Ground-state properties of LiV2O4 and Li1-xZnx(V1-yTiy)2O4

We present susceptibility, microwave resistivity, NMR and heat-capacity results for Li_1-xZn_x(V_1-yTi_y)₂O₄ with 0 ? x ? 0.3 and 0 ? y ? 0.3. For all doping levels the susceptibility curves can be fitted with a Curie-Weiss law. The paramagnetic Curie-Weiss temperatures remain negative with an average value close to that of the pure compound Θ≈ - 36 K. Spin-glass anomalies are observed in the susceptibility, heat-capacity and NMR measurements for both type of dopants. From the temperature dependence of the spin-lattice relaxation rate we found critical-dynamic behavior in the Zn doped compounds at the freezing temperatures. For the Ti-doped samples two successive freezing transitions into disordered low-temperature states can be detected. The temperature dependence of the heat capacity for Zn-doped compounds does not resemble that of canonical spin glasses and only a small fraction of the total vanadium entropy is frozen at the spin-glass transitions. For pure LiV₂O₄ the spin-glass transition is completely suppressed. The temperature dependence of the heat capacity for LiV₂O₄ can be described using a nuclear Schottky contribution and the non-Fermi liquid model, appropriate for a system close to a spin-glass quantum critical point. Finally an ( x / y , T )-phase diagram for the low-doping regime is presented. Received 16 March 2001 and Received in final form 30 October 2001     

On the average complexity of 3D-Voronoi diagrams of random points on convex polytopes

It is well known that the complexity, i.e. the number of vertices, edges and faces, of the 3-dimensional Voronoi diagram of n points can be as bad as Θ(n²). It is also known that if the points are chosen Independently Identically Distributed uniformly from a 3-dimensional region such as a cube or sphere, then the expected complexity falls to O(n). In this paper we introduce the problem of analyzing what occurs if the points are chosen from a 2-dimensional region in 3-dimensional space. As an example, we examine the situation when the points are drawn from a Poisson distribution with rate n on the surface of a convex polytope. We prove that, in this case, the expected complexity of the resulting Voronoi diagram is O(n).     

X-Ray Mapping and Interpretation of Scatter Diagrams

Electron beam induced quantitative X-ray mapping has become a very useful characterisation tool for determining the elemental distribution in materials, whether using energy dispersive spectroscopy or wavelength dispersive spectroscopy. The X-ray intensity distributions of the elements from an X-ray map allow us to generate two dimensional and ternary scatter diagrams thus converting spatial information into concentration dimensions, which is an important tool for displaying the spatial relationships of elements or correlated elements (phases) in materials. To best understand how to use this tool, we need to understand the production and features of the scatter diagram. The type of clustering observed in the scatter diagram, whether oval, linear or spherical, can give the major and trace element distributions within phases as well as qualitative and quantitative phase information. This paper demonstrates the generation of scatter diagrams, properties of scatter diagrams, interpretation of scatter diagrams and the advantages of scatter diagrams through the use of examples.     

Multinomial permutations on a circle

Multinomial permutations on a circle are considered in the framework of combinatorics. Different cases are presented and shown to agree with previously derived formula for the number of cyclic necklaces. Two applied examples are discussed with a view to illustrate the implications of derived formulas. Copyright © 2006 John Wiley & Sons, Ltd.     

Wave-vector diagrams for two-dimensional photonic crystals

Photonic crystals exhibit band gaps, meaning that electromagnetic fields cannot propagate in them for specific ranges of wavelengths and directions. The calculation of band structure diagrams has been intensively studied and is now well understood. In contrast to that, so-called wave-vector diagrams (i.e. dispersion surfaces, depicting the loci of all relevant wave vectors at a fixed wavelength) are less known and used. In principle, they show how the effective index of the structure depends on the direction of propagation. A method to calculate explicitly wave-vector diagrams for two-dimensional photonic crystals is derived which leads finally to quadratic eigenvalue problems. Results for square and triangular lattices are presented and some applications are discussed.     

Quantitative theory of living free‐radical polymerization. III. Calculation of copolymerization products' spinodal

The problem of finding conditions of the loss of thermodynamic stability by the reaction system was solved on the basis of the developed theory of living free‐radical copolymerization. The spinodal's calculations were carried out for a significant number of systems differing in the values of kinetic, stoichiometric, and thermodynamic parameters. Analysis of the results of such calculations revealed some regularities in the spinodal curves' behavior and permitted us to classify their possible topological types. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 892–902, 2003     

New results for virial coefficients of hard spheres inD dimensions

We present new results for the virial coefficientsB _k for κ<- 10 for hard spheres in dimensionsD = 2,..., 8.     

The phase diagram of a single polymer chain: New insights from a new simulation method

We present simulation results for the phase behavior of a single chain for a flexible lattice polymer model using the Wang-Landau sampling idea. Applying this new algorithm to the problem of the homopolymer collapse allows us to investigate not only the high temperature coil–globule transition but also an ensuing crystallization at lower temperature. Performing a finite size scaling analysis on the two transitions, we show that they coincide for our model in the thermodynamic limit corresponding to a direct collapse of the random coil into the crystal without intermediate coil–globule transition. As a consequence, also the many chain phase diagram of this model can be predicted to consist only of gas and crystal phase in the limit of infinite chain length. This behavior is in agreement with findings on the phase behavior of hard-sphere systems with a relatively short-ranged attractive square well. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2542–2555, 2006     

An investigation of the 2D attractive Hubbard model

We present an investigation of the 2D attractive Hubbard model, considered as an effective model relevant to superconductivity in strongly interacting electron systems. We use both hybrid Monte-Carlo simulations and existing hopping parameter expansions to explore the low temperature domain. The increase of the static S-wave pair correlation with decreasing temperature, which depends weakly on the band filling in the explored temperature range, is analyzed in terms of an expected Kosterlitz-Thouless superconducting transition. Using both our data and previously published results, we show that the evidence for this transition is weak: If it exists, its temperature is very low. The number of unpaired electrons remains nearly constant with temperature at fixed attractive potential strength. In contrast, the static magnetic susceptibility decreases fast with temperature, and cannot be related only to pair formation. We introduce a method by which the Padé approximants of the existing series for the susceptibility give sensible results down to rather low temperature region, as shown by comparison with our numerical data. Received: 30 October 1996 / Revised: 23 October 1997 / Accepted: 29 January 1998     

Topological order in the phase diagram for high-temperature superconductors with point defects

Applying a Lindemann like criterion obtained previously by Kierfeld et al. [J. Kierfeld, T. Nattermann, T. Hwa, Phys. Rev. B 55 (1997) 626], we estimate the magnetic field and temperature for a high-T_c superconductor, at which a topologically ordered vortex glass phase becomes unstable with respect to a disorder-induced formation of dislocations. The employed criterion is shown to be equivalent to a conventional phenomenological Lindemann criterion including the values for the numerical factors, i.e., for the Lindemann number. The positional correlation length of the topologically ordered vortex glass is calculated.