Electron-Phonon Interaction Within the Framework of the Fluctuating Valence of Copper Atoms — a Theoretical Model for High Temperature Superconductivity

Electron-phonon interaction is considered within the framework of the fluctuating valence of Cu atoms. Anderson's lattice Hamiltonian is suitably modified to take this into account. Using Green's function technique tbe possible quasiparticle excitations' are determined. The quantity 2delta k(O)/ kB Tc is calculated for Tc= 40 K. The calculated values are in good agreement with the experimental results.

Theoretical study of the fluorinating power of SF6 to vanadocene

Màster Oficial en Química Teòrica i Computacional Curs: 2008-2009, Director: Juan J. Novoa Vide

Ground-state self-consistent calculation of quantum dots under magnetic fields: Addition spectrum

A density-functional self-consistent calculation of the ground-state electronic density of quantum dots under an arbitrary magnetic field is performed. We consider a parabolic lateral confining potential. The addition energy, E(N+1)-E(N), where N is the number of electrons, is compared with experimental data and the different contributions to the energy are analyzed. The Hamiltonian is modeled by a density functional, which includes the exchange and correlation interactions and the local formation of Landau levels for different equilibrium spin populations. We obtain an analytical expression for the critical density under which spontaneous polarization, induced by the exchange interaction, takes place.

Some non- linear problems in theoretical physics

An immense variety of problems in theoretical physics are of the non-linear type. Non~linear partial differential equations (NPDE) have almost become the rule rather than an exception in diverse branches of physics such as fluid mechanics, field theory, particle physics, statistical physics and optics, and the construction of exact solutions of these equations constitutes one of the most vigorous activities in theoretical physics today. The thesis entitled ‘Some Non-linear Problems in Theoretical Physics’ addresses various aspects of this problem at the classical level. For obtaining exact solutions we have used mathematical tools like the bilinear operator method, base equation technique and similarity method with emphasis on its group theoretical aspects. The thesis deals with certain methods of finding exact solutions of a number of non-linear partial differential equations of importance to theoretical physics. Some of these new solutions are of relevance from the applications point of view in diverse branches such as elementary particle physics, field theory, solid state physics and non-linear optics and give some insight into the stable or unstable behavior of dynamical Systems The thesis consists of six chapters.

Corrugated flange technique for beam shaping of sectoral electromagnetic horn antennas

The need for improved feed systems for large reflector antennas employed in Radio Astronomy and Satellite tracking spurred the interest in horn antenna research in the 1960's. The major requirements were to reduce spill over, cross-polarisation losses,and to enhance the aperture efficiency to the order of about 75-8O%L The search for such a feed culminated in the corrugated horn. The corrugat1e 1 horn triggered widespread interest and enthusiasm, and a large amount of work(32’34’49’5O’52’53’58’65’75’79)has already been done on this type of antennas. The properties of corrugated surfaces has been investigated in detail. It was strongly felt that the flange technique and the use of corrugated surfaces could be merged together to obtain the advantages of both. This is the idea behind the present work. Corrugations are made on the surface of flange elements. The effect of various corrugation parameters are studied. By varying the flange parameters, a good amount of data is collected and analysed to ascertain the effects of corrugated flanges. The measurements are repeated at various frequencies, in the X— and S-bands. The following parameters of the system were studied: (a) beam shaping (b) gain (c) variation of V.S.U.R. (d) possibility of obtaining circularly polarised radiation from the flanged horn. A theoretical explanation to the effects of corrugated flanges is attempted on the basis of the line-source theory. Even though this theory utilises a simplified model for the calculation of radiation patterns, fairly good agreement between the computed pattern and experimental results are observed.

Theoretical Studies on Air Pollution Meteorology in South India

Man's inadvertent interference with the environment by way of indiscreL¢ industrflflization has led to the deteriorating air quality in the recent times. The search is on to find the remedies to confine the air pollution levels with in their thershold limits. Theoretical studies play A crucial role in the control and for abatment of air pollution. Improper siting of industry is one of the most common reasons for the increased levels of air pollution in urban environments. A proper and effective ecological planning is an essential first step for any region in order to reduce the effects of air pollution. By means of theoretical models one can obtain the pollutant distribution in any urban area, provided the necessary data are available with the help of which the sites for new industries could be suggested, given the emission inventory. Studies on air pollution meteorology serve and aid the planners to initate remedial actions to bring down the levels of pollution and also to out—line the control strategy. In the present thesis some theoretical studies on air pollution meteorology over South India are made. The thesis is divided into six chapters

Ab initio theoretical comparative study of magnetic coupling in KNiF3 and K2NiF4s

The origin of magnetic coupling in KNiF3 and K2 NiF4 is studied by means of an ab initio cluster model approach. By a detailed study of the mapping between eigenstates of the exact nonrelativistic and spin model Hamiltonians it is possible to obtain the magnetic coupling constant J and to compare ab initio cluster-model values with those resulting from ab initio periodic Hartree-Fock calculations. This comparison shows that J is strongly determined by two-body interactions; this is a surprising and unexpected result. The importance of the ligands surrounding the basic metal-ligand-metal interacting unit is reexamined by using two different partitions and the constrained space orbital variation method of analysis. This decomposition enables us to show that this effect is basically environmental. Finally, dynamical electronic correlation effects have found to be critical in determining the final value of the magnetic coupling constant.

Theoretical modeling of photon and electron-stimulated Na and K desorption from SiO2

The mechanism of generation of atomic Na and K from SiO2 samples has been studied using explicitly correlated wave function and density functional theory cluster calculations. Possible pathways for the photon and electron stimulated desorption of Na and K atoms from silicates are proposed, thus providing new insight on the generation of the tenuous Na and K atmosphere of the Moon.

”Nonlinear optical properties of polymers containing azomesogens and chiral molecules: theoretical and experimental evaluations."

The present work emphasizes the use of chirality as an efficient tool to synthesize new types of second order nonlinear materials. Second harmonic generation efficiency (SHG) is used as a measure of second order nonlinear response. Nonlinear optical properties of polymers have been studied theoretically and experimentally. Polymers were designed theoretically by ab initio and semiempirical calculations. All the polymeric systems have been synthesized by condensation polymerization. Second harmonic generation efficiency of the synthesized systems has been measured experimentally by Kurtz and Perry powder method

Squeezed Coherent State Representation of Scalar Field and Particle Production in the Early Universe

The present work is an attempt to explain particle production in the early univese. We argue that nonzero values of the stress-energy tensor evaluated in squeezed vacuum state can be due to particle production and this supports the concept of particle production from zero-point quantum fluctuations. In the present calculation we use the squeezed coherent state introduced by Fan and Xiao [7]. The vacuum expectation values of stressenergy tensor defined prior to any dynamics in the background gravitational field give all information about particle production. Squeezing of the vacuum is achieved by means of the background gravitational field, which plays the role of a parametric amplifier [8]. The present calculation shows that the vacuum expectation value of the energy density and pressure contain terms in addition to the classical zero-point energy terms. The calculation of the particle production probability shows that the probability increases as the squeezing parameter increases, reaches a maximum value, and then decreases.

Squeezed Coherent State Representation of Scalar Field and Particle Production in the Early Universe

The present work is an attempt to explain particle production in the early univese. We argue that nonzero values of the stress-energy tensor evaluated in squeezed vacuum state can be due to particle production and this supports the concept of particle production from zero-point quantum fluctuations. In the present calculation we use the squeezed coherent state introduced by Fan and Xiao [7]. The vacuum expectation values of stressenergy tensor defined prior to any dynamics in the background gravitational field give all information about particle production. Squeezing of the vacuum is achieved by means of the background gravitational field, which plays the role of a parametric amplifier [8]. The present calculation shows that the vacuum expectation value of the energy density and pressure contain terms in addition to the classical zero-point energy terms. The calculation of the particle production probability shows that the probability increases as the squeezing parameter increases, reaches a maximum value, and then decreases.

Area and Volume Calculation of Necrotic Tissue regions of heart using Interpolation

This paper attempts to develop an improved tool, which would read two dimensional(2D) cardiac MRI images and compute areas and volume of the scar tissue. Here the computation would be done on the cardiac MR images to quantify the extent of damage inflicted by myocardial infarction on the cardiac muscle (myocardium) using Interpolation