977 resultados para SELF-CONSISTENT


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Recently, Chen and Gao [Chen, S., Gao, H., 2007. Bio-inspired mechanics of reversible adhesion: orientation-dependent adhesion strength for non-slipping adhesive contact with transversely isotropic elastic materials. J. Mech. Phys. solids 55, 1001-1015] studied the problem of a rigid cylinder in non-slipping adhesive contact with a transversely isotropic solid subjected to an inclined pulling force. An implicit assumption made in their study was that the contact region remains symmetric with respect to the center of the cylinder. This assumption is, however, not self-consistent because the resulting energy release rates at two contact edges, which are supposed to be identical, actually differ from each other. Here we revisit the original problem of Chen and Gao and derive the correct solution by removing this problematic assumption. The corrected solution provides a proper insight into the concept of orientation-dependent adhesion strength in anisotropic elastic solids. (c) 2008 Elsevier Ltd. All rights reserved.

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In the first part of this thesis a study of the effect of the longitudinal distribution of optical intensity and electron density on the static and dynamic behavior of semiconductor lasers is performed. A static model for above threshold operation of a single mode laser, consisting of multiple active and passive sections, is developed by calculating the longitudinal optical intensity distribution and electron density distribution in a self-consistent manner. Feedback from an index and gain Bragg grating is included, as well as feedback from discrete reflections at interfaces and facets. Longitudinal spatial holeburning is analyzed by including the dependence of the gain and the refractive index on the electron density. The mechanisms of spatial holeburning in quarter wave shifted DFB lasers are analyzed. A new laser structure with a uniform optical intensity distribution is introduced and an implementation is simulated, resulting in a large reduction of the longitudinal spatial holeburning effect.

A dynamic small-signal model is then developed by including the optical intensity and electron density distribution, as well as the dependence of the grating coupling coefficients on the electron density. Expressions are derived for the intensity and frequency noise spectrum, the spontaneous emission rate into the lasing mode, the linewidth enhancement factor, and the AM and FM modulation response. Different chirp components are identified in the FM response, and a new adiabatic chirp component is discovered. This new adiabatic chirp component is caused by the nonuniform longitudinal distributions, and is found to dominate at low frequencies. Distributed feedback lasers with partial gain coupling are analyzed, and it is shown how the dependence of the grating coupling coefficients on the electron density can result in an enhancement of the differential gain with an associated enhancement in modulation bandwidth and a reduction in chirp.

In the second part, spectral characteristics of passively mode-locked two-section multiple quantum well laser coupled to an external cavity are studied. Broad-band wavelength tuning using an external grating is demonstrated for the first time in passively mode-locked semiconductor lasers. A record tuning range of 26 nm is measured, with pulse widths of typically a few picosecond and time-bandwidth products of more than 10 times the transform limit. It is then demonstrated that these large time-bandwidth products are due to a strong linear upchirp, by performing pulse compression by a factor of 15 to a record pulse widths as low 320 fs.

A model for pulse propagation through a saturable medium with self-phase-modulation, due to the a-parameter, is developed for quantum well material, including the frequency dependence of the gain medium. This model is used to simulate two-section devices coupled to an external cavity. When no self-phase-modulation is present, it is found that the pulses are asymmetric with a sharper rising edge, that the pulse tails have an exponential behavior, and that the transform limit is 0.3. Inclusion of self-phase-modulation results in a linear upchirp imprinted on the pulse after each round-trip. This linear upchirp is due to a combination of self-phase-modulation in a gain section and absorption of the leading edge of the pulse in the saturable absorber.

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采用离子球模型,通过自洽求解Boltzmann方程和Poisson方程,得到类氦氖离子Kα线系的两条电偶极辐射光谱能量随等离子体环境的漂移.结果显示,Kα线系电偶极谱线随等离子体电子密度增大发生红移,红移量与等离子体电子密度有近似的正比关系;随着等离子体电子温度的降低,光谱红移对等离子体电子密度的敏感性增大。另外,所研究的两条谱线间的能量间隔随等离子体电子密度的增大而减小,减小量随等离子体电子密度的变化也呈现出近似的线性规律。值得注意的是,类氦氖Kα线系中两条电偶极谱线分别为互组合线与共振谱线,而其能量差

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利用解析的方法研究了非相对论线偏振激光与等离子体相互作用中的J×B加热吸收机理,建立了一种包含两类有质动力效应在内的自洽理论.探讨了密度轮廓修正下的J×B加热机理,给出了相应的吸收系数随激光场强度变化的关系曲线.研究发现,当激光场强度A0=20时,J×B加热所导致的吸收系数fabs约为2.8%.

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By using a one-dimensional self-consistent relativistic fluid model, an investigation is made numerically on relativistic electromagnetic solitons with a high intensity in cold overdense plasmas with an electrons' initial velocity opposite to the laser propagating direction. Two types of standing solitons with zero group velocity are found at the given electrons' initial velocities. One is single-humped with a weakly relativistic intensity; the another is multi-humped with a strong relativistic amplitude. The properties of these two types of solitons are presented in detail.

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In this study, by adopting the ion sphere model, the self-consistent. field method is used with the Poisson-Boltzmann equation and the Dirac equation to calculate the ground-state energies of H-like Ti at a plasma electron density from 10(22) cm(-3) to 10(24) cm(-3) and the electron temperature from 100 eV to 3600 eV. The ground-state energy shifts of H-like Ti show different trends with the electron density and the electron temperature. It is shown that the energy shifts increase with the increase in the electron density and decrease with the increase in the electron temperature. The energy shifts are sensitive to the electron density, but only sensitive to the low electron temperature. In addition, an accurately fitting formula is obtained to fast estimate the ground-state energies of H-like Ti. Such fitted formula can also be used to estimate the critical electron density of pressure ionization for the ground state of H-like Ti.

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Conduction through TiO2 films of thickness 100 to 450 Å have been investigated. The samples were prepared by either anodization of Ti evaporation of TiO2, with Au or Al evaporated for contacts. The anodized samples exhibited considerable hysteresis due to electrical forming, however it was possible to avoid this problem with the evaporated samples from which complete sets of experimental results were obtained and used in the analysis. Electrical measurements included: the dependence of current and capacitance on dc voltage and temperature; the dependence of capacitance and conductance on frequency and temperature; and transient measurements of current and capacitance. A thick (3000 Å) evaporated TiO2 film was used for measuring the dielectric constant (27.5) and the optical dispersion, the latter being similar to that for rutile. An electron transmission diffraction pattern of a evaporated film indicated an essentially amorphous structure with a short range order that could be related to rutile. Photoresponse measurements indicated the same band gap of about 3 ev for anodized and evaporated films and reduced rutile crystals and gave the barrier energies at the contacts.

The results are interpreted in a self consistent manner by considering the effect of a large impurity concentration in the films and a correspondingly large ionic space charge. The resulting potential profile in the oxide film leads to a thermally assisted tunneling process between the contacts and the interior of the oxide. A general relation is derived for the steady state current through structures of this kind. This in turn is expressed quantitatively for each of two possible limiting types of impurity distributions, where one type gives barriers of an exponential shape and leads to quantitative predictions in c lose agreement with the experimental results. For films somewhat greater than 100 Å, the theory is formulated essentially in terms of only the independently measured barrier energies and a characteristic parameter of the oxide that depends primarily on the maximum impurity concentration at the contacts. A single value of this parameter gives consistent agreement with the experimentally observed dependence of both current and capacitance on dc voltage and temperature, with the maximum impurity concentration found to be approximately the saturation concentration quoted for rutile. This explains the relative insensitivity of the electrical properties of the films on the exact conditions of formation.

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The problem of s-d exchange scattering of conduction electrons off localized magnetic moments in dilute magnetic alloys is considered employing formal methods of quantum field theoretical scattering. It is shown that such a treatment not only allows for the first time, the inclusion of multiparticle intermediate states in single particle scattering equations but also results in extremely simple and straight forward mathematical analysis. These equations are proved to be exact in the thermodynamic limit. A self-consistent integral equation for electron self energy is derived and approximately solved. The ground state and physical parameters of dilute magnetic alloys are discussed in terms of the theoretical results. Within the approximation of single particle intermediate states our results reduce to earlier versions. The following additional features are found as a consequence of the inclusion of multiparticle intermediate states;

(i) A non analytic binding energy is pre sent for both, antiferromagnetic (J < o) and ferromagnetic (J > o) couplings of the electron plus impurity system.

(ii) The correct behavior of the energy difference of the conduction electron plus impurity system and the free electron system is found which is free of unphysical singularities present in earlier versions of the theories.

(iii) The ground state of the conduction electron plus impurity system is shown to be a many-body condensate state for J < o and J > o, both. However, a distinction is made between the usual terminology of "Singlet" and "Triplet" ground states and nature of our ground state.

(iv) It is shown that a long range ordering, leading to an ordering of the magnetic moments can result from a contact interaction such as the s-d exchange interaction.

(v) The explicit dependence of the excess specific heat of the Kondo systems is obtained and found to be linear in temperatures as T→ o and T ℓnT for 0.3 T_K ≤ T ≤ 0.6 T_K. A rise in (ΔC/T) for temperatures in the region 0 < T ≤ 0.1 T_K is predicted. These results are found to be in excellent agreement with experiments.

(vi) The existence of a critical temperature for Ferromagnetic coupling (J > o) is shown. On the basis of this the apparent contradiction of the simultaneous existence of giant moments and Kondo effect is resolved.

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We develop a method for performing one-loop calculations in finite systems that is based on using the WKB approximation for the high energy states. This approximation allows us to absorb all the counterterms analytically and thereby avoids the need for extreme numerical precision that was required by previous methods. In addition, the local approximation makes this method well suited for self-consistent calculations. We then discuss the application of relativistic mean field methods to the atomic nucleus. Self-consistent, one loop calculations in the Walecka model are performed and the role of the vacuum in this model is analyzed. This model predicts that vacuum polarization effects are responsible for up to five percent of the local nucleon density. Within this framework the possible role of strangeness degrees of freedom is studied. We find that strangeness polarization can increase the kaon-nucleus scattering cross section by ten percent. By introducing a cutoff into the model, the dependence of the model on short-distance physics, where its validity is doubtful, is calculated. The model is very sensitive to cutoffs around one GeV.

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Hydrogen is the only atom for which the Schr odinger equation is solvable. Consisting only of a proton and an electron, hydrogen is the lightest element and, nevertheless, is far from being simple. Under ambient conditions, it forms diatomic molecules H2 in gas phase, but di erent temperature and pressures lead to a complex phase diagram, which is not completely known yet. Solid hydrogen was rst documented in 1899 [1] and was found to be isolating. At higher pressures, however, hydrogen can be metallized. In 1935 Wigner and Huntington predicted that the metallization pressure would be 25 GPa [2], where molecules would disociate to form a monoatomic metal, as alkali metals that lie below hydrogen in the periodic table. The prediction of the metallization pressure turned out to be wrong: metallic hydrogen has not been found yet, even under a pressure as high as 320 GPa. Nevertheless, extrapolations based on optical measurements suggest that a metallic phase may be attained at 450 GPa [3]. The interest of material scientist in metallic hydrogen can be attributed, at least to a great extent, to Ashcroft, who in 1968 suggested that such a system could be a hightemperature superconductor [4]. The temperature at which this material would exhibit a transition from a superconducting to a non-superconducting state (Tc) was estimated to be around room temperature. The implications of such a statement are very interesting in the eld of astrophysics: in planets that contain a big quantity of hydrogen and whose temperature is below Tc, superconducting hydrogen may be found, specially at the center, where the gravitational pressure is high. This might be the case of Jupiter, whose proportion of hydrogen is about 90%. There are also speculations suggesting that the high magnetic eld of Jupiter is due to persistent currents related to the superconducting phase [5]. Metallization and superconductivity of hydrogen has puzzled scientists for decades, and the community is trying to answer several questions. For instance, what is the structure of hydrogen at very high pressures? Or a more general one: what is the maximum Tc a phonon-mediated superconductor can have [6]? A great experimental e ort has been carried out pursuing metallic hydrogen and trying to answer the questions above; however, the characterization of solid phases of hydrogen is a hard task. Achieving the high pressures needed to get the sought phases requires advanced technologies. Diamond anvil cells (DAC) are commonly used devices. These devices consist of two diamonds with a tip of small area; for this reason, when a force is applied, the pressure exerted is very big. This pressure is uniaxial, but it can be turned into hydrostatic pressure using transmitting media. Nowadays, this method makes it possible to reach pressures higher than 300 GPa, but even at this pressure hydrogen does not show metallic properties. A recently developed technique that is an improvement of DAC can reach pressures as high as 600 GPa [7], so it is a promising step forward in high pressure physics. Another drawback is that the electronic density of the structures is so low that X-ray di raction patterns have low resolution. For these reasons, ab initio studies are an important source of knowledge in this eld, within their limitations. When treating hydrogen, there are many subtleties in the calculations: as the atoms are so light, the ions forming the crystalline lattice have signi cant displacements even when temperatures are very low, and even at T=0 K, due to Heisenberg's uncertainty principle. Thus, the energy corresponding to this zero-point (ZP) motion is signi cant and has to be included in an accurate determination of the most stable phase. This has been done including ZP vibrational energies within the harmonic approximation for a range of pressures and at T=0 K, giving rise to a series of structures that are stable in their respective pressure ranges [8]. Very recently, a treatment of the phases of hydrogen that includes anharmonicity in ZP energies has suggested that relative stability of the phases may change with respect to the calculations within the harmonic approximation [9]. Many of the proposed structures for solid hydrogen have been investigated. Particularly, the Cmca-4 structure, which was found to be the stable one from 385-490 GPa [8], is metallic. Calculations for this structure, within the harmonic approximation for the ionic motion, predict a Tc up to 242 K at 450 GPa [10]. Nonetheless, due to the big ionic displacements, the harmonic approximation may not su ce to describe correctly the system. The aim of this work is to apply a recently developed method to treat anharmonicity, the stochastic self-consistent harmonic approximation (SSCHA) [11], to Cmca-4 metallic hydrogen. This way, we will be able to study the e ects of anharmonicity in the phonon spectrum and to try to understand the changes it may provoque in the value of Tc. The work is structured as follows. First we present the theoretical basis of the calculations: Density Functional Theory (DFT) for the electronic calculations, phonons in the harmonic approximation and the SSCHA. Then we apply these methods to Cmca-4 hydrogen and we discuss the results obtained. In the last chapter we draw some conclusions and propose possible future work.

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This thesis examines several examples of systems in which non-Abelian magnetic flux and non-Abelian forms of the Aharonov-Bohm effect play a role. We consider the dynamical consequences in these systems of some of the exotic phenomena associated with non-Abelian flux, such as Cheshire charge holonomy interactions and non-Abelian braid statistics. First, we use a mean-field approximation to study a model of U(2) non-Abelian anyons near its free-fermion limit. Some self-consistent states are constructed which show a small SU(2)-breaking charge density that vanishes in the fermionic limit. This is contrasted with the bosonic limit where the SU(2) asymmetry of the ground state can be maximal. Second, a global analogue of Chesire charge is described, raising the possibility of observing Cheshire charge in condensedmatter systems. A potential realization in superfluid He-3 is discussed. Finally, we describe in some detail a method for numerically simulating the evolution of a network of non-Abelian (S3) cosmic strings, keeping careful track of all magnetic fluxes and taking full account of their non-commutative nature. I present some preliminary results from this simulation, which is still in progress. The early results are suggestive of a qualitatively new, non-scaling behavior.

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The objective of this investigation has been a theoretical and experimental understanding of ferromagnetic resonance phenomena in ferromagnetic thin films, and a consequent understanding of several important physical properties of these films. Significant results have been obtained by ferromagnetic resonance, hysteresis, torque magnetometer, He ion backscattering, and X-ray fluorescence measurements for nickel-iron alloy films.

Taking into account all relevant magnetic fields, including the applied, demagnetizing, effective anisotropy and exchange fields, the spin wave resonance condition applicable to the thin film geometry is presented. On the basis of the simple exchange interaction model it is concluded that the normal resonance modes of an ideal film are expected to be unpinned. The possibility of nonideality near the surface of a real film was considered by means of surface anisotropy field, inhomogeneity in demagnetizing field and inhomogeneity of magnetization models. Numerical results obtained for reasonable parameters in all cases show that they negligibly perturb the resonance fields and the higher order mode shapes from those of the unpinned modes of ideal films for thicknesses greater than 1000 Å. On the other hand for films thinner than 1000 Å the resonance field deviations can be significant even though the modes are very nearly unpinned. A previously unnoticed but important feature of all three models is that the interpretation of the first resonance mode as the uniform mode of an ideal film allows an accurate measurement of the average effective demagnetizing field over the film volume. Furthermore, it is demonstrated that it is possible to choose parameters which give indistinguishable predictions for all three models, making it difficult to uniquely ascertain the source of spin pinning in real films from resonance measurements alone.

Spin wave resonance measurements of 81% Ni-19% Fe coevaporated films 30 to 9000 Å thick, at frequencies from 1 to 8 GHz, at room temperature, and with the static magnetic field parallel and perpendicular to the film plane have been performed. A self-consistent analysis of the results for films thicker than 1000 Å, in which multiple excitations can be observed, shows for the first time that a unique value of exchange constant A can only be obtained by the use of unpinned mode assignments. This evidence and the resonance behavior of films thinner than 1000 Å strongly imply that the magnetization at the surfaces of permalloy films is very weakly pinned. However, resonance measurements alone cannot determine whether this pinning is due to a surface anisotropy, an inhomogeneous demagnetizing field or an inhomogeneous magnetization. The above analysis yields a value of 4πM=10,100 Oe and A = (1.03 ± .05) x 10-6 erg/cm for this alloy. The ability to obtain a unique value of A suggests that spin wave resonance can be used to accurately characterize the exchange interaction in a ferromagnet.

In an effort to resolve the ambiguity of the source of pinning of the magnetization, a correlation of the ratio of magnetic moment and X-ray film thickness with the value of effective demagnetizing field 4πNM as determined from resonance, for films 45 to 300 Å has been performed. The remarkable agreement of both quantities and a comparison with the predictions of five distinct models, strongly imply that the thickness dependence of both quantities is related to a thickness dependent average saturation magnetization, which is far below 10,100 Oe for very thin films. However, a series of complementary experiments shows that this large decrease of average saturation magnetization cannot be simply explained by either oxidation or interdiffusion processes. It can only be satisfactorily explained by an intrinsic decrease of the average saturation magnetization for very thin films, an effect which cannot be justified by any simple physical considerations.

Recognizing that this decrease of average saturation magnetization could be due to an oxidation process, a correlation of resonance measurements, He ion backscattering, X-ray fluorescence and torque magnetometer measurements, for films 40 to 3500 Å thick has been performed. On basis of these measurements it is unambiguously established that the oxide layer on the surface of purposefully oxidized 81% Ni-19% Fe evaporated films is predominantly Fe-oxide, and that in the oxidation process Fe atoms are removed from the bulk of the film to depths of thousands of angstroms. Extrapolation of results for pure Fe films indicates that the oxide is most likely α-Fe2O3. These conclusions are in agreement with results from old metallurgical studies of high temperature oxidation of bulk Fe and Ni-Fe alloys. However, X-ray fluorescence results for films oxidized at room temperature, show that although the preferential oxidation of Fe also takes place in these films, the extent of this process is by far too small to explain the large variation of their average saturation magnetization with film thickness.

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Part 1. Many interesting visual and mechanical phenomena occur in the critical region of fluids, both for the gas-liquid and liquid-liquid transitions. The precise thermodynamic and transport behavior here has some broad consequences for the molecular theory of liquids. Previous studies in this laboratory on a liquid-liquid critical mixture via ultrasonics supported a basically classical analysis of fluid behavior by M. Fixman (e. g., the free energy is assumed analytic in intensive variables in the thermodynamics)--at least when the fluid is not too close to critical. A breakdown in classical concepts is evidenced close to critical, in some well-defined ways. We have studied herein a liquid-liquid critical system of complementary nature (possessing a lower critical mixing or consolute temperature) to all previous mixtures, to look for new qualitative critical behavior. We did not find such new behavior in the ultrasonic absorption ascribable to the critical fluctuations, but we did find extra absorption due to chemical processes (yet these are related to the mixing behavior generating the lower consolute point). We rederived, corrected, and extended Fixman's analysis to interpret our experimental results in these more complex circumstances. The entire account of theory and experiment is prefaced by an extensive introduction recounting the general status of liquid state theory. The introduction provides a context for our present work, and also points out problems deserving attention. Interest in these problems was stimulated by this work but also by work in Part 3.

Part 2. Among variational theories of electronic structure, the Hartree-Fock theory has proved particularly valuable for a practical understanding of such properties as chemical binding, electric multipole moments, and X-ray scattering intensity. It also provides the most tractable method of calculating first-order properties under external or internal one-electron perturbations, either developed explicitly in orders of perturbation theory or in the fully self-consistent method. The accuracy and consistency of first-order properties are poorer than those of zero-order properties, but this is most often due to the use of explicit approximations in solving the perturbed equations, or to inadequacy of the variational basis in size or composition. We have calculated the electric polarizabilities of H2, He, Li, Be, LiH, and N2 by Hartree-Fock theory, using exact perturbation theory or the fully self-consistent method, as dictated by convenience. By careful studies on total basis set composition, we obtained good approximations to limiting Hartree-Fock values of polarizabilities with bases of reasonable size. The values for all species, and for each direction in the molecular cases, are within 8% of experiment, or of best theoretical values in the absence of the former. Our results support the use of unadorned Hartree-Pock theory for static polarizabilities needed in interpreting electron-molecule scattering data, collision-induced light scattering experiments, and other phenomena involving experimentally inaccessible polarizabilities.

Part 3. Numerical integration of the close-coupled scattering equations has been carried out to obtain vibrational transition probabilities for some models of the electronically adiabatic H2-H2 collision. All the models use a Lennard-Jones interaction potential between nearest atoms in the collision partners. We have analyzed the results for some insight into the vibrational excitation process in its dependence on the energy of collision, the nature of the vibrational binding potential, and other factors. We conclude also that replacement of earlier, simpler models of the interaction potential by the Lennard-Jones form adds very little realism for all the complication it introduces. A brief introduction precedes the presentation of our work and places it in the context of attempts to understand the collisional activation process in chemical reactions as well as some other chemical dynamics.

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对环形非稳腔激光器做数值计算模拟,给带有倒向波抑制(RWS)镜的环形非稳腔激光器的设计提供了数值参考。通过自洽方程,用Matlab计算带有倒向波抑制镜的环形非稳腔正、倒向波的稳定过程。改变腔长、放大率等参数来计算,发现使用倒向波抑制镜能明显提高正向波的输出,并能抑制倒向波。气体分子的多普勒频移导致正、倒向波的频率变化。频率分开的越小,竞争越大,抑制效果越好,正向波输出功率则有所下降。对于特定的结构,存在最佳的放大率,使正向波的输出最大。计算结果表明,倒向波抑制镜的引入能增大环形非稳腔输出功率。计算结果对实

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A presente dissertação estuda com detalhes a evolução temporal fora do equilíbrio de um condensado de Bose-Einstein homogêneo diluído imerso em um reservatório térmico. Nós modelamos o sistema através de um campo de Bose escalar complexo. É apropriado descrever o comportamento microscópico desse sistema por meio da teoria quântica de campos através do formalismo de Schwinger-Keldysh. Usando esse formalismo, de tempo real a dinâmica do condensado é solucionada por um grupo de equações integro-diferencial auto consistente, essas são solucionadas numericamente. Estudamos também o cenário quench, e como a densidade do gás e as interações entre as flutuações tem o efeito de provocar as instabilidades nesse sistema. Aplicamos esse desenvolvimento para estudar o comportamento de duas espécies homogêneas de um gás de Bose diluído imerso em um reservatório térmico.