Ab initio modeling of Bose-Einstein condensation in Pb2V3O9

We apply density functional theory band structure calculations and quantum Monte Carlo simulations to investigate the Bose-Einstein condensation in the spin-1/2 quantum magnet Pb2V3O9. In contrast to previous conjectures on the one-dimensional nature of this compound, we present a quasi-two-dimensional model of spin dimers with ferromagnetic and antiferromagnetic interdimer couplings. Our model is well justified microscopically and provides a consistent description of the experimental data on the magnetic susceptibility, high-field magnetization, and field vs. temperature phase diagram. The Bose-Einstein condensation in the quasi-two-dimensional spin system of Pb2V3O9 is largely governed by intralayer interactions, whereas weak interlayer couplings have a moderate effect on the ordering temperature. The proposed computational approach is an efficient tool to analyze and predict high-field properties of quantum magnets.Comment: 6 pages, 6 figures, 1 tabl

Structural distortion and frustrated magnetic interactions in the layered copper oxychloride [CuCl]LaNb(2)O(7)

We present a computational study of the layered copper oxychloride [CuCl]LaNb(2)O(7) that has been recently proposed as a spin-1/2 frustrated square lattice compound. Our results evidence an orbitally degenerate ground state for the reported tetragonal crystal structure and reveal a Jahn-Teller-type structural distortion. This distortion heavily changes the local environment of copper -- CuO(2)Cl(2) plaquettes are formed instead of CuO(2)Cl(4) octahedra -- and restores the single-orbital scenario typical for copper oxides and oxyhalides. The calculated distortion is consistent with the available diffraction data and the experimental results on the electric field gradients for the Cu and Cl sites. The band structure suggests a complex three-dimensional spin model with the interactions up to the fourth neighbors. Despite the layered structure of (CuCl)LaNb(2)O(7), the spin system has pronounced one-dimensional features. Yet, sizable interchain interactions lead to the strong frustration and likely cause the spin-gap behavior. Computational estimates of individual exchange couplings are in qualitative agreement with the experimental data.Comment: 13 pages, 9 figures, 3 table

Extensive Air Shower Radio Detection: Recent Results and Outlook

A prototype system for detecting radio pulses associated with extensive cosmic ray air showers is described. Sensitivity is compared with that in previous experiments, and lessons are noted for future studies.Comment: 17 pages, LaTeX, 7 figures, invited talk presented by J. Rosner at RADHEP-2000 Conference, UCLA, Nov. 16-18, 2000, Proceedings published by AIP. Some figures and text changed; one reference update

Microscopic model of (CuCl)LaNb2O7: coupled spin dimers replace a frustrated square lattice

We present a microscopic model of the spin-gap quantum magnet (CuCl)LaNb2O7 that was previously suggested as a realization of the spin-1/2 frustrated square lattice. Taking advantage of the precise atomic positions from recent crystal structure refinement, we evaluate individual exchange integrals and construct a minimum model that naturally explains all the available experimental data. Surprisingly, the deviation from tetragonal symmetry leads to the formation of spin dimers between fourth neighbors due to a Cu-Cl-Cl-Cu pathway with a leading antiferromagnetic exchange J4 ~ 25 K. The total interdimer exchange amounts to 12 - 15 K. Our model is in agreement with inelastic neutron scattering results and is further confirmed by quantum Monte-Carlo simulations of the magnetic susceptibility and the high-field magnetization. Our results establish (CuCl)LaNb2O7 as a non-frustrated system of coupled spin dimers with predominant antiferromagnetic interactions and provide a general perspective for related materials with unusual low-temperature magnetic properties.Comment: 4 pages, 4 figures, 1 table + supplementar

The Effect of Ru substitution for Ni on the superconductivity in MgCNi3-xRux

The superconductor MgCNi3 has been chemically doped by partial substitution of Ru for Ni in the solid solution MgCNi3-xRux for 0<x<0.5. Magnetic and specific heat measurements show that the Sommerfeld parameter (gamma_exp) and TC decrease immediately on Ru substitution, but that a TC above 2K is maintained even for a relatively large decrease in gamma_exp. Ferromagnetism is not observed to develop through Ru substitution, and the normal state magnetic susceptibility is suppressed.Comment: 18 pages, 13 figure

Comparisons of rational engineering correlations of thermophoretically-augmented particle mass transfer with STAN5-predictions for developing boundary layers

Modification of the code STAN5 to properly include thermophoretic mass transport, and examination of selected test cases developing boundary layers which include variable properties, viscous dissipation, transition to turbulence and transpiration cooling. Under conditions representative of current and projected GT operation, local application of St(M)/St(M),o correlations evidently provides accurate and economical engineering design predictions, especially for suspended particles characterized by Schmidt numbers outside of the heavy vapor range

On the miscible Rayleigh-Taylor instability: two and three dimensions

We investigate the miscible Rayleigh-Taylor (RT) instability in both 2 and 3 dimensions using direct numerical simulations, where the working fluid is assumed incompressible under the Boussinesq approximation. We first consider the case of randomly perturbed interfaces. With a variety of diagnostics, we develop a physical picture for the detailed temporal development of the mixed layer: We identify three distinct evolutionary phases in the development of the mixed layer, which can be related to detailed variations in the growth of the mixing zone. Our analysis provides an explanation for the observed differences between two and three-dimensional RT instability; the analysis also leads us to concentrate on the RT models which (1) work equally well for both laminar and turbulent flows, and (2) do not depend on turbulent scaling within the mixing layer between fluids. These candidate RT models are based on point sources within bubbles (or plumes) and interaction with each other (or the background flow). With this motivation, we examine the evolution of single plumes, and relate our numerical results (of single plumes) to a simple analytical model for plume evolution.Comment: 31 pages, 27 figures, to appear in November issue of JFM, 2001. For better figures: http://astro.uchicago.edu/~young/ps/jfmtry08.ps.

Square-lattice magnetism of diaboleite Pb2Cu(OH)4Cl2

We report on the quasi-two-dimensional magnetism of the natural mineral diaboleite Pb2Cu(OH)4Cl2 with a tetragonal crystal structure, which is closely related to that of the frustrated spin-1/2 magnet PbVO3. Magnetic susceptibility of diaboleite is well described by a Heisenberg spin model on a diluted square lattice with the nearest-neighbor exchange of J~35 K and about 5% of non-magnetic impurities. The dilution of the spin lattice reflects the formation of Cu vacancies that are tolerated by the crystal structure of diaboleite. The weak coupling between the magnetic planes triggers the long-range antiferromagnetic order below TN~11 K. No evidence of magnetic frustration is found. We also analyze the signatures of the long-range order in heat-capacity data, and discuss the capability of identifying magnetic transitions with heat-capacity measurements.Comment: 10 pages, 10 figures + Supplementary Informatio