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At least 271 records · Page 15

A Sheaf Theoretical Approach to Uncertainty Quantification of Heterogeneous Geolocation Information

Integration of multiple, heterogeneous sensors is a challenging problem across a range of applications. Prominent among these are multi-target tracking, where one must combine observations from different sensor types in a meaningful and efficient way to track multiple targets. Because different sensors have differing error models, we seek a theoretically justified quantification of the agreement among ensembles of sensors, both overall for a sensor collection, and also at a fine-grained level specifying pairwise and multi-way interactions among sensors. We demonstrate that the theory of mathematical sheaves provides a unified answer to this need, supporting both quantitative and qualitative data. Furthermore, the theory provides algorithms to globalize data across the network of deployed sensors, and to diagnose issues when the data do not globalize cleanly. We demonstrate and illustrate the utility of sheaf-based tracking models based on experimental data of a wild population of black bears in Asheville, North Carolina. A measurement model involving four sensors deployed among the bears and the team of scientists charged with tracking their location is deployed. This provides a sheaf-based integration model which is small enough to fully interpret, but of sufficient complexity to demonstrate the sheaf’s ability to recover a holistic picture of the locations and behaviors of both individual bears and the bear-human tracking system. A statistical approach was developed in parallel for comparison, a dynamic linear model which was estimated using a Kalman filter. This approach also recovered bear and human locations and sensor accuracies. When the observations are normalized into a common coordinate system, the structure of the dynamic linear observation model recapitulates the structure of the sheaf model, demonstrating the canonicity of the sheaf-based approach. However, when the observations are not so normalized, the sheaf model still remains valid.

97 MATHEMATICS AND COMPUTING↗

Some aspects of control of a large-scale dynamic system

Techniques of predicting and/or controlling the dynamic behavior of large scale systems are discussed in terms of decentralized decision making. Topics discussed include: (1) control of large scale systems by dynamic team with delayed information sharing; (2) dynamic resource allocation problems by a team (hierarchical structure with a coordinator); and (3) some problems related to the construction of a model of reduced dimension.

Aoki, M.↗

Fully unsteady subsonic and supersonic potential aerodynamics for complex aircraft configurations for flutter applications

A general theory for study, oscillatory or fully unsteady potential compressible aerodynamics around complex configurations is presented. Using the finite-element method to discretize the space problem, one obtains a set of differential-delay equations in time relating the potential to its normal derivative which is expressed in terms of the generalized coordinates of the structure. For oscillatory flow, the motion consists of sinusoidal oscillations around a steady, subsonic or supersonic flow. For fully unsteady flow, the motion is assumed to consist of constant subsonic or supersonic speed for time t or = 0 and of small perturbations around the steady state for time t 0.

Tseng, K.↗

Alternating direction adaptive grid generation

The present investigation is concerned with the development of an alternating direction method which can adaptively resolve numerical solutions involving physical problems by moving the points of a coordinate grid. The alternating direction movement algorithm is applied to adapt a grid to surface data and weights which are given with respect to the grid itself. Attention is given to details concerning the alternating direction method, aspects of algorithmic construction, the choice of weights which controls the coordinate movement and structure, and questions regarding the applications of the alternating direction movement algorithm. On an analytical basis, the method is seen to move points in a nonsingular fashion.

Eiseman, P. R.↗

SHAPES - Spatial, high-accuracy, position-encoding sensor

Future space systems will require control sensors capable of real-time measurements of position coordinates of many structural locations. Applications for such a sensor include figure and vibration control, rendezvous and docking, and structure assembly verification. The paper discusses an experimental study of SHAPES (spatial, high-accuracy, position-encoding sensor), a 3D position sensor that provides range and two angular positions of laser-illuminated retroreflector targets that mark the locations to be measured. Simultaneous range measurements to multiple targets by a time-of-flight corelation of short laser pulses are made with a CCD-equipped streak tube. Angular positions are measured with a CCD camera. Position measurements of 24 targets with sub-millimeter range accuracy at a 10 Hz update rate have been demonstrated.

Nerheim, Noble M.↗

An implementation of a tree code on a SIMD, parallel computer

We describe a fast tree algorithm for gravitational N-body simulation on SIMD parallel computers. The tree construction uses fast, parallel sorts. The sorted lists are recursively divided along their x, y and z coordinates. This data structure is a completely balanced tree (i.e., each particle is paired with exactly one other particle) and maintains good spatial locality. An implementation of this tree-building algorithm on a 16k processor Maspar MP-1 performs well and constitutes only a small fraction (approximately 15%) of the entire cycle of finding the accelerations. Each node in the tree is treated as a monopole. The tree search and the summation of accelerations also perform well. During the tree search, node data that is needed from another processor is simply fetched. Roughly 55% of the tree search time is spent in communications between processors. We apply the code to two problems of astrophysical interest. The first is a simulation of the close passage of two gravitationally, interacting, disk galaxies using 65,636 particles. We also simulate the formation of structure in an expanding, model universe using 1,048,576 particles. Our code attains speeds comparable to one head of a Cray Y-MP, so single instruction, multiple data (SIMD) type computers can be used for these simulations. The cost/performance ratio for SIMD machines like the Maspar MP-1 make them an extremely attractive alternative to either vector processors or large multiple instruction, multiple data (MIMD) type parallel computers. With further optimizations (e.g., more careful load balancing), speeds in excess of today's vector processing computers should be possible.

Olson, Kevin M.↗

Developing a MATLAB(registered)-Based Tool for Visualization and Transformation

An important step in the structural design and development of spacecraft is the experimental identification of a structure s modal characteristics, such as its natural frequencies and modes of vibration. These characteristics are vital to developing a representative model of any given structure or analyzing the range of input frequencies that can be handled by a particular structure. When setting up such a representative model of a structure, careful measurements using precision equipment (such as accelerometers and instrumented hammers) must be made on many individual points of the structure in question. The coordinate location of each data point is used to construct a wireframe geometric model of the structure. Response measurements obtained from the accelerometers is used to generate the modal shapes of the particular structure. Graphically, this is displayed as a combination of the ways a structure will ideally respond to a specified force input. Two types of models of the tested structure are often used in modal analysis: an analytic model showing expected behavior of the structure, and an experimental model showing measured results due to observed phenomena. To evaluate the results from the experimental model, a comparison of analytic and experimental results must be made between the two models. However, comparisons between these two models become difficult when the two coordinate orientations differ in a manner such that results are displayed in an unclear fashion. Such a problem proposes the need for a tool that not only communicates a graphical image of a structure s wireframe geometry based on various measurement locations (called nodes), but also allows for a type of transformation of the image s coordinate geometry so that a model s coordinate orientation is made to match the orientation of another model. Such a tool should also be designed so that it is able to construct coordinate geometry based on many different listings of node locations and is able to transform the wireframe coordinate orientation to match almost any possible orientation (i.e. it should not be a problem specific application) if it is to be of much value in modal analysis. Also, since universal files are used to store modal parameters and wireframe geometry, the tool must be able to read and extract information from universal files and use these files to exchange model data.The purpose of this project is to develop such a tool as a computer graphical user interface (GUI) capable of performing the following tasks: 1) Browsing for a particular universal file within the computer directory and displaying the name of this file to the screen; 2) Plotting each of the nodes within the universal file in a useful, descriptive, and easily understood figure; 3) Reading the node numbers from the selected file and listing these node numbers to the user for selection in an easily accessible format; 4) Allowing for user selection of a new model orientation defined by three selected nodes; and 5) Allowing the user to specify a directory to which the transformed model s node locations will be saved, and saving the transformed node locations to the specified file.

Anderton, Blake J.↗

Strain-Induced asymmetry and on-site dynamics of silicon defects in graphene

In the last decade, the atomically-focused electron beams utilized in scanning transmission electron microscopes (STEMs) have been shown to induce a broad set of local structural transformations in materials, opening pathways for directing material synthesis and modification atom-by-atom. The mechanisms underlying these transformations remain largely unknown, due to the intractability of modeling the myriad of reaction pathways that can be accessed through high-energy electron scattering. The information on materials’ structure and dynamics that can be extracted from STEM images is similarly left underexplored. Here, we report the observation of anomalous on-site dynamics of individual silicon impurity atoms in graphene during STEM imaging. Density functional theory-based structural optimizations of anisotropically-strained molecular nanographenes reveal two distinct (but nearly degenerate) stable structures for four-fold coordinated silicon impurities, where interconversion between the two structures manifests slight changes of the silicon position within the lattice site. Implications for defect-based strain engineering in graphene are discussed.

36 MATERIALS SCIENCE↗

Multidisciplinary optimization of a controlled space structure using 150 design variables

A controls-structures interaction design method is presented. The method coordinates standard finite-element structural analysis, multivariable controls, and nonlinear programming codes and allows simultaneous optimization of the structure and control system of a spacecraft. Global sensitivity equations are used to account for coupling between the disciplines. Use of global sensitivity equations helps solve optimization problems that have a large number of design variables and a high degree of coupling between disciplines. The preliminary design of a generic geostationary platform is used to demonstrate the multidisciplinary optimization method. Design problems using 15, 63, and 150 design variables to optimize truss member sizes and feedback gain values are solved and the results are presented. The goal is to reduce the total mass of the structure and the vibration control system while satisfying constraints on vibration decay rate. Incorporation of the nonnegligible mass of actuators causes an essential coupling between structural design variables and control design variables.

James, Benjamin B.↗

Ionic Contraction across the Lanthanide Series Decreases the Temperature-Induced Disorder of the Water Coordination Sphere

In liquid, temperature affects the structures of lanthanide complexes in multiple ways that depend upon complex interactions between ligands, anions, and solvent molecules. The relative simplicity of lanthanide aqua ions (Ln 3+ ) make them well suited to determine how temperature induces structural changes in lanthanide complexes. In this work, we performed a combination of ab initio molecular dynamics (AIMD) simulations and extended X-ray absorption fine structure (EXAFS) measurements, both at 25 and 90 °C, to determine how temperature affects the first- and second-coordination spheres of three Ln 3+ (Ce 3+ , Sm 3+ , and Lu 3+ ) aqua ions. AIMD simulations show first lanthanide coordination spheres that are similar at 25 and 90 °C, more so for the Lu 3+ ion that remains as eight-coordinate than for the Ce 3+ and Sm 3+ ions that change their preferred coordination number from nine (at 25 °C) to eight (at 90 °C). The measured EXAFS spectra are very similar at 25 and 90 °C, for the Ce 3+ , Sm 3+ , and Lu 3+ ions, suggesting that the dynamical disorder of the Ln 3+ ions in liquid water is sufficient such that temperature-induced changes do not clearly manifest changes in the structure of the three ions. Both AIMD simulations and EXAFS measurements show very similar structures of the first coordination sphere of the Lu 3+ ion at 25 and 90 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of Superparamagnetic Iron Nanoparticles on Electrocatalysts for the Reduction of Oxygen

It is of great research interest to understand the nanostructures contributing to the activity observed in the reduction of oxygen by non-platinum group metal (PGM) electrocatalysts in acidic media. Iron- and nitrogen-containing carbon networks are often the most studied structures, among which single-atom iron-coordinated nitrogen (FeNx) moieties have often been proposed to be the structures leading to the high activity in these non-PGM electrocatalysts. Iron nanoparticles embedded within a carbon support are also formed under certain conditions as a result of the synthetic processes in making non-PGM electrocatalysts. In this study, we present a study to understand the oxygen reduction reaction (ORR) activity of prepared iron- and nitrogen-containing non-PGM electrocatalysts obtained through the pyrolysis of metal–organic framework (MOF) precursors. We studied the structure–property relationship among nanostructures made from the MOF precursor ZIF-8 under different pyrolysis conditions. Density functional theory calculations were used to explain the effect of structural moieties on the ORR activity. Our results suggest that iron-coordinated C–N structures and iron nanoparticles act synergistically to catalyze the ORR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discrete Kalman filtering equations of second-order form for control-structure interaction simulations

A second-order form of discrete Kalman filtering equations is proposed as a candidate state estimator for efficient simulations of control-structure interactions in coupled physical coordinate configurations as opposed to decoupled modal coordinates. The resulting matrix equation of the present state estimator consists of the same symmetric, sparse N x N coupled matrices of the governing structural dynamics equations as opposed to unsymmetric 2N x 2N state space-based estimators. Thus, in addition to substantial computational efficiency improvement, the present estimator can be applied to control-structure design optimization for which the physical coordinates associated with the mass, damping and stiffness matrices of the structure are needed instead of modal coordinates.

Park, K. C.↗

On the Effects of Aliovalent Substitutions in Thermoelectric Zintl Pnictides. Varied Polyanionic Dimensionality and Complex Structural Transformations–The Case of Sr 3 ZnP 3 vs Sr 3 Al x Zn 1– x P 3

The structures and the transport properties of a novel family of Zintl phosphides and arsenides with the formula AE 3 ZnPn 3 and the solid solutions AE 3 Al x Zn 1–x Pn 3 , AE 3 ZnAs y P 1–y (AE = Sr, Eu; Pn = P, As) are reported. Crystals of nine new phases have been obtained via Pb-flux reactions and used for structural work by means of single-crystal X-ray diffraction methods. The derived orthorhombic structure is without a direct analog, and features unusual structural units, where the Zn atoms are in both distorted tetrahedral and trigonal-planar coordination of pnictogens. Electronic structure calculations reveal moderately wide bandgaps for Sr 3 ZnP 3 and Sr 3 ZnAs 3 , on the order of 0.70 and 0.63 eV, respectively. Electrical transport measurements above room temperature indicate relatively high resistivity values above 500 K (ρ ≈ 4.8 Ω cm and above), but some of the samples exhibit very high Seebeck coefficients, as large as 300 μV/K at 560 K for Sr 3 ZnAs 3 . Aliovalent substitutions in AE 3 ZnPn 3 , achieved by the partial replacement of Zn 2+ with Al 3+ cations promote occupational and positional disorder, which causes structural transformation towards the disordered variant of the Sr 5 Al 2 Sb 6 structure type. Such substitutions also change the dimensionality of the polyanionic sub-lattice in the resulting quaternary AE 3 Al x Zn 1–x Pn 3 phases. Furthermore, preliminary transport property data on the latter reveal nine times lower electrical resistivity (ρ 500 ≈ 0.5 Ω cm) together with a significantly enhanced Seebeck coefficient, αmax ≈ 430 μV/K at 560 K.

36 MATERIALS SCIENCE↗

Spatial, High-Accuracy, Positioning-Encoding Sensor (SHAPES) for large space system control applications

The Spatial, High-Accuracy, Position-Encoding Sensor is a controls sensor suitable for the determination of the static shape and vibrational motion of large space structures and similar systems and for the determination of position and velocity in rendezvous and docking. It uses a combination of electro-optical techniques to measure the three-dimensional coordinates distributed over the structure at reading rates high compared to the rates at which the coordinates are changing. The technical approach is that of measuring the distance to and the direction of points on the structure from a single sensor head. Many points can be measured simultaneously from a single head without significantly increasing the complexity of the system.

Mclauchlan, J. M.↗

Structures of five salt forms of disulfonated monoazo dyes

The structures of five s -block metal salt forms of three disulfonated monoazo dyes are presented. These are poly[di-μ-aqua-diaqua[μ 4 -3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)]disodium(I)], [Na 2 (C 12 H 8 N 2 O 6 S 2 )(H 2 O) 4 ] n , (I), catena -poly[[tetraaquacalcium(II)]-μ-3,3'-(diazane-1,2-diyl)bis(benzenesulfonato)], [Ca(C 12 H 8 N 2 O 6 S 2 )(H 2 O) 4 ] n , (II), catena -poly[[[diaquacalcium(II)]-μ-2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium] dihydrate], {[Na(C 12 H 10 N 3 O 6 S 2 )(H 2 O) 2 ]·2H 2 O} n , (III), hexaaquamagnesium bis[2-(4-amino-3-sulfonatophenyl)-1-(4-sulfonatophenyl)diazenium] octahydrate, [Mg(H 2 O) 6 ](C 12 H 10 N 3 O 6 S 2 ) 2 ·8H 2 O, (IV), and poly[[{μ 2 -4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate], {[Ba(C 14 H 13 N 3 O 7 S 2 )(H 2 O) 4 ]·2H 2 O} n , (V). Compound (III) is that obtained on crystallizing the commercial dyestuff Acid Yellow 9 [74543-21-8]. The Mg species is a solvent-separated ion-pair structure and the others are all coordination polymers with bonds from the metal atoms to sulfonate groups. Compound (I) is a three-dimensional coordination polymer, (V) is a two-dimensional coordination polymer and both (II) and (III) are one-dimensional coordination polymers. The coordination behaviour of the azo ligands and the water ligands, the dimensionality of the coordination polymers and the overall packing motifs of these five structures are contrasted to those of monosulfonate monoazo congers. It is found that (I) and (II) adopt similar structural types to those of monosulfonate species but that the other three structures do not.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗