Expansion of monomer units in poly(ethylene terephthalate) molecules under conditions of thermal and zero-point atomic vibrations

The temperature dependence of the expansion ?_C of trans conformers of the carbon skeleton of macromolecules in crystallized and amorphous poly(ethylene terephthalate) (PET) due to zero-point and thermal atomic vibrations is investigated by IR spectroscopy. It is found that the thermal expansion coefficient β_C jumpwise increases at the characteristic temperatures T _t and T _b. This increase is associated with the crossover from the quantum to classical statistics of torsional and bending vibration modes. The quantum and classical contributions to the expansion ?_C are determined for each mode. The quantum and classical contributions of the torsional vibrational mode in the amorphous polymer are approximately 1.5 times larger than those in the crystallized polymer. This effect is caused by an increase in the anharmonicity of torsional vibrations in the amorphous polymer.     

Stoner-Wohlfarth-type behavior of a close-packed array of high-anisotropy hexaferrite nanoparticles

Magnetization and remagnetization processes in a close-packed nanodispersed barium hexaferrite powder sample in the magnetically stable state were analyzed. Reversibility effects were discussed in terms of interparticle interaction. Judging from the magnetization curve and the parameters characterizing remagnetization irreversibility, the sample under study is a model system of small Stoner-Wohlfarth particles.     

A negatively charged silicon vacancy in SiC: Spin polarization effects

The equilibrium geometry and hyperfine interaction constants of the nearest and next-to-nearest neighbor atoms are calculated for a negatively charged silicon vacancy in the high-spin state in cubic SiC. The calculations are performed within the cluster approach in terms of the density-functional theory (DFT). It is shown that the results of calculations with the use of a 70-atom cluster are in good agreement with experimental data. A detailed consideration is given to spin polarization in the electron subsystem and the applicability of a simple LCAO model that is commonly used in the interpretation of the electron paramagnetic resonance data for semiconductors. The spin density distribution for the defect under investigation is analyzed in terms of localized orbitals.     

Vanadium valency charge state in solid solutions ScNb2−2xTa2xVO9

Phase equilibria in the Sc₂O₃-V₂O₅-Nb₂O₅-Ta₂O₅ system and properties of ScNb_2−2xTa_2xVO₉ phases were studied by X-ray phase analysis, optical and radio spectroscopy. A continuous series of solid solutions was shown to exist at 0≤x≤1. V(IV) centers with different crystallographic surrounding were detected for all the considered compositions. A correlation between the number of V(IV) ions and the width of the forbidden gap in the solid solutions was found.     

Likelihood Ratio Processes for Markovian Particle Systems with Killing and Jumps

We consider Markov processes built from pasting together pieces of strong Markov processes which are killed at a position dependent rate and connected via a transition kernel. We give necessary and sufficient conditions for local absolute continuity of probability laws for such processes on a suitable path space and derive an explicit formula for the corresponding likelihood ratio process. The main tool is the consideration of the process between successive jumps – what we call ‘elementary experiments’ – and criteria for absolute continuity of laws of the process there. We apply our results to systems of branching diffusions with interactions and immigrations. This revised version was published online in June 2006 with corrections to the Cover Date.     

Relativistic Notion of Mass and a Resolution of a Conflict Between Schopenhauer and Hegel

We discuss a mass change that has its origin in the action of forces on an object. This phenomenon, well-known in the context of quantum field theory (mass renormalization), can be discussed systematically in both classical and quantum mechanics in a framework given by Stückelberg. We employ this framework to resolve an interesting conflict of opinions between Schopenhauer and Hegel in the mid-19th century. We show that Hegel, Kant, and Schopenhauer demonstrated remarkable prescience in their views as seen from a modern perspective.     

Changes in the kurtosis parameter of super-Gaussian beams passing through a spherically aberrated lens

Based on the Collins formula and irradiance moments definition, the propagation of the kurtosis parameter of super-Gaussian beams through a spherically aberrated lens is studied. Detailed numerical results are given. It is shown that, as compared with aberration-free super-Gaussian beams, the profile of spherically aberrated super-Gaussian beams can be leptokurtic, mesokurtic or platykurtic, depending on the aberration and propagation distance. The results for the spherically aberrated Gaussian beams can be dealt with as a special case treated in this paper. Finally, the advantage of our method is pointed out.     

Equilibrium point damage prognosis models for structural health monitoring

Most structural dynamic systems are of high order; however, they often exhibit phenomena that can be dealt with effectively using low order models. This paper presents a method for describing certain kinds of damage evolution in mechanical systems. The method relies on a simple principle that as damage evolves in a structural dynamic system, the damage indicator (i.e., diagnostic feature) behaves like a stable quasi-stationary equilibrium point in a subsidiary non-linear bifurcating system within the so-called damage center manifold. It is shown that just as linear normal modes govern the behavior of linear structures with idealized damping, so too do non-linear normal forms govern the evolution of damage within structures in many instances. The method is justified with citations from the literature on certain types of mechanical failure and then applied in an experimental case involving reversible damage in a bolted fastener. Off-line experiments on a rotorcraft fuselage show that the evolution of damage is sensitive to both temporal and spatial bifurcation parameters. A diagnostic sensing strategy whereby output-only transmissibility features are used to decrease the order of high order structural dynamic measurements is also described.     

Conformational analysis of dipeptide‐derived polyisocyanides

The conformational properties of polymers derived from isocyanodipeptides have been investigated with a combination of model calculations, X‐ray diffraction, and circular dichroism spectroscopy. Depending on the configuration of the side chains, defined arrays of hydrogen bonds along the polymeric backbone are formed. This leads to a well‐defined conformation as, for example, expressed in the formation of lyotropic liquid‐crystalline phases and increased helical stability. Upon the disruption of the hydrogen bonds by a strong acid, a less well‐defined macromolecular conformation is observed. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 1725–1736, 2003