Theory of freezing in simple systems

The transition parameters for the freezing of two one-component liquids into crystalline solids are evaluated by two theoretical approaches. The first system considered is liquid sodium which crystallizes into a body-centered-cubic (bcc) lattice; the second system is the freezing of adhesive hard spheres into a face-centered-cubic (fcc) lattice. Two related theoretical techniques are used in this evaluation: One is based upon a recently developed bifurcation analysis; the other is based upon the theory of freezing developed by Ramakrishnan and Yussouff. For liquid sodium, where experimental information is available, the predictions of the two theories agree well with experiment and each other. The adhesive-hard-sphere system, which displays a triple point and can be used to fit some liquids accurately, shows a temperature dependence of the freezing parameters which is similar to Lennard-Jones systems. At very low temperature, the fractional density change on freezing shows a dramatic increase as a function of temperature indicating the importance of all the contributions due to the triplet direction correlation function. Also, we consider the freezing of a one-component liquid into a simple-cubic (sc) lattice by bifurcation analysis and show that this transition is highly unfavorable, independent of interatomic potential choice. The bifurcation diagrams for the three lattices considered are compared and found to be strikingly different. Finally, a new stability analysis of the bifurcation diagrams is presented.

Thermodynamic scaling theory for the two-impurity Anderson model

We present results of a study of the two-impurity Anderson model using a thermodynamic scaling theory developed recently. The model is characterized by the Coulomb energy U, the orbital energy epsilond, the d-level width Gamma, and the separation between impurities R. If Gamma<<−epsilond<~Gamma. Here we find that the single-impurity physics dominates the low-temperature behavior, and impurity-impurity interactions are perturbative. The qualitative features of the temperature-dependent susceptibility are discussed. Journal of Applied Physics is copyrighted by The American Institute of Physics.

Critical-point Properties of Liquids and the Born-Green Theory

Recent work of Jones et al. giving the long-range behaviour of the pair correlation function is used to confirm that the critical ratio Pc/nckBTc = 1/2 in the Born-Green theory. This deviates from experimental results on simple insulating liquids by more than the predictions of the van der Waals equation of state. A brief discussion of conditions for thermodynamic consistency, which the Born-Green theory violates, is then given. Finally, the approach of the Ornstein-Zernike correlation function to its critical point behaviour is discussed within the Born-Green theory.

Coupled amplitude theory of nonlinear surface acoustic waves

The nonlinear propagation characteristics of surface acoustic waves on an isotropic elastic solid have been studied in this paper. The solution of the harmonic boundary value problem for Rayleigh waves is obtained as a generalized Fourier series whose coefficients are proportional to the slowly varying amplitudes of the various harmonics. The infinite set of coupled equations for the amplitudes when solved exhibit an oscillatory slow variation signifying a continuous transfer of energy back and forth among the various harmonics. A conservation relation is derived among all the harmonic amplitudes.

On the propagation of a weak shock front: Theory and application

In this paper the kinematics of a weak shock front governed by a hyperbolic system of conservation laws is studied. This is used to develop a method for solving problems, involving the propagation of nonlinear unimodal waves. It consists of first solving the nonlinear wave problem by moving along the bicharacteristics of the system and then fitting the shock into this solution field, so that it satisfies the necessary jump conditions. The kinematics of the shock leads in a natural way to the definition of ldquoshock-raysrdquo, which play the same role as the ldquoraysrdquo in a continuous flow. A special case of a circular cylinder introduced suddenly in a constant streaming flow is studied in detail. The shock fitted in the upstream region propagates with a velocity which is the mean of the velocities of the linear and the nonlinear wave fronts. In the downstream the solution is given by an expansion wave.

Non-Abelian monopoles break color. II. Field theory and quantum mechanics

Many grand unified theories (GUT's) predict non-Abelian monopoles which are sources of non-Abelian (and Abelian) magnetic flux. In the preceding paper, we discussed in detail the topological obstructions to the global implementation of the action of the "unbroken symmetry group" H on a classical test particle in the field of such a monopole. In this paper, the existence of similar topological obstructions to the definition of H action on the fields in such a monopole sector, as well as on the states of a quantum-mechanical test particle in the presence of such fields, are shown in detail. Some subgroups of H which can be globally realized as groups of automorphisms are identified. We also discuss the application of our analysis to the SU(5) GUT and show in particular that the non-Abelian monopoles of that theory break color and electroweak symmetries.

A Fredholm-type theory for third-kind linear integral equations

The third-kind linear integral equation Image where g(t) vanishes at a finite number of points in (a, b), is considered. In general, the Fredholm Alternative theory [[5.]] does not hold good for this type of integral equation. However, imposing certain conditions on g(t) and K(t, t′), the above integral equation was shown [[1.], 49–57] to obey a Fredholm-type theory, except for a certain class of kernels for which the question was left open. In this note a theory is presented for the equation under consideration with some additional assumptions on such kernels.

A semi-empirical theory of molten salts

A semi-empirical model is presented for describing the interionic interactions in molten salts using the experimentally available structure data. An extension of Bertaut's method of non-overlapping charges is used to estimate the electrostatic interaction energy in ionic melts. It is shown, in agreement with earlier computer simulation studies, that this energy increases when an ionic salt melts. The repulsion between ions is described using a compressible ion theory which uses structure-independent parameters. The van der Waals interactions and the thermal free energy are also included in the total energy, which is minimised with respect to isostructural volume variations to calculate the equilibrium density. Detailed results are presented for three molten systems, NaCl, CaCl2 and ZnCl2, and are shown to be in satisfactory agreement with experiments. With reliable structural data now being reported for several other molten salts, the present study gains relevance.

A phase space approach to generalized Hamilton–Jacobi theory

Generalizations of H–J theory have been discussed before in the literature. The present approach differs from others in that it employs geometrical ideas on phase space and classical transformation theory to derive the basic equations. The relation between constants of motion and symmetries of the generalized H–J equations is then clarified. Journal of Mathematical Physics is copyrighted by The American Institute of Physics.

A note on the effective medium theory of random resistive-reactive medium

The effective medium theory for a system with randomly distributed point conductivity and polarisability is reformulated, with attention to cross-terms involving the two disorder parameters. The treatment reveals a certain inconsistency of the conventional theory owing to the neglect of the Maxwell-Wagner effect. The results are significant for the critical resistivity and dielectric anomalies of a binary liquid mixture at the phase separation point.

The non-planar peptide unit II. Comparison of theory with crystal structure datastar, open

The theoretical results derived in Part I (Ramachandran, G.N., Lakshminarayan, A.V. and Kolaskar, A.S. (1973) Biochim. Biophys. Acta 303, 8–13) that the three bonds of the peptide unit meeting at N can have a pyramidal structure is confirmed by an analysis of 14 published crystal structures of small peptides. It is shown that the dihedral angles θN and Δω are correlated, while θC, is small and is uncorrelated with Δω, showing that the non-planar distortion at C′ is generally small.

The sensitivity of the northern hemisphere summer mean meridional circulation to changes in the large scale eddy forcing

A zonally averaged version of the Goddard Laboratory for Atmospheric Sciences (GLAS) climate model is used to study the sensitivity of the northern hemisphere (NH) summer mean meridional circulation to changes in the large scale eddy forcing. A standard solution is obtained by prescribing the latent heating field and climatological horizontal transports of heat and momentum by the eddies. The radiative heating and surface fluxes are calculated by model parameterizations. This standard solution is compared with the results of several sensitivity studies. When the eddy forcing is reduced to 0.5 times or increased to 1.5 times the climatological values, the strength of the Ferrel cells decrease or increase proportionally. It is also seen that such changes in the eddy forcing can influence the strength of theNH Hadley cell significantly. Possible impact of such changes in the large scale eddy forcing on the monsoon circulation via changes in the Hadley circulation is discussed. Sensitivity experiments including only one component of eddy forcing at a time show that the eddy momentum fluxes seem to be more important in maintaining the Ferrel cells than the eddy heat fluxes. In the absence of the eddy heat fluxes, the observed eddy momentum fluxes alone produce subtropical westerly jets which are weaker than those in the standard solution. On the other hand, the observed eddy heat fluxes alone produce subtropical westerly jets which are stronger than those in the standard solution.

A theory of the upper critical field in antiferromagnetic superconductors

A generalized Ginzburg-Landau approach is used to study the nonmonotonic temperature dependence of the upper critical field H c 2(T) in antiferromagnetic superconductors RE(Mo)6S8; RE = Dy, Tb, Gd. It is found that electrodynamic effects incorporated through screening and indirect coupling between the staggered magnetization M Q (T) and superconducting order parameter psgr cannot explain the observed nonmonotonicity. This suggests that the direct coupling between the two order parameters should be considered to understand the experimental results, a finding which is consistent with recent microscopic calculations.

Theory of the non-planar peptide unitstar, open

By means of CNDO/2 calculations on N-methyl acetamide, it is shown that the state of minimum energy of the trans-peptide unit is a non-planar conformation, with the NH and NC2α bonds being significantly out of the plane formed by the atoms C1α, C′, O and N.