Theoretical Study on the Second Hyperpolarizabilities for Small Radical Systems

We study the second hyperpolarizabilities (ɣ) for anion, neutral and cation radicals and find that magnitudes of ɣ (| ɣ |) of the radicals are sensitively influenced by features of each charged state. It is also found that electron-correlation dependence of ɣ could be related to the resonance structure contributing to the ground state of the molecules.This paper was originally presented at the 5th International Conference on NEAR FIELD OPTICS and RELATED TECHNOLOGIES (NFO-5), which was held on December 6–10, 1998 at Coganoi Bay Hotel, Shirahama, Japan, in cooperation with the Japan Society of Applied Physics and Mombusho Grant-in Aid for Scientific Research on Priority Areas “Near-field Nano-optics” Project, sponsored by Japan Society for the Promotion of Science.     

Phase Diagrams of Polytype Transformations in Close-Packed Crystals Including Metastable States

The paper offers a method for calculating phase diagrams of polytype transformations in close-packed crystals based on the generalized axial Ising's model of finite dimensions at non-zero temperatures. Using the Metropolis algorithm, the behavior of systems with polytype transitions is studied under the conditions of changing external shear stress and temperature. The longest polytype period considered here is taken to be 30 close-packed planes.     

Detonability limits in thin annular channels

In this paper, detonability limits in two-dimensional annular channels are investigated. Since the channel heights are small in comparison to the tube diameter, curvature effects can be neglected and the annular channels can be considered to be essentially two-dimensional. Mixtures that are highly diluted with argon are used since previous investigations seem to indicate that detonations in such mixtures are “stable” in that cellular instabilities play minor roles on the propagation of the detonation. For stable detonations where the ZND structure is valid, boundary layer effects can be modeled as a flow divergence term in the conservation of mass equation following the pioneering work of Fay [J.A. Fay, Phys. Fluids 2(3) (1959) 283–289]. Expansion due to flow divergence in the reaction zone results in a velocity deficit. There exists a maximum deficit when an eigenvalue detonation velocity can no longer be found, which can be taken as the onset of the detonability limits. Experimentally, it was found that unlike “unstable” detonations, the detonability limits for “stable” detonations are well-defined. No unstable near-limit phenomena (e.g., galloping detonations) was observed. Good agreement is found between the theoretical predictions and the experimentally obtained velocity deficits and limits in the two channel heights of 2.2 and 6.9 mm for hydrogen–oxygen and acetylene–oxygen mixtures diluted with over 50% argon. It may be concluded that at least for these special mixtures where the detonation is “stable,” the failure mechanism is due to flow divergence caused by the negative displacement thickness of the boundary layer behind the leading shock front of the detonation wave.     

Experimental study of flame stabilization in low Reynolds and Dean number flows in curved mesoscale ducts

Flame stabilization during non-premixed combustion in curved ducts with a diameter of the order of magnitude of the premixed flame thickness of the reactants was investigated experimentally, since it has been established that this is a configuration with potential advantages in the context of “micro”-combustion. It was shown that, in such “mesoscale” tubes, a stable flame oscillation including extinction/re-ignition phenomena can be established for steady boundary conditions. These oscillations lead, under appropriate conditions, to sound emission in the 50–350 Hz range. This was a mode of stabilization in addition to the “classical” steady flamelet, stabilized through thermal losses to the duct walls at higher values of the Reynolds number. Curvature of the duct was shown to have minimal effect on reactant mixing, which was diffusion-controlled, but significantly affected flame thickness and stabilization. To probe the fuel-oxidizer mixing in the U-shaped, optically accessible tubes, laser induced fluorescence of acetone fuel dopant was used, and the flame structure was studied using OH PLIF. The various stabilization regimes are discussed in terms of the Reynolds and Dean numbers of the tube flow.     

On the use of a nascent delta function in radiative-transfer calculations for multi-layer media subject to Fresnel boundary and interface conditions

The “pre-processing” procedure and the “break-point” analysis developed in a previous work based on the ADO (analytical discrete ordinates) method are used, along with a nascent delta function to describe the polar-angle dependence of an incident beam, to solve the classical albedo problem for radiative transfer in a plane-parallel, multi-layer medium subject to Fresnel boundary and interface conditions. As a result of the use of a nascent delta function, rather than the Dirac distribution, to model the polar-angle dependence of the incident beam, the computational work is significantly simplified (since a particular solution is not required) in comparison to an approach where both the polar-angle and the azimuthal-angle dependence of the incident beam are formulated in terms of Dirac delta distributions. The numerical results from this approach are (when a sufficiently small “narrowness” parameter is used to define the nascent delta) found to be in complete agreement with already reported (high-quality) results for a set of challenging multi-layer problems.     

Singular critical endpoint and phase diagrams of the anisotropic 3-state Potts model on square lattice

We have studied the ground state and thermodynamic properties of the anisotropic 3-state Potts model on square lattice by means of the tensor network-based numerical method. The phase diagrams of this model in the ground state and at finite temperature are identified. The singular behavior at the critical endpoint along the phase boundary is carefully investigated. It is discovered that the sharp peaks appear in the second-order derivative of the field as well as the first-order derivative of the magnetization with respect to temperature on the phase boundary. Our numerical results confirm the prediction of Fisher et al. about the critical endpoint.     

Exact results in the two-dimensional U(1)-symmetric Thirring model

A systematic study of the ground state, excitation spectrum, and “isospin-magnetic” properties of the U(1)-Thirring model, based on its exact (Bethe-ansatz) solution, is presented. The exact results obtained for the renormalized mass spectrum in all sectors of the phase diagram of the model allow us to observe a continuous transition from the weak-coupling theory into a strong-coupling (asymptotically free) regime, taking place by varying the coupling constants, g and g. Some questions concerning universality and the relation to other models are discussed.     

The ground-state phase diagram of the spinless 1D falicov-kimball model: Numerical studies

Extrapolation of small-cluster exact-diagonalization calculations is used to study the ground state phase diagram of the spinless one-dimensional Falicov-Kimball model at half filling. Our results show that the phase diagram has an extremely simple structure for the Coulomb interactionsU≥2. Here the ground states are the most homogeneous configurations (mhc) with the smallest periods. Valence transitions are discontinuous and only of the type insulator-insulator. In this region the finite size effects are negligible and thus the picture of valence transitions is definitive. ForU<2 the phase diagram exhibits a more complicated structure. Here we have specified a domain where the ground states are the mhc and a metallic domain where the ground states are mixtures of configurations with the empty configuration. The boundary between these two domains is the boundary of discontinuous insulator-metal transitions. Unlike the caseU≥2 the valence transitions are gradual in the weak coupling limit. This work was supported by the Slovak scientific grant agency VEGA, contract No. 4177/97.     

Finite-Size Effects for the Potts Model with Weak Boundary Conditions

Using the Pirogov–Sinai theory, we study finite-size effects for the ferromagnetic q-state Potts model in a cube with boundary conditions that interpolate between free and constant boundary conditions. If the surface coupling is about half of the bulk coupling and q is sufficiently large, we show that only small perturbations of the ordered and disordered ground states are dominant contributions to the partition function in a finite but large volume. This allows a rigorous control of the finite-size effects for these weak boundary conditions. In particular, we give explicit formulæ for the rounding of the infinite-volume jumps of the internal energy and magnetization, as well as the position of the maximum of the finite-volume specific heat. While the width of the rounding window is of order L ^–d , the same as for periodic boundary conditions, the shift is much larger, of order L ^–1. For strong boundary conditions—the surface coupling is either close to zero or close to the bulk coupling—the finite size effects at the transition point are shown to be dominated by either the disordered or the ordered phase, respectively. In particular, it means that sufficiently small boundary fields lead to the disordered, and not to the ordered Gibbs state. This gives an explicit proof of A. van Enter's result that the phase transition in the Potts model is not robust.     

Single-mass-scale diagrams: construction of a basis for the -expansion

Exploring the idea of Broadhurst on the “sixth root of unity” we present an ansatz for construction of a basis of transcendental numbers for the -expansion of single mass scale diagrams with two particle massive cut. As example, several new two- and three-loop master integrals are calculated.     

Integrable boundary conditions and modified Lax equations

We consider integrable boundary conditions for both discrete and continuum classical integrable models. Local integrals of motion generated by the corresponding “transfer” matrices give rise to time evolution equations for the initial Lax operator. We systematically identify the modified Lax pairs for both discrete and continuum boundary integrable models, depending on the classical r-matrix and the boundary matrix.     

Schlieren “PIV” for turbulent flows

The possibility of using commercial PIV equipment combined with schlieren optics to measure the velocity fields of turbulent flows is explored. Given a sufficiently high Reynolds number and adequate refractive flow differences, turbulent eddies can serve as the PIV “particles” in a schlieren image or shadowgram. The PIV software analyzes motion between consecutive schlieren or shadowgraph frames to obtain velocity fields. Velocimetry examples of an axisymmetric sonic helium jet in air and a 2D turbulent boundary layer at Mach 3 are shown. Due to optical path integration, axisymmetric flows require the inverse Abel transform to extract center-plane velocity data. Conditions for optimum schlieren sensitivity are examined. In its present embodiment, “schlieren PIV” is not useful for laminar flows nor for fully 3D flows. Otherwise it functions much like standard PIV under conditions where individual particles are not resolved and velocimetry is instead based on correlation of the motion of turbulent structures. “Schlieren PIV” shows significant promise for general refractive turbulent flow velocimetry if its integrative nature can be overcome through sharp-focusing optics.     

Dynamical behavior of the phase transition of strained from atomistic simulations

Using an atomistic shell model we study the temperature dependence of the ferroelectric properties of BaTiO₃ under biaxial compressive strain applicable to growth on perovskites substrate. Molecular dynamics simulations show a “r→c→p” sequence of phase transitions when temperature is increased, and the absence of an “ac phase”. The first-order paraelectric-to-ferroelectric phase transition presents in bulk changes to a second-order one as a consequence of the in-plane constraint imposed by the mechanical boundary conditions. From the tetragonal ferroelectric c phase, the transition takes place in a finite range of temperature where the lattice parameter normal to the plane keeps approximately constant until T_c is reached. Analysis of the local polarization behavior reveals an order–disorder dynamics as the dominant mechanism of the transition.     

Density of states of superlattices with multiple layers per period

Density-of-states (DOS) investigations of polytype superlattices (SLs), whose period consists of more than two different layers, are presented. Local DOS (LDOS) is computed as a function of both the electron energy and the space coordinate, which illustrates — in a direct way — the spatial localization, over the SL period, of states forming the energy minibands. A few examples of AlGaAs-based polytype SLs with a coupled-well, step-well and δ-doped basis are analysed, indicating that various LDOS distributions within SL minibands can be arranged. By changing the basis geometry, the electronic DOS can either be selectively confined to a particular SL layer or extend over the whole SL period, which provides a means of modifying the spatial overlap of states from different SL minibands and thus, tuning the respective interband transitions. In particular, polytype SLs with similar miniband structures may exhibit essentially different LDOS features and, consequently, the different transport and optical characteristics. Therefore, it is emphasized that — for a particular device application of a complex-basis SL — not only the electronic level structure should be appropriately designed, but also the corresponding space-charge distributions should be carefully considered.     

Ground state phase diagrams for the mixed Ising 3/2 and 5/2 spin model

We calculate the ground state phase diagrams of a mixed Ising model on a square lattice where spins S (± 3/2, ± 1/2) in one sublattice are in alternating sites with spins Q (± 5/2, ± 3/2, ± 1/2), located on the other sublattice. The Hamiltonian of the model includes first neighbor interactions between the S and Q spins, next-nearest-neighbor interactions between the S spins, and between the Q spins, and crystal field. The topologies of the phase diagrams depend on the values of the parameters in the Hamiltonian. The diagrams show some key features: coexistence between regions, points where two, three, four, five and six states can coexist. Besides being very useful as a way to check the low temperature limit of the finite-temperature phase diagram, often obtained by mean-field theories, the richness of the ground state diagrams for certain combinations of parameters can be used as a guide to explore interesting regions of the finite-temperature phase diagram of the model.     

Coherence induced by incoherent pumping field and decay process in three-level Λ type atomic system

Following the method proposed by Kozlov et al. [Victor V. Kozlov, Yuri Rostovtsev, Marlan O. Scully, Phys. Rev. A 74 (2006) 063829], we have investigated the atomic coherence induced by incoherent pump and vacuum spontaneous decay process in a Λ type three-level atomic system. The system can be in a coherent population trapping state and multi-steady states in different conditions. Interestingly, two kinds of new states are derived from the system with different pumping rate and decaying rate. They are the “robust” steady state and the “weak” steady state. Under the action of pump field and vacuum reservoir, these two kinds of states exhibit stable or unstable characteristics, respectively. Moreover, by investigating the difference between these states, we reveal the mechanism of coherence excitation and level-population transition. The special feature of the Λ atomic system will promise fruitful applications in quantum optics.     

面心立方格子上自旋S=1的Ising反铁磁体的基态研究

本文发展了文献[1]中提出的利用费密变换求Ising模型基态的方法,根据由费密变换后,激发态能量大于零求得相边界,提出了直接比较各真空态能量来求解各基态的相边界。采用此方法,研究了具有近邻对相互作用的最一般的自旋S=1的Ising反铁磁体模型,严格地求得它在面心立方格子上的基态能量和零温相图。同时,还利用多相点方程,将参数k,l平面分成60个小区域,它们分别对应于各个拓扑不等价的零温相图。 关键词：     

K–K excitations on as “primary” superfields

We show that the K–K spectrum of IIB string on is described by “twisted chiral” superfields, naturally described in “harmonic superspace”, obtained by taking suitable gauge singlets polynomials of the D3-brane boundary superconformal field theory.To each p-order polynomial is associated a massive K–K short representation with states. The quadratic polynomial corresponds to the “supercurrent multiplet” describing the “massless” bulk graviton multiplet.     

Unidirectional transmission of electrons in a magnetic field gradient

This work presents an experimental demonstration of time-reversal asymmetry of electron states propagating along the boundary separating areas with opposite magnetic fields. For this purpose we have fabricated a hybrid ferromagnet– semiconductor device in the form of a Hall cross with two ferromagnets deposited on top. The magnets generated two narrow magnetic barriers of opposite polarity in the active Hall area. We have observed that if the signs of the barriers are reversed, the bend resistance changes its sign. Using the Landauer–Büttiker theory, we have demonstrated that this is a direct consequence of asymmetric transmission of the “snake” and the “cycloidal” trajectories formed at the boundary separating the regions with opposite magnetic field directions.     

Cornelius Lanczos’s Derivation of the Usual Action Integral of Classical Electrodynamics

The usual action integral of classical electrodynamics is derived starting from Lanczos’s electrodynamics – a pure field theory in which charged particles are identified with singularities of the homogeneous Maxwell’s equations interpreted as a generalization of the Cauchy–Riemann regularity conditions from complex to biquaternion functions of four complex variables. It is shown that contrary to the usual theory based on the inhomogeneous Maxwell’s equations, in which charged particles are identified with the sources, there is no divergence in the self-interaction so that the mass is finite, and that the only approximations made in the derivation are the usual conditions required for the internal consistency of classical electrodynamics. Moreover, it is found that the radius of the boundary surface enclosing a singularity interpreted as an electron is on the same order as that of the hypothetical “bag” confining the quarks in a hadron, so that Lanczos’s electrodynamics is engaging the reconsideration of many fundamental concepts related to the nature of elementary particles.