Physical Sciences and Mathematics Commons^™

An Ellam Scheme For Multidimensional Advection-Reaction Equations And Its Optimal-Order Error Estimate, Hong Wang, Xiquan Shi, Richard E. Ewing

Faculty Publications

We present an Eulerian-Lagrangian localized adjoint method (ELLAM) scheme for initial-boundary value problems for advection-reaction partial differential equations in multiple space dimensions. The derived numerical scheme is not subject to the Courant-Friedrichs-Lewy condition and generates accurate numerical solutions even if large time steps are used. Moreover, the scheme naturally incorporates boundary conditions into its formulation without any artificial outflow boundary conditions needed, and it conserves mass. An optimal-order error estimate is proved for the scheme. Numerical experiments are performed to verify the theoretical estimate.

Semiclassical Application Of The Mo/Ller Operators In Reactive Scattering, Sophya V. Garashchuk, J. C. Light

Faculty Publications

Mo/ller operators in the formulation of reaction probabilities in terms of wave packet correlation functions allow us to define the wave packets in the interaction region rather than in the asymptotic region of the potential surface. We combine Mo/ller operators with the semiclassical propagator of Herman and Kluk. This does not involve further approximations and can be used with any initial value representation (IVR) semiclassical propagator. Time propagation in asymptotic regions of the potential due to Mo/ller operators reduces the oscillations of the propagator integrand and improves convergence of the results with respect to the number of trajectories. The effectiveness …

Self-Assembly Of A Bis-Urea Macrocycle Into A Columnar Nanotube, Linda S. Shimizu, Mark D. Smith, A. D. Hughes, Ken D. Shimizu

Faculty Publications

A bis-urea macrocycle 1 was synthesized and shown to form extended nanotubular columns byX-ray crystallography.

Structure Determination Of Ba8Corh6O21, A New Member Of The 2h-Perovskite Related Oxides, Hans Conrad Zur Loye, M. D. Smith, K. E. Stitzer, A. El Abed, J. Darriet

Faculty Publications

Single crystals of Ba₈CoRh₆O₂₁ were grown out of a potassium carbonate flux. The structure was solved by a general method using the superspace group approach. The superspace group employed was R3m(00γ)0s with a = 10.0431(1) Å, c₁ = 2.5946(1) Å and c₂ = 4.5405(1) Å, V = 226.60(1) ų. Ba₈CoRh₆O₂₁ represents the first example of an m = 5, n = 3 member of the A_3n+3mA'_nB_3m+nO_9m+6n family of 2H hexagonal perovskite related oxides and contains chains consisting of six …

Simplified Calculation Of The Stability Matrix For Semiclassical Propagation, Sophya Garashchuk, John C. Light

Faculty Publications

We present a simple method of calculation of the stability (monodromy) matrix that enters the widely used semiclassical propagator of Herman and Kluk and almost all other semiclassical propagators. The method is based on the unitarity of classical propagation and does not involve any approximations. The number of auxiliary differential equations per trajectory scales linearly rather than quadratically with the system size. Just the first derivatives of the potential surface are needed. The method is illustrated on the collinear H[sub 3] system.

A Simple Surface Temperature Assimilation Scheme For Use In Land Surface Models, Venkataraman Lakshmi

Faculty Publications

This paper examines the utilization of surface temperature as a variable which can be assimilated in off-line land surface hydrological models. The connection between the surface temperature and evapotranspiration is utilized in making adjustments to the model-computed surface soil moisture. This adjustment is a function of the difference between the model-computed and the observed surface temperature. Comparisons between the model-computed and satellite-observed surface temperatures have been carried out. The assimilation of surface temperature is carried out twice a day (corresponding to the A.M. and P.M. overpass of the NOAA 10) over the Red-Arkansas basin in the southwestern United States (31°50′N-36°N, …

The Averaging Lemma, Ronald A. Devore, Guergana Petrova

Faculty Publications

No abstract provided.

Basaltic Lava Domes, Lava Lakes, And Volcanic Segmentation On The Southern East Pacific Rise, Scott M. White, Ken C. Macdonald, Rachel M. Haymon

Faculty Publications

Meter-scale DSL-120 sonar mapping and coregistered Argo II photographic observations reveal changes in eruptive style that closely follow the third-order structural segmentation of the ridge axis on the southern East Pacific Rise, 17^o11'-18^o37'S. Near segment ends we observe abundant basaltic lava domes which average 20 rn in height and 200 rn in basal diameter and have pillow lava as the dominant lava morphology. The ubiquity of pillow lava suggests low effusion rate eruptions. The abundance of lava domes suggests that the fissure eruptions were of sufficient duration to focus and produce a line of volcanic edifices. …

Effect Of Collagen Turnover On The Accumulation Of Advanced Glycation End Products, Nicole Verzijl, Jeroen Degroot, Suzanne R. Thorpe, Ruud A. Bank, J. Nikki Shaw, Timothy J. Lyons, Johannes Wj Bijlsma, Floris Pjg Lafeber, John W. Baynes, Johan M. Tekoppele

Faculty Publications

Collagen molecules in articular cartilage have an exceptionally long lifetime, which makes them susceptible to the accumulation of advanced glycation end products (AGEs). In fact, in comparison to other collagen-rich tissues, articular cartilage contains relatively high amounts of the AGE pentosidine. To test the hypothesis that this higher AGE accumulation is primarily the result of the slow turnover of cartilage collagen, AGE levels in cartilage and skin collagen were compared with the degree of racemization of aspartic acid (% D-Asp, a measure of the residence time of a protein). AGE (Ne- (carboxymethyl)lysine, Ne-(carboxyethyl)lysine, and pentosidine) and % D-Asp concentrations increased …

An Approximation To Miscible Fluid Flows In Porous Media With Point Sources And Sinks By An Eulerian-Lagrangian Localized Adjoint Method And Mixed Finite Element Methods, Hong Wang, Liang Dong, Richard E. Ewing, Stephen L. Lyons, Guan Qin

Faculty Publications

We develop an Eulerian–Lagrangian localized adjoint method (ELLAM)-mixed finite element method (MFEM) solution technique for accurate numerical simulation of coupled systems of partial differential equations (PDEs), which describe complex fluid flow processes in porous media. An ELLAM, which was shown previously to outperform many widely used methods in the context of linear convection-diffusion PDEs, is presented to solve the transport equation for concentration. Since accurate fluid velocities are crucial in numerical simulations, an MFEM is used to solve the pressure equation for the pressure and Darcy velocity. This minimizes the numerical difficulties occurring in standard methods for approximating velocities caused …

Pyridoxamine, An Inhibitor Of Advanced Glycation Reactions, Also Inhibits Advanced Lipoxidation Reactions: Mechanism Of Action Of Pyridoxamine, Joelle M. Onorato, Alicia J. Jenkins, Suzanne R. Thorpe, John W. Baynes

Faculty Publications

Maillard or browning reactions lead to formation of advanced glycation end products (AGEs) on protein and contribute to the increase in chemical modification of proteins during aging and in diabetes. AGE inhibitors such as aminoguanidine and pyridoxamine (PM) have proven effective in animal model and clinical studies as inhibitors of AGE formation and development of diabetic complications. We report here that PM also inhibits the chemical modification of proteins during lipid peroxidation (lipoxidation) reactions in vitro, and we show that it traps reactive intermediates formed during lipid peroxidation. In reactions of arachidonate with the model protein RNase, PM prevented modification …

Low Temperature Anomaly In Mesoscopic Kondo Wires, P. Mohanty, Richard A. Webb

Faculty Publications

We report the observation of an anomalous magnetoresistance in extremely dilute quasi-one-dimensional AuFe wires at low temperatures, along with a hysteretic background at low fields. The Kondo resistivity does not show the unitarity limit down to the lowest temperature, implying uncompensated spin states. We suggest that the anomalous magnetoresistance may be understood as the interference correction from the accumulation of geometric phase in the conduction electron wave function around the localized impurity spin.

Ac Susceptibility Of Sr3CuptXIr1-XO6: A Magnetic System With Competing Interactions And Dimensionality, S H. Irons, T D. Sangrey, K M. Beauchamp, M D. Smith, Hans Conrad Zur Loye

Faculty Publications

Sr₃CuPt_xIr_1-xO₆ has been cited as an example of a one-dimensional quantum spin chain with competing ferromagnetic and antiferromagnetic interactions. We have measured the ac susceptibility of Sr₃CuPt_xIr_1-xO₆ with x=0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, and 0.7, in magnetic fields of 0–60 kOe, and at temperatures down to 0.275 K. Our data show that the x=endpoint Sr₃CuIrO₆, exhibits long-range ferromagnetic order at T=20.1 K, contrary to results from dc susceptibility studies which indicated that it remained a one-dimensional ferromagnet to below 4 …

3d Outside Cell Interference Factor For An Air-Ground Cdma ‘Cellular’ System, David W. Matolak

Faculty Publications

We compute the outside-cell interference factor of a code-division multiple-access (CDMA) system for a three-dimensional (3-D) air-to-ground (AG) "cellular-like" network consisting of a set of uniformly distributed ground base stations and airborne mobile users. The CDMA capacity is roughly inversely proportional to the outside-cell interference factor. It is shown that for the nearly free-space propagation environment of these systems, the outside-cell interference factor can be larger than that for terrestrial propagation models (as expected) and depends approximately logarithmically upon both the cell height and cell radius.

An Optimal-Order Error Estimate For An Ellam Scheme For Two-Dimensional Linear Advection-Diffusion Equations, Hong Wang

Faculty Publications

An Eulerian-Lagrangian localized adjoint method (ELLAM) is presented and an- alyzed for two-dimensional linear advection-diffusion partial differential equations (PDEs). An optimal-order error estimate in the L^2 norm and a superconvergence estimate in a discrete H^1 norm are derived. Numerical experiments are performed to verify the theoretical estimates.

Comparison Of Tovs-Derived Land Surface Variables With Ground Observations, Venkataraman Lakshmi, Joel Susskind

Faculty Publications

The Tiros Operational Vertical Sounder (TOVS) Pathfinder Path A retrieved surface skin temperature, surface air temperatures, and surface specific humidity are compared with data obtained from three large-scale field campaigns: the First ISLSCP (International Satellite Land Surface Climatology Project) Field Experiment (FIFE), the Hydrologic Atmospheric Pilot Experiment (HAPEX) in the Sahel, and the Boreal Ecosystem-Atmosphere Study (BOREAS). The long-term estimates of surface skin temperatures, surface air temperatures, and surface vapor pressure were unbiased, and the standard deviations of the errors were about 4°C, 3.5°C, and 3.5 mbar, respectively. The monthly mean variables obtained from the TOVS data at four times …

Structural And Electrical Characterization Of A Novel Mixed Conductor: Ceo2 - Sm2O3 - Zro2 Solid Solution, W. Huang, P. Shuk, M. Greenblatt, M. Croft, Fanglin Chen, M. Liu

Faculty Publications

solid solutions were synthesized for the first time by the hydrothermal method. The electrical properties of the solid solutions have been studied in air and under reducing conditions. Solid solutions with the fluorite structure were formed in all of the studied range of substitution after calcination at 1500°C. With increasing substitution up to 30 mol %, the electronic conductivity increases under a reducing atmosphere. The solid solution has good mixed electronic and ionic conductivity; the total conductivity is 0.42 S/cm at and 700°C with an estimated ionic conductivity of ca. .

Intersecting Chains In Finite Vector Spaces, Eva Czabarka

Faculty Publications

We prove an Erdős–Ko–Rado-type theorem for intersecting k-chains of subspaces of a finite vector space. This is the q-generalization of earlier results of Erdős, Seress and Székely for intersecting k-chains of subsets of an underlying set. The proof hinges on the author's proper generalization of the shift technique from extremal set theory to finite vector spaces, which uses a linear map to define the generalized shift operation. The theorem is the following.

For c = 0, 1, consider k-chains of subspaces of an n-dimensional vector space over GF(q), such that the smallest subspace in any chain has dimension at least …

An Ellam Scheme For Advection-Diffusion Equations In Two Dimensions, Hong Wang, Helge K. Dahle, Richard E. Ewing, Magne S. Espedal, Robert Sharpley, Shushuang Man

Faculty Publications

We develop an Eulerian--Lagrangian localized adjoint method (ELLAM) to solve two-dimensional advection-diffusion equations with all combinations of inflow and outflow Dirichlet, Neumann, and flux boundary conditions. The ELLAM formalism provides a systematic framework for implementation of general boundary conditions, leading to mass-conservative numerical schemes. The computational advantages of the ELLAM approximation have been demonstrated for a number of one-dimensional transport systems; practical implementations of ELLAM schemes in multiple spatial dimensions that require careful algorithm development are discussed in detail in this paper. Extensive numerical results are presented to compare the ELLAM scheme with many widely used numerical methods and to …

Dynamics Of Formation Of Soliton Conductivity In A 2 D-Array Of Linear Chains Containing Commensurate Charge Density Waves Near The Contact With A Normal Metal, Yuriy V. Pershin Dr, Alexander S. Rozhavsky

Faculty Publications

We make a numerical study of the conversion of conduction electrons into charge density wave (CDW) topological solitons at the interface between a normal metal and a 2D-array of the CDW-carrying linear chains. The interplay of commensurability potential, interchain interaction, and electric field on the dynamics of soliton formation is studied. When the interchain interaction exceeds the commensurability energy, the dynamic mechanism of creation of fractionally charged solitons near the contact is suppressed and specific contact nonlinearity in transport current is not observed.

Semiclassical Calculation Of Cumulative Reaction Probabilities, David J. Tannor, Sophya V. Garashchuk

Faculty Publications

Calculation of chemical reaction rates lies at the very core of theoretical chemistry. The essential dynamical quantity which determines the reaction rate is the energy-dependent cumulative reaction probability, N(E), whose Boltzmann average gives the thermal rate constant, k(T). Converged quantum mechanical calculations of N(E) remain a challenge even for three- and four-atom systems, and a longstanding goal of theoreticians has been to calculate N(E) accurately and efficiently using semiclassical methods. In this article we present a variety of methods for achieving this goal, by combining semiclassical initial value …

Distribution Of Isolated Volcanoes On The Flanks Of The East Pacific Rise, 15.3°-20°S, Scott M. White, Ken C. Macdonald, Daniel S. Scheirer, Marie-Helene Cormier

Faculty Publications

Volcanic constructions, not associated with seamount (or volcano) chains, are abundant on the flanks of the East Pacific Rise (EPR) but are rare along the axial high. The distribution of isolated volcanoes, based on multibeam bathymetric maps, is approximately symmetric about the EPR axis. This symmetry contrasts with the asymmetries in the distribution of volcano chains (more abundant on the west flank), the seafloor subsidence rates (slower on the west flank), and the distribution of plate-motion-parallel gravity lineaments (more prominento nthe west flank). Most of the isolated volcanoes complete their growth within -14 km of the axis on crust younger …

Principal Component Mapping Applied To Raman Microspectroscopy Of Fiber-Reinforced Polymer Composites, C. M. Stellman, K. S. Booksh, A. R. Muroski, M. P. Nelson, Michael L. Myrick

Faculty Publications

We describe the development and implementation of a spectroscopic Raman imaging system using Principal Component data analysis. Raman microspectroscopy followed by multivariate data analysis and principal component mapping has been used to investigate the spatial variations of chemical and physical properties at interfaces in glass-reinforced composites on the micrometer scale. A protocol for monitoring chemical and physical variances via multivariate statistics has been developed and a preliminary study of a "real world" glass-reinforced composite is presented. It is demonstrated that multivariate Raman imaging is more precisely interpretable than traditional univariate methods and that by appropriately choosing distinct spectral regions (such …

Insulator-Metal Crossover Near Optimal Doping In Pr22xcexcuo4: Anomalous Normal-State Low Temperature Resistivity, P. Fournier, P. Mohanty, E. Maiser, S. Darzens, T. Venkatesan, C. J. Lobb, G. Czjzek, Richard A. Webb, R. L. Greene

Faculty Publications

Normal-state resistivity measurements at high fields and low temperatures in electron-doped Pr_2-xCe_xCuO₄ thin films reveal an insulator-metal crossover near a doping level x≈0.15, similar to a previous report on hole-doped La_2-xSr_xCuO₄. The temperature dependence of the resistivity of insulatinglike samples is sublogarithmic, while for metallic samples (with x = 0.17) the resistivity is linear from 40 mK to 40 K. This surprising latter observation suggests an unusual contribution to the scattering processes at low temperature in these materials. We conclude that the ground state at x = 0.15, corresponding …

Chemical Signals From Submarine Fluid Advection Onto The Continental Shelf, W. S. Moore, Timothy J. Shaw

Faculty Publications

No abstract provided.

The Sharp Sobolev Inequality And The Banchoff-Pohl Inequality On Surfaces, Ralph Howard

Faculty Publications

No abstract provided.

Correlation Function Formulation For The State Selected Total Reaction Probability, Sophya Garashchuk, David J. Tannor

Faculty Publications

Investigates the correlation function formulation for the state selected total reaction probability. Discussion of the wave packet propagation; Derivation of the correlation function expression for the N[sub alpha](E); Application of quantum-mechanical and Herman-Kluk propagation methods.

Role Of The Maillard Reaction In Aging Of Tissue Proteins: Advanced Glycation End Product-Dependent Increase In Imidazolium Cross-Links In Human Lens Proteins, Elisabeth Brinkmann Frye, Thorsten P. Degenhardt, Suzanne R. Thorpe, John W. Baynes

Faculty Publications

Dicarbonyl compounds such as glyoxal and methylglyoxal are reactive dicarbonyl intermediates in the nonenzymatic browning and cross-linking of proteins during the Maillard reaction. We describe here the quantification of glyoxal and methylglyoxal-derived imidazolium cross-links in tissue proteins. The imidazolium salt cross-links, glyoxal-lysine dimer (GOLD) and methylglyoxal-lysine dimer (MOLD), were measured by liquid chromatography/mass spectrometry and were present in lens protein at concentrations of 0. 02-0.2 and 0.1-0.8 mmol/mol of lysine, respectively. The lens concentrations of GOLD and MOLD correlated significantly with one another and also increased with lens age. GOLD and MOLD were present at significantly higher concentrations than the …

Search For A New Gauge Boson In Π0 Decays, Nomad Collaboration, J. Altegoer, D. Autiero, A. Baldisseri, M. Baldo-Ceolin, G. Ballocchi, M. Banner, S. Basa, G. Bassompierre, K. Benslama, N. Besson, I. Bird, B. Blumenfeld, F. Bobisut, J. Bouchez, S. Boyd, A. Bueno, S. Bunyatov, L. Camilleri, K. Zuber, Roberto Petti, Et. Al.

Faculty Publications

A search was made for a new light gauge boson X which might be produced in π⁰→γ+X decay from neutral pions generated by 450 GeV protons in the CERN SPS neutrino target. The X's would penetrate the downstream shielding and be observed in the NOMAD detector via the Primakoff effect, in the process of X→π⁰ conversion in the external Coulomb field of a nucleus. With 1.45×10¹⁸ protons on target, 20 candidate events with energy between 8 and 140 GeV were found from the analysis of neutrino data. This number is in …

Precambrian Moho Offset And Tectonic Stability Of The East European Platform From The Urseis Deep Seismic Profile, Camelia C. Diaconescu, James H. Knapp, Larry D. Brown, David N. Steer, Manfred Stiller

Faculty Publications

Deep seismic reflection data from the 1995 Urals Seismic Experiment and Integrated Studies (URSEIS) transect of the Southern Urals document a distinct ∼5 km vertical offset of the Moho beneath the Uralian foreland, here named the Makarovo fault zone. This offset does not disrupt the overlying Riphean sedimentary section, nor does it correlate with any major surface lineaments or known Phanerozoic subduction features. It is thus interpreted to be an Archean or Early Proterozoic fault zone (possibly a terrane boundary) that disrupts an even older Moho. Most important is the implication that this structure and the Moho it offsets were …