Methane activation over Ag-exchanged ZSM-5 zeolites: A theoretical study

Methane activation catalyzed over Ag-exchanged ZSM-5 zeolites was investigated by using the density functional theory (DFT) with a cluster model. Two different pathways were taken into account in this work: the “alkyl” and the “carbenium” pathways. The activation barriers obtained are 34.09 and 66.63 kcal/mol for the “alkyl” and the “carbenium” pathway, respectively. The calculated results show that the activation barrier of the “alkyl” pathway is smaller than that of “carbenium” pathway. Consequently, the “alkyl” pathway is the preferential reaction pathway. A new mechanism of methane conversion in the presence of ethene was proposed. In the catalytic cycle, the initial step of methane activation proceeds with the “alkyl” pathway and the Ag⁺ cation acts as an acceptor of the methyl group, then ethene reacts with the Ag⁺CH₃⁻ group to form propene. In addition, it is found that the Ag⁺ cations play an important role in the methane activation, compared with the reaction of methane activation over H-ZSM-5.     

Extended conformal symmetries

We discuss various aspects of two-dimensional extended conformal symmetries, better known under the name “W-symmetries”. In particular, we discuss the gauging of W - symmetries and the construction of the so-called “W-gravity” theories.     

Monte Carlo simulations on a rigid-rod model for a langmuir monolayer

A monolayer of amphiphilic molecules on water surface (Langmuir monolayer) at the so-called “solid” phase is studied using Monte Carlo simulations. Each molecule is considered to be a rigid rod, one end (the hydrophilic “head”) of which is assumed to be fixed on a two-dimensional lattice, while the other end (the hydrophobic “tail”) interacts with its nearest and next-nearest neighbours through the Lennard-Jones potential. With increase in temperature, the system undergoes a first-order transition from a low-tilt to a high-tilt phase. With increase in tail-length, the two-phase coexistence region decreases and the transition becomes sharper.     

On the low-frequency limit of the Schönfeld pulse 1/f law

On the basis of propositions of the common fluctuation theory, peculiarities of small fluctuations in real physical systems with limited sizes are analyzed. It is established that small fluctuations should necessarily be divided into two types of fluctuations: “small” and “very small”. It is shown that the damping process of “small” fluctuations has relaxation character, while the damping process of “very small” fluctuations is of random character, i.e., it represents a random rectangular signal. The probability density of “very small” fluctuations is shown to be Gaussian. The agreement of the obtained results with experimental data acquired from semiconductor-based devices is analyzed. A relation between the generation–recombination noise and phonon number fluctuations in semiconductors is studied. On the basis of this consideration it is shown that the Schönfeld pulse spectrum preserves its well-known 1/f form only in the range of intermediate frequencies; at lower frequencies the spectrum gets saturated. An expression for the low-frequency limit of Schönfeld pulse 1/f law is obtained.     

Dynamic observations of the formation of thin Cu layers on clean and hydrogen-terminated Si(1 1 1) surfaces

The growth of Cu on the clean and hydrogen-terminated Si(1 1 1) surfaces is studied in situ by low-energy electron microscopy (LEEM). The dependence of the growth of the “5×5” layer on the clean Si(1 1 1) 7×7 surface upon the deposition temperature is investigated by combining LEEM with LEED. After completion of the “5×5” layer not only the regular-shaped three-dimensional islands reported before are observed but also irregular shaped more two-dimensional islands. On the hydrogen-terminated Si(1 1 1) surface the formation of the “5×5” structure is suppressed and nano-scale islands form preferentially at the step edges and domain boundaries. This is attributed to the enhancement of the surface migration of Cu atoms by the elimination of the surface dangling bonds.     

Divisors on elliptic Calabi-Yau 4-folds and the superpotential in F-theory — I

Each smooth elliptic Calabi-Yau 4-fold determines both a three-dimensional physical theory (a compactification of “M-theory”) and a four-dimensional physical theory (using the “F-theory” construction). A key issue in both theories is the calculation of the “superpotential” of the theory, which by a result of Witten is determined by the divisors D on the 4-fold satisfying X( _D = 1. We propose a systematic approach to identify these divisors, and derive some criteria to determine whether a given divisor indeed contributes. We then apply our techniques in explicit examples, in particular, when the base B of the elliptic fibration is a toric variety or a Fano 3-fold.

When B is Fano, we show how divisors contributing to the superpotential are always “exceptional” (in some sense) for the Calabi-Yau 4-fold X. This naturally leads to certain transitions of X, i.e., birational tranformations to a singular model (where the image of D no longer contributes) as well as certain smoothings of the singular model. The singularities which occur are “canonical”, the same type of singularities of a (singular) Weierstrass model. We work out the transitions. If a smoothing exists, then the Hodge numbers change.

We speculate that divisors contributing to the superpotential are always “exceptional” (in some sense) for X, also in M-theory. In fact we show that this is a consequence of the (log)-minimal model algorithm in dimension 4, which is still conjectural in its generality, but it has been worked out in various cases, among which are toric varieties.     

Analysis of the critical behaviour of curved regions in equilibrium shapes of in crystals

Crystal shapes near {111} facets have been analyzed on indium crystals in their equilibrium shape. These measurements are compared with two theoretical concepts of the critical behaviour of curved regions: the “Pokrovsky-Talapov transition” and the “mean field theory”. Taking into account, on the one hand, the inaccuracy of the experimental determination of the origin of the curved region and, on the other hand, the “window” of validity of the Pokrovsky-Talapov transition theory, the choice between the two theories is difficult. Nevertheless the analytical expression of the mean field theory reproduces surprisingly well all the points of the experimental profile.     

Completeness of “good” Bethe ansatz solutions of a quantum-group-invariant Heisenberg model

The sl_q(2) quantum-group-invariant Heisenberg model with open boundary conditions is investigated by means of the Bethe ansatz. As is well known, quantum groups for q equal to a root of unity possess a finite number of “good” representations with non-zero q-dimension and “bad” ones with vanishing q-dimension. Correspondingly, the state space of an invariant Heisenberg chain decomposes into “good” and “bad” states. A “good” state may be described by a path of only “good” representations. It is shown that the “good” states are given by all “good” Bethe ansatz solutions with roots restricted to the first periodicity strip, i.e. only positive-parity strings (in the language of Takahashi) are allowed. Applying Bethe's string-counting technique completeness of the “good” Bethe states is proven, i.e. the same number of states is found as the number of all restricted paths on the sl_q(2) Bratteli diagram. It is the first time that a “completeness” proof for an anisotropic quantum-invariant reduced Heisenberg model is performed.     

Discrete gauge symmetry anomalies

It has been recently argued that quantum gravity effects strongly violate all non-gauge symmetries. This would suggest that all low energy discrete symmetries should be gauge symmetries, either continuous or discrete. Acceptable continuous gauge symmetries are constrained by the condition they should be anomaly free. We show here that any discrete gauge symmetry should also obey certain “discrete anomaly cancellation” conditions. These conditions strongly constrains the massles fermion content of the theory and follow from the “parent” cancellation of the usual continuous gauge anomalies. They have interesting applications in model building. As an example we consider the constraints on the Z_N “generalized matter parities” of the supersymmetric standard model. We show that only a few (including the standard R-parity) are “discrete anomaly free” unless the fermion content of the minimal supersymmetric standard model is enlarged.     

Acoustic Analyses of Developmental Changes and Emotional Expression in the Preverbal Vocalizations of Infants

The nonverbal vocal utterances of seven normally hearing infants were studied within their first year of life with respect to age- and emotion-related changes. Supported by a multiparametric acoustic analysis it was possible to distinguish one inspiratory and eleven expiratory call types. Most of the call types appeared within the first two months; some emerged in the majority of infants not until the 5th (“laugh”) or 7th month (“babble”). Age-related changes in acoustic structure were found in only 4 call types (“discomfort cry,” “short discomfort cry,” “wail,” “moan”). The acoustic changes were characterized mainly by an increase in harmonic-to-noise ratio and homogeneity of the call, a decrease in frequency range and a downward shift of acoustic energy from higher to lower frequencies. Emotion-related differences were found in the acoustic structure of single call types as well as in the frequency of occurrence of different call types. A change from positive to negative emotional state was accompanied by an increase in call duration, frequency range, and peak frequency (frequency with the highest amplitude within the power spectrum). Negative emotions, in addition, were characterized by a significantly higher rate of “crying,” “hic” and “ingressive vocalizations” than positive emotions, while positive emotions showed a significantly higher rate of “babble,” “laugh,” and “raspberry.”     

Quark condensation, induced symmetry breaking and color superconductivity at high density

The phase structure of hadronic matter at high density relevant to the physics of compact stars and relativistic heavy-ion collisions is studied in a low-energy effective quark theory. The relevant phases that figure are (1) chiral condensation, (2) diquark color condensation (color superconductivity) and (3) induced Lorentz-symmetry breaking (“ISB”). For a reasonable strength for the effective four-Fermi current–current interaction implied by the low-energy effective quark theory for systems with a Fermi surface we find that the “ISB” phase sets in together with chiral symmetry restoration (with the vanishing quark condensate) at a moderate density while color superconductivity associated with scalar diquark condensation is pushed up to an asymptotic density. Consequently, color superconductivity seems rather unlikely in heavy-ion collisions although it may play a role in compact stars. Lack of confinement in the model makes the result of this analysis only qualitative but the hierarchy of the transitions we find seems to be quite robust.     

Vortices in weakly coupled layered superconductors

The vortex system in high-temperature layered superconductors exhibits a rich phase diagram with many proposals of phase transitions modifying the correlations both within and between the layers. We focus on the limit where the magnetic coupling between “pancake” vortices dominates over the interlayer Josephson coupling. The weak, but long-ranged nature of this magnetic interaction allows for an accurate “mean-field” treatment where the pancakes in each layer move independently in a self-consistent substrate potential. We calculate the form of the two relevant phase transitions in this system. First, we determine when the substrate potential is too weak to stabilize the two-dimensional (2D) fluctuations and the lattice evaporates to a pancake gas. Second, within the lattice we find a Kosterlitz–Thouless unbinding transition of vacancies and interstitials. For a small but finite Josephson term, this is identified with the phase-decoupling transition.     

Group-theoretical structure of quantum continuous measurements

The group-theoretical structure of continuous measurements is investigated in the framework of the path-integral phenomenological theory of quantum continuous measurements. The “transversal” group transforming alternative measurement results (outputs) into each other and the “longitudinal” semigroup describing the evolution of a quantum system subject to continuous measurement are introduced as well as their unification in a single semigroup. The resulting group-theoretical scheme generalizes the scheme describing the evolution of a nonrelativistic particle in an external field.     

Black hole formation in c=1 string field theory

A suggestion on how black holes may appear in Das-Jevicki collective field theory is given. We study the behaviour of a “test” particle when energy is sent into the system. A perturbation moving near the potential barrier can create a large-distance black hole geometry where the seeming curvature singularity is at the position of the barrier. In the simplest “static” case the exact D=2 black hole metric emerges.     

Retrieval of cirrus particle sizes using a split-window technique: a sensitivity study

This paper examines the sensitivity of retrieved ice particle sizes using split-window method to the light scattering program for the single scattering calculation. We find that for randomly oriented hexagonal ice particles the retrieval algorithm using the anomalous diffraction theory (ADT) significantly overestimates the mean effective ice particle sizes, D_ge. The retrieved D_ge based on the geometric optics method (GOM) and Mie theory agrees with reference results within 20% when D_ge<30 μm. Based on the speculation that there is no “tunneling” for complex particles, some recent studies suggest that the ADT is an appropriate method to simulate the absorption coefficient for irregularly shaped particles in the infrared. In this study, however, we find that the overestimation of D_ge due to the ADT is largely caused by the neglect of refraction and reflection processes, instead of by the neglect of “tunneling” in the absorption calculations. By considering complex particle shapes such as aggregates with surface roughness, we further find that the retrieved D_ge based on the GOM is not sensitive to the particle shapes. Note that both ADT and GOM do not consider the “tunneling”, but the retrieved D_ge based on the ADT is about two times larger than those based on the GOM. “Tunneling” plays a significant role in the retrieved D_ge only when the D_ge is larger than 30–35 μm. In this study, we also examine the sensitivities of retrieved D_ge to the ice particle size distributions assumed in the retrieval algorithm and to the errors in the emissivities. It is found that when the D_ge is larger than 30–40 μm, the retrieved D_ge becomes very sensitive to the uncertainties related to the ice particle size distributions and to the errors in cirrus emissivities derived from measurements.     

Ge:Ga photoconductor arrays: Design considerations and quantitative analysis of prototype single pixels

We have conducted a series of experiments on Ge:Ga photoconductors to quantitatively understand how monolithic two-dimensional arrays of this material will perform. Various single pixel prototypes were built and tested in terms of responsivity and detective quantum efficiency, and the results are plotted and compared with the expected absorption efficiency for these devices. All tests were conducted at 89.9 μm. wavelength (bandwidth = 11.9 μm), using standard transimpedence amplifiers and low background conditions. The best performance was obtained for a 2 mm long “longitudinally-contacted” detector that was not mounted inside of an integrating cavity: RESPONSIVITY = 5.2 A/W, and detective quantum EFFICIENCY = 7.7%. The configuration of this device is easily expanded into a two-dimensional format.     

Order-disorder transition in a system of magnetic holes

Polystyrene spheres of the same size (10–100μm) dispersed in ferrofluid produce voids, which have been denoted magnetic holes. A two-dimensional system of interacting magnetic holes confined between two glass plates and subject to rotating magnetic fields in the sample plane are studied in a light microscope. For low frequencies of the field rotation, the holes form pairs, which arrange themselves in a regular triangular lattice when stabilized with a weak constant field normal to the sample plane. By increasing the frequency of the rotating field, we observe that above a critical frequency, the steady forward rotation of the pairs is interrupted by backward rotations in short time intervals. Because the intervals of backward rotation occur at different times for each individual pair, disorder is introduced in the system, and the triangular lattice of pairs “melts” and forms a liquid-like structure at high rotation frequencies of the field. This “melting” transition is observed both directly and in light scattering experiments using a laser.     

The evolution of track theory throughout the history of the international solid state detector conferences

This work is devoted to the 20th Anniversary of the international “Nuclear Tracks in Solids” conferences. Several principal stages of track theory evolution have been analyzed.     

The pion velocity at chiral restoration and the vector manifestation

We study the effects of Lorentz non-invariance on the physical pion velocity at the critical temperature T_c in an effective theory of hidden local symmetry (HLS) with the “vector manifestation” fixed point. We match at a “matching scale” Λ_M the axial-vector current correlator in the HLS with the one in the operator product expansion for QCD, and present the matching condition to determine the bare pion velocity. We find that the physical pion velocity, which is found to be one at T=T_c when starting from the Lorentz invariant bare HLS, remains close to one with the Lorentz non-invariance, v_π(T_c)=0.83–0.99. This result is quite similar to the pion velocity in dense matter.