Structural phase transformations and physical properties of intercalation compounds in the Cr0.5Ti(Se1−x Tex)2 system

The atomic structure and magnetic and electric properties of the Cr_0.5TiSe₂-Cr_0.5TiTe₂ system of intercalated phases were studied in detail by gradually replacing selenium by tellurium. It was revealed that this replacement changes the crystalline structure from monoclinic in the initial compounds to hexagonal in the compounds containing various types of chalcogen atoms; this is accompanied by disordering of chromium atoms in the van der Waals gaps. The electrical resistance and magnetic characteristics vary nonmonotonically on replacement of selenium by tellurium, which is associated with a change in the degree of atomic disordering during the transition from Cr_0.5TiSe₂ to Cr_0.5TiTe₂.     

Spectral Properties of Four-Dimensional Compact Flat Manifolds

We study the spectral properties of a large class of compact flat Riemannian manifolds of dimension 4, namely, those whose corresponding Bieberbach groups have the canonical lattice as translation lattice. By using the explicit expression of the heat trace of the Laplacian acting on p-forms, we determine all p-isospectral and L-isospectral pairs and we show that in this class of manifolds, isospectrality on functions and isospectrality on p-forms for all values of p are equivalent to each other. The list shows for any p, 1 ≤ p ≤ 3, many p-isospectral pairs that are not isospectral on functions and have different lengths of closed geodesics. We also determine all length isospectral pairs (i.e. with the same length multiplicities), showing that there are two weak length isospectral pairs that are not length isospectral, and many pairs, p-isospectral for all p and not length isospectral. Mathematics Subject Classifications (2000): 58J53, 58C22, 20H15.     

Equilibrium States in the Quadruple–Kerr Solution

The extended quadruple–Kerr metric is used to consider equilibrium states of four collinear Kerr particles. We explain our previous failure to solve numerically the full set of the balance equations, and we derive a self–consistent system of the axis conditions leading to the equilibrium of all four constituents which can be black holes or hyperextreme objects. The equilibrium configurations obtained in this paper exhibit similar features with those occurring in the systems of two Kerr particles, for instance, the balance of four Kerr black holes with positive masses does not seem possible. Equilibrium states of two identical compound Kerr objects are also discussed.     

Quantum Conservative Gates for Finite-Valued Logics

We introduce some conservative gates for finite-valued logics which are able to realize all the main connectives of the many-valued logics of ?ukasiewicz, the MV-algebras of Chang and Brower–Zadeh algebras. After a brief exposition of the motivations for this work, the gates are defined and their properties are explored. Finally, a possible quantum realization of them is proposed, using three techniques: a “brute force” method--an extension of the Conditional Quantum Control argument, and a new technique which we call the Constants Method. For all these techniques, the unitary operator which describes the gate is a sum of local operators.     

Nanostructures in calcia stabilized hafnia thin films observed by PAC as a function of temperature

The hyperfine quadrupole interaction at Hf sites in films and powders of 14 mol% CaO–HfO₂ and 20 mol% CaO–HfO₂ has been determined as a function of temperature. Results indicate the formation of a cubic solid solution and other microstructures assigned to the ?₁ (CaHf₄O₉) and ?₂ (Ca₆Hf₁₉O₄₄) phases. Dynamical effects on the electric field gradient reveal the existence of oxygen vacancies movements in the solid solution. The thermal behavior of the relaxation constant observed in films allowed the determination of activation energies of 0.54 eV and 0.70 eV for the 14 mol% and 20 mol% CaO doped hafnias, respectively. The influence of the microdomains and the stability of the cubic solid solution are discussed.     

Integrable semiclassical deformations of general algebraic curves and associated conservation laws

Based on the Lenard relations, we completely classify integrable deformations of general algebraic curves. We construct the general solution of the Lenard relation from the invariance condition with respect to an element of the Galois group of the curve. We give some examples and also some associated conservation laws. __________ Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 151, No. 3, pp. 458–469, June, 2007.     

Applications of density functional theory methods in millimeter‐wave spectroscopy

Density functional theory (DFT), using the most common functionals, and ab initio quantum chemistry methods are used to calculate the rotational constants and dipole moments of the astrophysically important molecules HCN, CH₃CN, CH₃CNH⁺, HCCCN, and HCCNC. As far as millimeter‐wave spectroscopy is of interest the DFT methods performed well with most functionals, giving results within ±1% of experiments for rotational constants and ±3% for dipole moments. Analyzing the results obtained with all theoretical models, it may be concluded that the Becke's three‐parameter exchange functional and the gradient‐corrected functional of Lee, Yang, and Paar (B3LYP) and Becke's three‐parameter functional with Perdew–Wang correlational functional [B3PW91/6‐31G(d, p)] give the best performances. A detailed analysis of the electron correlation effects shows that HCCCN is more stable than is HCCNC, by 1.16 eV, with important contribution arising from triple excitations. This result is also compared with those obtained with DFT methods. Despite occasional difficulties, DFT with the currently available functionals are of great utility in quickly assessing spectroscopic parameters of astrophysical interest. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003     

Gelation of poly(n-butylisocyanate) in benzene

Poly (n-butylisocyanate)-benzene solutions prepared by solubilization at 45°C, followed by aging at room temperature were found to be metastable for months, although, eventually, they separated into a birefringent polymer-rich phase and an isotropic solution. These metastable solutions, as well as isothermally phase-separated biphasic samples, flowed and exhibited dynamic moduli indicative of low polymer connectivity. By contrast samples prepared by a freeze-thaw cycle were uniformly and highly birefringent and showed network (gel) behavior at room temperature. The mechanism of gel formation is most likely the exclusion of the polymer from the benzene crystal during crystallization, forcing the polymer to align and exist at grain boundaries. Films formed from solutions have different moduli than those formed from gels, and are consistent with the proposed mechanism.     

Maximum Principles for Infinite Dimensional Diffusion Equations

In this paper we prove the validity of the Maximum Principle for some class of elliptic and parabolic equations of diffusion type in infinite dimension. The main tools are Asplund’s theorem and Preiss’ theorem on differentiability of Lipschitz functions in Banach space.