Fundamentals of microcrack nucleation mechanics

A foundation for ultrasonic evaluation of microcrack nucleation mechanics is identified in order to establish a basis for correlations between plane strain fracture toughness and ultrasonic factors through the interaction of elastic waves with material microstructures. Since microcracking is the origin of (brittle) fracture, it is appropriate to consider the role of stress waves in the dynamics of microcracking. Therefore, the following topics are discussed: (1) microstress distributions with typical microstructural defects located in the stress field; (2) elastic wave scattering from various idealized defects; and (3) dynamic effective-properties of media with randomly distributed inhomogeneities

Sodium vacancy ordering and the co-existence of localized spins and itinerant charges in NaxCoO2

The sodium cobaltate family (NaxCoO2) is unique among transition metal oxides because the Co sits on a triangular lattice and its valence can be tuned over a wide range by varying the Na concentration x. Up to now detailed modeling of the rich phenomenology (which ranges from unconventional superconductivity to enhanced thermopower) has been hampered by the difficulty of controlling pure phases. We discovered that certain Na concentrations are specially stable and are associated with superlattice ordering of the Na clusters. This leads naturally to a picture of co-existence of localized spins and itinerant charge carriers. For x = 0.84 we found a remarkably small Fermi energy of 87 K. Our picture brings coherence to a variety of measurements ranging from NMR to optical to thermal transport. Our results also allow us to take the first step towards modeling the mysterious ``Curie-Weiss'' metal state at x = 0.71. We suggest the local moments may form a quantum spin liquid state and we propose experimental test of our hypothesis.Comment: 16 pages, 5 figure

Quantum planes and quantum cylinders from Poisson homogeneous spaces

Quantum planes and a new quantum cylinder are obtained as quantization of Poisson homogeneous spaces of two different Poisson structures on classical Euclidean group E(2).Comment: 13 pages, plain Tex, no figure

Ballistic Annihilation Kinetics: The Case of Discrete Velocity Distributions

The kinetics of the annihilation process, $A+A\to 0$, with ballistic particle motion is investigated when the distribution of particle velocities is {\it discrete}. This discreteness is the source of many intriguing phenomena. In the mean field limit, the densities of different velocity species decay in time with different power law rates for many initial conditions. For a one-dimensional symmetric system containing particles with velocity 0 and $\pm 1$, there is a particular initial state for which the concentrations of all three species as decay as $t^{-2/3}$. For the case of a fast ``impurity'' in a symmetric background of $+$ and $-$ particles, the impurity survival probability decays as $\exp(-{\rm const.}\times \ln^2t)$. In a symmetric 4-velocity system in which there are particles with velocities $\pm v_1$ and $\pm v_2$, there again is a special initial condition where the two species decay at the same rate, t^{-\a}, with \a\cong 0.72. Efficient algorithms are introduced to perform the large-scale simulations necessary to observe these unusual phenomena clearly.Comment: 18 text pages, macro file included, hardcopy of 9 figures available by email request to S

Quantized algebras of functions on homogeneous spaces with Poisson stabilizers

Let G be a simply connected semisimple compact Lie group with standard Poisson structure, K a closed Poisson-Lie subgroup, 0<q<1. We study a quantization C(G_q/K_q) of the algebra of continuous functions on G/K. Using results of Soibelman and Dijkhuizen-Stokman we classify the irreducible representations of C(G_q/K_q) and obtain a composition series for C(G_q/K_q). We describe closures of the symplectic leaves of G/K refining the well-known description in the case of flag manifolds in terms of the Bruhat order. We then show that the same rules describe the topology on the spectrum of C(G_q/K_q). Next we show that the family of C*-algebras C(G_q/K_q), 0<q\le1, has a canonical structure of a continuous field of C*-algebras and provides a strict deformation quantization of the Poisson algebra \C[G/K]. Finally, extending a result of Nagy, we show that C(G_q/K_q) is canonically KK-equivalent to C(G/K).Comment: 23 pages; minor changes, typos correcte

The first products made in space: Monodisperse latex particles

The preparation of large particle size 3 to 30 micrometer monodisperse latexes in space confirmed that original rationale unequivocally. The flight polymerizations formed negligible amounts of coagulum as compared to increasing amounts for the ground-based polymerizations. The number of offsize large particles in the flight latexes was smaller than in the ground-based latexes. The particle size distribution broadened and more larger offsize particles were formed when the polymerizations of the partially converted STS-4 latexes were completed on Earth. Polymerization in space also showed other unanticipated advantages. The flight latexes had narrower particle size distributions than the ground-based latexes. The particles of the flight latexes were more perfect spheres than those of the ground-based latexes. The superior uniformity of the flight latexes was confirmed by the National Bureau of Standards acceptance of the 10 micrometer STS-6 latex and the 30 micrometer STS-11 latexes as Standard Reference Materials, the first products made in space for sale on Earth. The polymerization rates in space were the same as those on Earth within experimental error. Further development of the ground-based polymerization recipes gave monodisperse particles as large as 100 micrometer with tolerable levels of coagulum, but their uniformity was significantly poorer than the flight latexes. Careful control of the polymerization parameters gave uniform nonspherical particles: symmetrical and asymmetrical doublets, ellipsoids, egg-shaped, ice cream cone-shaped, and popcorn-shaped particles

Searching for Stable Na-ordered Phases in Single Crystal Samples of gamma-NaxCoO2

We report on the preparation and characterization of single crystal gamma phase NaxCoO2 with 0.25 < x < 0.84 using a non-aqueous electrochemical chronoamperemetry technique. By carefully mapping the overpotential versus x (for x < 0.84), we find six distinct stable phases with Na levels corresponding to x ~ 0.75, 0.71, 0.50, 0.43, 0.33 and 0.25. The composition with x ~0.55 appears to have a critical Na concentration which separates samples with different magnetic behavior as well as different Na ion diffusion mechanisms. Chemical analysis of an aged crystal reveals different Na ion diffusion mechanisms above and below x_c ~ 0.53, where the diffusion process above x_c has a diffusion coefficient about five times larger than that below x_c. The series of crystals were studied with X-ray diffraction, susceptibility, and transport measurements. The crystal with x = 0.5 shows a weak ferromagnetic transition below T=27 K in addition to the usual transitions at T = 51 K and 88 K. The resistivity of the Curie-Weiss metallic Na0.71CoO2 composition has a very low residual resistivity, which attests to the high homogeneity of the crystals prepared by this improved electrochemical method. Our results on the various stable crystal compositions point to the importance of Na ion ordering across the phase diagram.Comment: 9 pages, 9 figure

Hot and repulsive traffic flow

We study a message passing model, applicable also to traffic problems. The model is implemented in a discrete lattice, where particles move towards their destination, with fluctuations around the minimal distance path. A repulsive interaction between particles is introduced in order to avoid the appearance of traffic jam. We have studied the parameter space finding regions of fluid traffic, and saturated ones, being separated by abrupt changes. The improvement of the system performance is also explored, by the introduction of a non-constant potential acting on the particles. Finally, we deal with the behavior of the system when temporary failures in the transmission occurs.Comment: 22 pages, uuencoded gzipped postscript file. 11 figures include

An Empirical Charge Transfer Potential with Correct Dissociation Limits

The empirical valence bond (EVB) method [J. Chem. Phys. 52, 1262 (1970)] has always embodied charge transfer processes. The mechanism of that behavior is examined here and recast for use as a new empirical potential energy surface for large-scale simulations. A two-state model is explored. The main features of the model are: (1) Explicit decomposition of the total system electron density is invoked; (2) The charge is defined through the density decomposition into constituent contributions; (3) The charge transfer behavior is controlled through the resonance energy matrix elements which cannot be ignored; and (4) A reference-state approach, similar in spirit to the EVB method, is used to define the resonance state energy contributions in terms of "knowable" quantities. With equal validity, the new potential energy can be expressed as a nonthermal ensemble average with a nonlinear but analytical charge dependence in the occupation number. Dissociation to neutral species for a gas-phase process is preserved. A variant of constrained search density functional theory is advocated as the preferred way to define an energy for a given charge.Comment: Submitted to J. Chem. Phys. 11/12/03. 14 pages, 8 figure