Early transition metal dopants in cuprous oxide: To spin or not to spin

We present a trend study of a large variety of dopants at the cation site in Cu₂O (i.e. substituting Cu), focussing largely on the early 3d-, 4d-, and 5d-transition metals (TMs) in which many of them are known to be non-magnetic. We also include s-, sp- and d¹⁰-metals for comparison. We find that doping with sp-elements results in zero spin moment while dopants with a partially filled d-band show a stronger tendency to magnetize and 3d-TM dopants exhibit a larger magnetic moment than most of the 4d- and 5d-TM dopants. From this trend study, we also find a correlation between their substitution enthalpy and associated interatomic relaxations. In particular, Ti-doped Cu₂O appears to be an interesting system, given its “peculiar” ability to exhibit a spin moment when doped with a non-magnetic substituent like Ti. We also find that the interaction between two doped Ti atoms in Ti₂:Cu₂O is predominantly antiferromagnetic, and interestingly (and unexpectedly), this interaction rapidly declines as a function of inter-dopant distance, as in the case for the magnetic late-TM dopants like Co₂:Cu₂O.     

Modal decomposition method for modeling the interaction of Lamb waves with cracks

The interaction of the low-order antisymmetric (a0) and symmetric (s0) Lamb waves with vertical cracks in aluminum plates is studied. Two types of slots are considered: (a) internal crack symmetrical with respect to the middle plane of the plate and (b) opening crack. The modal decomposition method is used to predict the reflection and transmission coefficients and also the through-thickness displacement fields on both sides of slots of various heights. The model assumes strip plates and cracks, thus considering two-dimensional plane strain conditions. However, mode conversion (a0 into s0 and vice versa) that occurs for single opening cracks is considered. The energy balance is always calculated from the reflection and transmission coefficients, in order to check the validity of the results. These coefficients together with the through-thickness displacement fields are also compared to those predicted using a finite element code widely used in the past for modeling Lamb mode diffraction problems. Experiments are also made for measuring the reflection and transmission coefficients for incident a0 or s0 lamb modes on opening cracks, and compared to the numerical predictions.     

Numerical solutions of the orbital equations for diatomic molecules

A basis of Hermite splines is used in conjunction with the collocation method to solve the orbital equations for diatomic molecules. Accurate solutions of the Hartree-Fock equations are obtained using iterative methods over most regions of space, while solving the equations by Gaussian elimination near the nuclear centres. In order to improve the speed and accuracy of our iterative scheme, a new self-adjoint form of the Hartree-Fock equation is derived. Using this new equation, our iterative subroutines solve the Hartree-Fock equations to one part in 10⁶. The Gaussian elimination routines are accurate to better than one part in 10⁸.     

Nonlinear resonant tunneling diode (RTD) circuits for microwave A/D conversion

Short-duration electrical pulses play important roles in ultrafast time-domain metrology: they are used to sample rapidly varying signals or as probe signals in ranging radars, time-domain reflectometry and in communication. In this work, we design a nonlinear transmission, which is loaded with resonant tunneling diode to be suitable for microwave A/D conversion. A resonant tunneling diode (RTD) has a negative differential resistance that means when the voltage increases the current decreases. The equivalent circuit of monostable line is given. The simulation is performed by using OrCad program. Results show that a spike is produced and after a charging time constant, another switching occurs. Hence – similar to a relaxation oscillator – the spiking period is determined by the amplitude and frequency of the input current. The transmission line itself ensures the generation and propagation of identical spikes, such as solitons formed after few diodes.     

Master Equation and Fokker–Planck Equation: Comparison of Entropy and of Rate Constants

A usual approximation of the master equation is provided by the Fokker–Planck equation. For chemical systems with one species, we prove generally that the prediction of the rate constant of the metastable state given by the Master equation and the Fokker–Planck approximation differ exponentially with respect to the size of the system. We show that this is related to the fact that the entropy of the metastable state is not described correctly by the Fokker–Planck equation. We prove that the rate given by the Fokker–Planck equation overestimates that rate given by the Master equation.     

Numerical predictions and experiments on the free-plate edge mode

In this paper, te edge mode variation is studied with three different methods: the reciprocal work method, already used by Torvik [J. Acoust. Soc. Am. 41 (1967) 346] to model this phenomenon, the S-parameter method and a finite element model that are applied for the first time to the study of the edge resonance. Moreover, laser probe measurements of the edge mode have also been performed and compared to the numerical predictions. The good agreement between the numerical predictions and the experimental data allows full understanding of the resonant phenomenon. The edge resonance is linked to the strong increase in amplitude of two complex Lamb waves, and the edge mode is proved to radiate into the plate as the first symmetrical Lamb mode S(0). Displacements at the edge and away from the edge have been computed and measured to evaluate the spatial and temporal behaviour of the edge mode. The dependence of the edge resonance frequency and amplitude on the Poisson coefficient has also been studied.     

Operators that are points of spectral continuity,II

This paper continues an earlier study of those bounded operators on a Hilbert space at which the spectrum is continuous, where the spectrum is considered as a function whose domain is the set of all bounded operators furnished with the norm topology and whose range is the collection of compact subsets of the complex plane furnished with the Hausdorff metric. In this paper the points of continuity of the essential spectrum, the approximate point spectrum, and certain related subsets of the spectrum are characterized.The first author was supported by National Science Foundation Grant MCS 77-28396.     

The median procedure in cluster analysis and social choice theory

Classical approachs for fitting and aggregation problems, specially in cluster analysis, social choice theory and paired comparisons methods, consist in the minimization of a remoteness function between relational data and a relational model. The notion of median, with its algebraic, metric, geometrical and statistical aspects, allow a unified treatment of many of base problems. Properties of median procedures are organized according to four directions: stabilities and axiomatic characterizations; Arrow-like properties; combinatorial properties; effective computational possibilities. Finally, interesting mathematical problems, related to the notion of median are surveyed.