transport in donor-acceptor substituted polyenes [D-(CH)(x)-A] chains, also known as push-pull polyenes. We employ a long-range correlated model Hamiltonian for the D-(CH)(x)-A system, and time-dependent density matrix renormalization group technique for time propagating the wave packet obtained by injecting a hole at a terminal site, in the ground state of the system. Our studies reveal that the end groups do not affect spin and charge velocities in any significant way, but change the amount of charge transported. We have compared these push-pull systems with donor-acceptor substituted polymethine imine (PMI), D-(CHN)(x)-A, systems in which besides electron affinities, the nature of p(z) orbitals in conjugation also alternate from site to site. We note that spin and charge dynamics in the PMIs are very different from that observed in the case of push-pull polyenes, and within the time scale of our studies, transport of spin and charge leads to the formation of a ``quasi-static'' state.

Structure and properties of zinc alloy based metal matrix composites

Zinc-aluminium cast alloys (ZA alloys) exhibit good castability and mechanical properties but these alloys lack creep resistance and high temperature stability. One solution to improve these properties is to reinforce with ceramic particles or fibres, to result in MMCs. MMCs can be produced using casting technique involving infiltration. A systematic investigation was taken and this paper discusses the salient findings of the study on the ZA-27 alloy based MMCs produced through squeeze casting. (Reinforcing fibers: SAFFIL (chopped alumina) or mullite.)