Physical Sciences and Mathematics Commons^™

“[Cu(Pyrazine-2-Carboxylate)2]2Cd4I8: Unprecedented 1-D Serpentine Chains And Regular 2-D Regular Metal-Organic Square Grids In A 3-D Framework., Delia M. Ciurtin, Mark D. Smith, Hans Conrad Zur Loye

Faculty Publications

A novel three-dimensional coordination polymer containing
an unprecedented one-dimensional serpentine motif conjoined
with a two-dimensional square grid motif is presented.

Development Of Cfl-Free, Explicit Schemes For Multidimensional Advection-Reaction Equations, Hong Wang, Jiangguo Liu

Faculty Publications

We combine an Eulerian–Lagrangian approach and multiresolution analysis to develop unconditionally stable, explicit, multilevel methods for multidimensional linear hyperbolic equations. The derived schemes generate accurate numerical solutions even if large time steps are used. Furthermore, these schemes have the capability of carrying out adaptive compression without introducing mass balance error. Computational results are presented to show the strong potential of the numerical methods developed.

Origins Of Nonstoichiometry And Vacancy Ordering In Sc1-X□Xs, Gus L. W. Hart, Alex Zunger

Faculty Publications

Whereas nearly all compounds AnBm obey Dalton's rule of integer stoichiometry (n:m, both integer), there is a class of systems, exemplified by the rocksalt structure Sc1-x□xS, that exhibits large deviations from stoichiometry via vacancies, even at low temperatures. By combining first-principles total energy calculations with lattice statistical mechanics, we scan an astronomical number of possible structures, identifying the stable ground states. Surprisingly, all have the same motifs: (111) planes with (112) vacancy rows arranged in (110) columns. Electronic structure calculations of the ground states (identified out of ~3 × 10^6 structures) reveal the remarkable origins of nonstoichiometry.

Three Unique Coordination Geometries Involving 1,2-Dimethoxy-4,5-Bis(2-Pyridylethynyl)Benzene, Jeffrey E. Fiscus, Sandra Shotwell, Ralph C. Layland, Mark D. Smith, Hans Conrad Zur Loye, Uwe H. F. Bunz

Faculty Publications

Reaction of the new ligand 1,2-dimethoxy-4,5-bis(2-pyridylethynyl) benzene with different metal centers under similar reaction conditions led to three distinct structure formation processes: molecular ring closure, dimerization, and polymer formation.

Image Magnification Using Level-Set Reconstruction, Bryan S. Morse, Duane Schwartzwald

Faculty Publications

Image magnification is a common problem in imaging applications, requiring interpolation to “read between the pixels”. Although many magnification/interpolation algorithms have been proposed in the literature, all methods must suffer to some degree the effects of impefect reconstruction―false high-frequency content introduced by the underlying original sampling. Most often, these effects manifest themselves as jagged contours in the image. This paper presents a method for constrained smoothing of such artifacts that attempts to produce smooth reconstructions of the image’s level curves while still maintaining image fidelity. This is similar to other iterative reconstruction algorithms and to Bayesian restoration techniques, but instead …

Fast Focal Length Solution In Partial Panoramic Image Stitching, William A. Barrett, Kirk L. Duffin

Faculty Publications

Accurate estimation of effective camera focal length is crucial to the success of panoramic image stitching. Fast techniques for estimating the focal length exist, but are dependent upon a close initial approximation or the existence of a full circle panoramic image sequence. Numerical solutions of the focal length demonstrate strong coupling between the focal length and the angles used to position each component image about the common spherical center. This paper demonstrates that parameterizing panoramic image positions using spherical arc length instead of angles effectively decouples the focal length Ji.om the image position. This new parameterization does not require an …

Houghing The Hough: Peak Collection For Detection Of Corners, Junctions And Line Intersections, William A. Barrett, Kevin D. Petersen

Faculty Publications

We exploit the Accumulator Array of the Hough Transform by finding collections of (2 or more) peaks through which a given sinusoid will pass. Such sinusoids identify points in the original image where lines intersect. Peak collection (or line aggregation) is performed by making a second pass through the edge map, but instead of laying points down in the accumulator array (as with the original Hough Transform), we compute the line integral over each sinusoid that corresponds to the current edge point. If a sinusoid passes through greater than or equal to 2 peaks, we deposit that sum/integral into a …

A Confidence Measure For Boundary Detection And Object Selection, William A. Barrett, Eric N. Mortensen

Faculty Publications

We introduce a confidence measure that estimates the assurance that a graph arc (or edge) corresponds to an object boundary in an image. A weighted, planar graph is imposed onto the watershed lines of a gradient magnitude image and the confidence measure is a function of the cost of fixed-length paths emanating from and extending to each end of a graph arc. The confidence measure is applied to automate the detection of object boundaries and thereby reduces (often greatly) the time and effort required for object boundary definition within a user-guided image segmentation environment.

Concentration Gradient, Diffusion, And Flow Through Open Porous Medium Near Percolation Threshold Via Computer Simulations, Ras B. Pandey, J.F. Gettrust, D. Stauffer

Faculty Publications

The interacting lattice gas model is used to simulate fluid flow through an open percolating porous medium with the fluid entering at the source-end and leaving from the opposite end. The shape of the steady-state concentration profile and therefore the gradient field depends on the porosity (p). The root mean square (rms) displacements of fluid and its constituents (tracers) show a drift power-law behavior, R∝t in the asymptotic regime (t→∞). The flux current density (j) is found to scale with the porosity according to, j∝(Δp)^β with Δp …

Ca4Iro6, Ca3Mgiro6 And Ca3Zniro6, Matthew J. Davis, Mark D. Smith, Hans Conrad Zur Loye

Faculty Publications

Single crystals of tetracalcium iridium hexaoxide, Ca₄IrO₆, tricalcium magnesium iridium hexaoxide, Ca₃MgIrO₆, and tricalcium zinc iridium hexaoxide, Ca₃ZnIrO₆, were prepared via high-temperature flux growth and structurally characterized by single-crystal X-ray diffraction. The three compounds are isostructural and adopt the K₄CdCl₆ structure type, comprised of chains of alternating face-shared [CaO₆], [MgO₆] or [ZnO₆] trigonal prisms and [IrO₆] octahedra, surrounded by columns of Ca²⁺ ions.

Formula: Ca₄IrO₆, Ca_3.34Mg_0.66IrO₆ and …

A Dipolar Coupling Based Strategy For Simultaneous Resonance Assignment And Structure Determination Of Protein Backbones, Fang Tian, Homayoun Valafar, James H. Prestegard

Faculty Publications

A new approach for simultaneous protein backbone resonance assignment and structure determination by NMR is introduced. This approach relies on recent advances in high-resolution NMR spectroscopy that allow observation of anisotropic interactions, such as dipolar couplings, from proteins partially aligned in field ordered media. Residual dipolar couplings are used for both geometric information and a filter in the assembly of residues in a sequential manner. Experimental data were collected in less than one week on a small redox protein, rubredoxin, that was 15N enriched but not enriched above 1% natural abundance in 13C. Given the acceleration possible with partial 13C …

Using Ssm Proxies To Provide Efficient Multiple-Source Multicast Delivery, Daniel Zappala, Aaron Fabbri

Faculty Publications

We consider the possibility that single-source multicast (SSM) will become a universal multicast service, enabling large-scale distribution of content from a few well-known sources to a general audience. Operating under this assumption, we explore the problem of building the traditional IP model of any-source multicast on top of SSM. Toward this end, we design an SSM proxy service that allows any sender to efficiently deliver content to a multicast group. We demonstrate the performance improvements this service offers over standard SSM and describe extensions for access control, dynamic proxy discovery, and multicast proxy distribution.

Modeling The Effects Of Transforming Growth Factor-Beta On Extracellular Matrix Alignment In Dermal Wound Repair, J. C. Dallon, J. A. Sherratt, P. K. Maini

Faculty Publications

We present a novel mathematical model for collagen deposition and alignment during dermal wound healing, focusing on the regulatory effects of TGF. Our work extends a previously developed model which considers the interactions between fibroblasts and extracellular matrix, composed of collagen and a fibrin based blood clot, by allowing fibroblasts to orient the collagen matrix, and produce and degrade the extracellular matrix, while the matrix can direct the fibroblasts and control their speed. Here we extend the model by allowing a time varying concentration of TGF to alter the properties of the fibroblasts. Thus we are able to simulate experiments …

Two Different One-Dimensional Structural Motifs In The Same Coordination Polymer: A Novel Interpenetration Of Infinite Ladders By Bundles Of Infinite Chains, Badruz Zaman, Mark D. Smith, Hans Conrad Zur Loye

Faculty Publications

A coordination polymer with a novel structural motif
consisting of stacks of infinite ladders interpenetrated by
bundles of infinite chains is described; geometrical arguments
are made for the requirements that can lead to such
interpenetration as a function of ligand dimensions.

Statistics And Supermetallicity: The Metallicity Of Mu Leonis, B. J. Taylor

Faculty Publications

For the often-studied "SMR" giant µ Leo, Smith & Ruck (2000) have recently found that [Fe/H] approximately + 0.3 dex. Their conclusion is tested here in a "statistical" paradigm, in which statistical principles are used to select published high-dispersion µ Leo data and assign error bars to them. When data from Smith & Ruck and from Takeda et al. (1998) are added to a data base compiled in 1999, it is found that conclusions from an earlier analysis (Taylor 1999c) are essentially unchanged: the mean value of [Fe/H] approximately + 0.23 ± 0.025 dex, and values ≤ + 0.2 dex …

Modeling Irda Performance: The Effect Of Irlap Negotiation Parameters On Throughput, Scott V. Hansen, Charles D. Knutson, Michael G. Robertson, Franklin E. Sorenson

Faculty Publications

The Infrared Data Association's (IrDA) infrared data transmission protocol is a widely used mechanism for short-range wireless data communications. In order to provide flexibility for connections between devices of potentially disparate capabilities, IrDA devices negotiate the values of several transmission parameters based on the capabilities of the devices establishing the connection. This paper describes the design and implementation of a software tool, Irdaperf, to model IrDA performance based on negotiated transmission parameters. Using Irdaperf, we demonstrate that for fast data rates, maximizing window size and data size are key factors for overcoming the negative effects of a relatively long link …

Chemical Bonding, Elasticity, And Valence Force Field Models: A Case Study For Α-Pt2si And Ptsi, Gus L. W. Hart, J. E. Klepeis, O. Beckstein, O. Pankratov

Faculty Publications

We have carried out a detailed study of the chemical bonding for two room-temperature stable platinum silicide phases, tetragonal α-Pt2Si. These elements of the bonding are further analyzed by constructing valence force field models using the results from recent first principles calculations of the six (nine) independent, nonzero elastic constants of α-Pt2Si (PtSi). The resulting volume-, radial-, and angular-dependent force constants provide insight into the relative strength of various bonding elements as well as the trends observed in the elastic constants themselves. The valence force field analysis yields quantitative information about the nature of the chemical bonding that is not …

Poynting's Theorem And Luminal Total Energy Transport In Passive Dielectric Media, Scott Glasgow, Michael Ware, Justin Peatross

Faculty Publications

Without approximation the energy density in Poynting's theorem for the generally dispersive and passive dielectric medium is demonstrated to be a system total dynamical energy density. Thus the density in Poynting's theorem is a conserved form that by virtue of its positive definiteness prescribes important qualitative and quantitative features of the medium-field dynamics by rendering the system dynamically closed. This fully three-dimensional result, applicable to anisotropic and inhomogeneous media, is model independent, relying solely on the complex-analytic consequences of causality and passivity. As direct applications of this result, we show 1 that a causal medium responds to a virtual, instantaneous …

Three-Jet Production In Diffractive Deep Inelastic Scattering At Hera, S. Chekanov, M. Derrick, D. Krakauer, S. Magill, B. Musgrave, A. Pellegrino, J. Repond, R. Yoshida, Margarita C. K. Mattingly, P. Antonioli, G. Bari, M. Basile, L. Bellagamba, D. Boscherini, A. Bruni, G. Bruni, G. Cara Romeo, L. Cifarelli, F. Cindolo, A. Contin, M. Corradi, S. De Pasquale, P. Giusti, G. Iacobucci, G. Levi, A. Margotti, T. Massam, R. Nania, F. Palmonari, A. Pesci, G. Sartorelli

Faculty Publications

Three-jet production in the reaction ep → eXp has been studied with the ZEUS detector at HERA using an integrated luminosity of 42.74 pb-1.The data were measured in the kinematic region 5 < Q2 < 100 GeV2, 200 < W < 250 GeV and 23 < MX < 40 GeV. The diffractive signal was selected by requiring a large rapidity gap in the outgoing proton direction. Jets were reconstructed in the centre-of-mass system of X using the exclusive kT-algorithm. A sample of three-jet events in diffraction has been identified. Differential cross sections were measured as a function of the jet pseudorapidity and jet transverse momentum with respect to the virtual photon-pomeron axis. The jets going in the pomeron direction are broader than those going in the virtual-photon direction. This is consistent with models predicting that gluons are predominantly produced in the pomeron direction and quarks in the virtual-photon direction. © 2001 Elsevier Science B.V. All rights reserved.

Validation Of Land Surface Models Using Satellite-Derived Surface Temperature, Joshua Rhoads, Ralph Dubayah, Dennis Lettenmaier, Greg O'Donnell, Venkataraman Lakshmi

Faculty Publications

This research examines the feasibility of using remotely sensed surface temperature for validation and updating of land surface hydrologic models. Surface temperature simulated by the Variable Infiltration Capacity (VIC) hydrologie model is compared over the Arkansas-Red River basin with surface temperature retrievals from TOVS and GOES. The results show that modeled and satellite-derived surface temperatures agree well when aggregated in space or time. In particular, monthly mean temperatures agree on the pixel scale, and basin mean temperatures agree instantaneously. At the pixel scale, however, surface temperatures from both satellites were found to have higher spatial and temporal variabilities than the …

Dirt Road Corrugations, Temple H. Fay, Keith A. Hardie, Stephan V. Joubert

Faculty Publications

WE CONSIDER FACTORS INFLUENCING the build-up of corrugations on dirt roads and the reactions of vehicles to them. We suggest that corrugations are (at least in part) a consequence of a natural tangential oscillation of the tread surface of the car lure that occurs when the vehicle is being driven or braked. Secondly, we suggest that the unpleasant vibration experienced by a vehicle passing over a corrugated road is the result of a beat produced by the difference of the frequency of oscillation of its own tyres and the frequency of the stimulation received by the vehicle due to passage …

Improving Cluster Utilization Through Set Based Allocation Policies, Quinn O. Snell, Julio C. Facelli, Brian D. Haymore, David B. Jackson

Faculty Publications

While clusters have already proven themselves in the world of high performance computing, some clusters are beginning to exhibit resource inefficiencies due to increasing hardware diversity. Much of the success of clusters lies in the use of commodity components built to meet various hardware standards. These standards have allowed a great level of hardware backwards compatibility that is now resulting in a condition referred to as hardware 'drift' or heterogeneity. The hardware heterogeneity introduces problems when diverse compute nodes are allocated to a parallel job, as most parallel jobs are not self-balancing. This paper presents a new method that allows …

Crystal Growth, Structure Determination And Magnetism Of A New Hexagonal Rhodate: Ba9rh8o24, Katharine E. Stitzer, M. D. Smith, J. Darriet, Hans Conrad Zur Loye

Faculty Publications

Single crystals of Ba9Rh8O24, grown from a molten potassium carbonate flux, crystallize in the spacegroup R¯3c with lattice parameters of a = 10.0899(4) and c = 41.462(2) Å. Magnetic measurements on oriented single crystals reveal the existence of magnetic anisotropy

Statistics And Supermetallicity: The Metallicity Of Ngc 6791, B. J. Taylor

Faculty Publications

For the old galactic cluster NGC 6791, Peterson & Green (1998a) and Chaboyer et al. (1999) have found that [Fe/H] approximately + 0.4 dex. A second look at that conclusion is taken in this paper. Zero-point problems are reviewed for a high-dispersion analysis done by Peterson & Green, and it is found that accidental errors have not been determined rigorously for the results of that analysis. It is also noted that in a color-magnitude analysis performed by Chaboyer et al., the important metallicity range between 0.0 and + 0.3 dex is not explored and hence is not ruled out. Moreover, …

Livelock Avoidance For Meta-Schedulers, Mark J. Clement, John Jardine, Quinn O. Snell

Faculty Publications

Meta-scheduling, a process which allows a user to schedule a job across multiple sites, has a potential for livelock. Current systems avoid livelock by locking down resources at multiple sites and allowing a metascheduler to control the resources during the lock down period or by limiting job size to that which will fit on one site. The former approach leads to poor utilization; the later poses limitations on job size. This research uses BYU's Meta-scheduler (YMS) which allows jobs to be scheduled across multiple sites without the need for locking down the nodes. YMS avoids livelock through exponential back-off This …

Comment On "Observation Of Superluminal Behaviors In Wave Propagation", Harry Ringermacher, Lawrence R. Mead

Faculty Publications

No abstract provided.

Improved Hopfield Networks By Training With Noisy Data, Fred Clift, Tony R. Martinez

Faculty Publications

A new approach to training a generalized Hopfield network is developed and evaluated in this work. Both the weight symmetricity constraint and the zero self-connection constraint are removed from standard Hopfield networks. Training is accomplished with Back-Propagation Through Time, using noisy versions of the memorized patterns. Training in this way is referred to as Noisy Associative Training (NAT). Performance of NAT is evaluated on both random and correlated data. NAT has been tested on several data sets, with a large number of training runs for each experiment. The data sets used include uniformly distributed random data and several data sets …

Lazy Training: Improving Backpropagation Learning Through Network Interaction, Timothy L. Andersen, Tony R. Martinez, Michael E. Rimer

Faculty Publications

Backpropagation, similar to most high-order learning algorithms, is prone to overfitting. We address this issue by introducing interactive training (IT), a logical extension to backpropagation training that employs interaction among multiple networks. This method is based on the theory that centralized control is more effective for learning in deep problem spaces in a multi-agent paradigm. IT methods allow networks to work together to form more complex systems while not restraining their individual ability to specialize. Lazy training, an implementation of IT that minimizes misclassification error, is presented. Lazy training discourages overfitting and is conducive to higher accuracy in multiclass problems …

Optimal Artificial Neural Network Architecture Selection For Bagging, Timothy L. Andersen, Tony R. Martinez, Michael E. Rimer

Faculty Publications

This paper studies the performance of standard architecture selection strategies, such as cost/performance and CV based strategies, for voting methods such as bagging. It is shown that standard architecture selection strategies are not optimal for voting methods and tend to underestimate the complexity of the optimal network architecture, since they only examine the performance of the network on an individual basis and do not consider the correlation between responses from multiple networks.

Improving The Hopfield Network Through Beam Search, Tony R. Martinez, Xinchuan Zeng

Faculty Publications

In this paper we propose a beam search mechanism to improve the performance of the Hopfield network for solving optimization problems. The beam search readjusts the top M (M > 1) activated neurons to more similar activation levels in the early phase of relaxation, so that the network has the opportunity to explore more alternative, potentially better solutions. We evaluated this approach using a large number of simulations (20,000 for each parameter setting), based on 200 randomly generated city distributions of the 10-city traveling salesman problem. The results show that the beam search has the capability of significantly improving the network …