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At least 199 records · Page 11

Advanced Millimeter-Wave Security Portal Imaging Techniques

Millimeter-wave imaging is rapidly gaining acceptance for passenger screening at airports and other secured facilities. This paper details a number of techniques developed over the last several years including novel image reconstruction and display techniques, polarimetric imaging techniques, array switching schemes, as well as high frequency high bandwidth techniques. Implementation of some of these methods will increase the cost and complexity of the mm-wave security portal imaging systems. RF photonic methods may provide new solutions to the design and development of the sequentially switched linear mm-wave arrays that are the key element in the mm-wave portal imaging systems.

99 GENERAL AND MISCELLANEOUS↗

Advanced Millimeter-Wave Imaging Enhances Security Screening

Millimeter-wave imaging is rapidly gaining acceptance for passenger screening at airports and other secured facilities. This paper details a number of techniques developed over the last several years including novel image reconstruction and display techniques, polarimetric imaging techniques, array switching schemes, as well as high frequency high bandwidth techniques. Implementation of some of these methods will increase the cost and complexity of the mm-wave security portal imaging systems. RF photonic methods may provide new solutions to the design and development of the sequentially switched linear mm-wave arrays that are the key element in the mm-wave portal imaging systems.

Imaging↗

Prediction and control of slender-wing rock

The unsteady Euler equations and the Euler equations of rigid-body dynamics, both written in the moving frame of reference, are sequentially solved to simulate the limit-cycle rock motion of slender delta wings. The governing equations of the fluid flow and the dynamics of the present multidisciplinary problem are solved using an implicit, approximately-factored, central-difference-like, finite-volume scheme and a four-stage Runge-Kutta scheme, respectively. For the control of wing-rock motion, leading-edge flaps are forced to oscillate anti-symmetrically at prescribed frequency and amplitude, which are tuned in order to suppress the rock motion. Since the computational grid deforms due to the leading-edge flaps motion, the grid is dynamically deformed using the Navier-displacement equations. Computational applications cover locally-conical and three-dimensional solutions for the wing-rock simulation and its control.

Kandil, Osama A.↗

Optimization-based mesh correction with volume and convexity constraints

Here, we consider the problem of finding a mesh such that 1) it is the closest, with respect to a suitable metric, to a given source mesh having the same connectivity, and 2) the volumes of its cells match a set of prescribed positive values that are not necessarily equal to the cell volumes in the source mesh. Also, this volume correction problem arises in important simulation contexts, such as satisfying a discrete geometric conservation law and solving transport equations by incremental remapping or similar semi-Lagrangian transport schemes. In this paper we formulate volume correction as a constrained optimization problem in which the distance to the source mesh defines an optimization objective, while the prescribed cell volumes, mesh validity and/or cell convexity specify the constraints. We solve this problem numerically using a sequential quadratic programming (SQP) method whose performance scales with the mesh size. To achieve scalable performance we develop a specialized multigrid-based preconditioner for optimality systems that arise in the application of the SQP method to the volume correction problem. Numerical examples illustrate the importance of volume correction, and showcase the accuracy, robustness and scalability of our approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Desorption and Co–Dissolution of Uranium–Bearing Solids During Alkalinity–Enhanced Flushing of Contaminated Sediments

Elevated uranium concentrations in groundwater remain a persistent challenge at contaminated sites. Several sites rely on natural flushing of uranium as a remediation strategy. Uncertainties in conceptual models can cause remediation strategies to underestimate timeframes required to reach remediation goals. In this study, laboratory experiments were conducted to investigate uranium flushing of sediments from a site with persistent groundwater contamination. Six columns were used to simulate alkalinity-enhanced flushing of uranium from sediments, by switching influent alkalinity after ~12 pore volumes. About 20% to 31% of sediment uranium was consistently flushed from the sediments. K d values varied greatly (5.3 to 117 L/kg) but were consistently lower (20% to 50%) during influents with elevated alkalinity. The mass of uranium recovered from the columns also was consistently higher (5% to 80%) during alkalinity-enhanced flushing periods. However, column experiments with sequentially increasing alkalinity showed diminishing returns in uranium elution at higher carbonate concentrations. The loss of flushing efficiency is attributed to significant calcite precipitation at higher alkalinities. Furthermore, the results show that alkalinity-enhanced flushing of uranium could be employed as a viable remediation scheme if calcite precipitation could be minimized in a field application.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Implicit Preconditioning for Explicit Multigrid Solvers on Cut-Cell Cartesian Meshes

This work assesses the effectiveness of linearized implicit Euler preconditioning for multigrid solvers using an unpreconditioned, Jacobian-free Newton Krylov method to converge the linear system of equations. Multigrid convergence rates improve to approximately 0.75 across the cases tested including a Mach 2 supersonic wedge, transonic NACA 0012 airfoil, and ONERA M6 wing. While larger Krylov subspaces increase the convergence rate, they also increase the computational cost, such that 4-8 Krylov vectors often offers the fastest turnaround. Further reductions in computational cost are achieved with a sequential hybrid preconditioner that begins with the explicit multigrid solver before transitioning to the preconditioned algorithm later on. In addition, a novel implementation of dual time stepping is extended to include both common BDF methods as well as high-order implicit Runge-Kutta schemes. This particular formulation, which uses A −1 preconditioning, is amenable to matrix-free solvers, and the L-stable methods are especially suited for meshes with arbitrarily small cut-cells. Asymptotic order of convergence is demonstrated for BDF1, BDF2, SDIRK2, and 3rd-order Radau IIA time integration with unsteady 2D vortex simulations.

ARMD↗

Acquisition of STEM Images by Adaptive Compressive Sensing

Compressive Sensing (CS) allows a signal to be sparsely measured first and accurately recovered later in software [1]. In scanning transmission electron microscopy (STEM), it is possible to compress an image spatially by reducing the number of measured pixels, which decreases electron dose and increases sensing speed [2,3,4]. The two requirements for CS to work are: (1) sparsity of basis coefficients and (2) incoherence of the sensing system and the representation system. However, when pixels are missing from the image, it is difficult to have an incoherent sensing matrix. Nevertheless, dictionary learning techniques such as Beta-Process Factor Analysis (BPFA) [5] are able to simultaneously discover a basis and the sparse coefficients in the case of missing pixels. On top of CS, we would like to apply active learning [6,7] to further reduce the proportion of pixels being measured, while maintaining image reconstruction quality. Suppose we initially sample 10% of random pixels. We wish to select the next 1% of pixels that are most useful in recovering the image. Now, we have 11% of pixels, and we want to decide the next 1% of “most informative” pixels. Active learning methods are online and sequential in nature. Our goal is to adaptively discover the best sensing mask during acquisition using feedback about the structures in the image. In the end, we hope to recover a high quality reconstruction with a dose reduction relative to the non-adaptive (random) sensing scheme. In doing this, we try three metrics applied to the partial reconstructions for selecting the new set of pixels: (1) variance, (2) Kullback-Leibler (KL) divergence using a Radial Basis Function (RBF) kernel, and (3) entropy. Figs. 1 and 2 display the comparison of Peak Signal-to-Noise (PSNR) using these three different active learning methods at different percentages of sampled pixels. At 20% level, all the three active learning methods underperform the original CS without active learning. However, they all beat the original CS as more of the “most informative” pixels are sampled. One can also argue that CS equipped with active learning requires less sampled pixels to achieve the same value of PSNR than CS with pixels randomly sampled, since all the three PSNR curves with active learning grow at a faster pace than that without active learning. For this particular STEM image, by observing the reconstructed images and the sensing masks, we find that while the method based on RBF kernel acquires samples more uniformly, the one on entropy samples more areas of significant change, thus less uniformly. The KL-divergence method performs the best in terms of reconstruction error (PSNR) for this example [8].

Xie, Weiyi↗

Highly scalable distributed-memory sparse triangular solution algorithms.

This paper presents a highly efficient distributed-memory parallel sparse triangular solver. The triangular solution phase is often performed following factorization phase in the sparse linear solvers and has become increasingly computa­tionally expensive for direct solvers with many right hand sides (RHSs) or preconditioned iterative solvers. However, the low arithmetic intensity and sequential nature of the triangular solve algorithm pose performance challenges for its large-scale distributed-memory parallelization. In this work, we propose several strategies to enhance scalability of an algorithm with 2D block cyclic process layout. First, an asynchronous binary-tree-based communication scheme implemented via non-blocking MPI functions is leveraged to broadcast partial solutions and reduce partial updates among a subset of processes for each block column and row of the triangular matrix, respectively. This scheme reduces message latency, improves communication load balance and significantly accelerates asynchronous execution of the triangular solve. In addition, efficient BLAS operations and threading implementations are exploited to accelerate local computations and further reduce process idle time. The proposed strategies are implemented in SuperLU_DIST and numerical experiments show up to 4.4x improvement with one right-hand side and up to 6.1x improvement with 50 right- hand sides on 4096 processes, compared to the current release. This is the first time that sparse triangular solution is demonstrated strong scaling on more than 4000 cores.

Liu, Yang↗

X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule

Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3 I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up to 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Asynchronous multilevel adaptive methods for solving partial differential equations on multiprocessors - Performance results

The fast adaptive composite grid method (FAC) is an algorithm that uses various levels of uniform grids (global and local) to provide adaptive resolution and fast solution of PDEs. Like all such methods, it offers parallelism by using possibly many disconnected patches per level, but is hindered by the need to handle these levels sequentially. The finest levels must therefore wait for processing to be essentially completed on all the coarser ones. A recently developed asynchronous version of FAC, called AFAC, completely eliminates this bottleneck to parallelism. This paper describes timing results for AFAC, coupled with a simple load balancing scheme, applied to the solution of elliptic PDEs on an Intel iPSC hypercube. These tests include performance of certain processes necessary in adaptive methods, including moving grids and changing refinement. A companion paper reports on numerical and analytical results for estimating convergence factors of AFAC applied to very large scale examples.

Mccormick, S.↗

Systolic array processing of the Viterbi algorithm

Results on efficient forms of decoding convolutional codes based on the Viterbi algorithm by using systolic arrays are presented. Various properties of convolutional codes are discussed. A technique called strongly connected trellis decoding is introduced to increase the efficient utilization of all the systolic array processors. Issues dealing with the composite branch metric generation, survivor updating, overall system architecture, throughput rate, and computational overhead ratio also investigated. The scheme is applicable to both hard and soft decoding of any rate b/n convolutional code. It is shown that as the length of the code becomes large, the systolic Viterbi decoder maintains a regular and general interconnection structure as well as moderate throughput rate gain over the sequential Viterbi decoder.

Chang, Chi-Yung↗

Multi-stage design of an optimal momentum management controller for the Space Station

This paper presents a multistage design scheme for determining an optimal control-moment-gyro momentum-management and attitude-control system for the Space Station Freedom. The Space Station equations of motion are linearized and block-decomposed into two block-decoupled subsystems using the matrix-sign algorithm. A sequential procedure is utilized for designing a linear-quadratic regulator for each subsystem, which optimally places the eigenvalues of the closed-loop subsystem in the region of an open sector, bounded by lines inclined at + or - pi/2k (for k = 2 or 3) from the negative real axis, and the left-hand side of a line parallel to the imaginary axis in the s-plane. Simulation results are presented to compare the resultant designs.

Sunkel, J. W.↗

Proton-Coupled Electron Transfer in Molecular Electrocatalysis: Theoretical Methods and Design Principles

Molecular electrocatalysts play an essential role in a wide range of energy conversion processes. The objective of electrocatalyst design is to maximize the turnover frequency and minimize the overpotential for the overall catalytic cycle. Typically the catalytic cycle is dominated by key proton-coupled electron transfer (PCET) processes comprised of sequential or concerted electron transfer and proton transfer steps. A variety of theoretical methods have been developed to investigate the mechanisms, thermodynamics, and kinetics of PCET processes in electrocatalytic cycles. Electronic structure methods can be used to calculate the reduction potentials and pKa’s and to generate thermodynamic schemes, free energy reaction pathways, and Pourbaix diagrams, which indicate the most stable species at each pH and potential. These types of calculations have assisted in identifying the thermodynamically favorable mechanisms under specified experimental conditions, such as acid strength and overpotential. Such calculations have also revealed linear correlations among the thermodynamic properties, which can be used to predict the impact of modifying the ligand, substituents, or metal center. The role of non-innocent ligands, namely ligand protonation or reduction, has also been examined theoretically. In addition, the rate constants for electron and proton transfer reactions, as well as concerted PCET reactions, have been calculated to investigate the kinetics of molecular electrocatalysts. The concerted PCET mechanism is thought to lower the overpotential required for catalysis by avoiding high-energy intermediates. Rate constant calculations have revealed that the concerted mechanism involving intramolecular proton transfer will be favored by designing more flexible ligands that facilitate the proton donor-acceptor motion while also maintaining a sufficiently short equilibrium proton donor-acceptor distance. Overall, theoretical methods have assisted in the interpretation of experimental data and the design of more effective molecular electrocatalysts. The research on the Ni(P2N2)2 catalysts was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

Solis, Brian H.↗

Modelling the mechanisms of quantum logic using the method of superimposed Fourier holograms based on the nonlinearity of the exposure characteristics of holographic recording media

A Fourier-holography scheme with superimposed holograms and phase conjugation is considered. It is shown that the sub-holograms, arising from the recording of superimposed holograms due to quadratic nonlinearity of the exposure characteristics of holographic recording media, form the connections necessary for the realisation of the quantum-logic mechanism of sequential projection of the input vector onto the subspaces of the recorded images. A classical mechanism of the ‘Linda’ cognitive phenomenon belonging to the category of quantum-like ones is described. An experimental illustration of the self-sustained formation of sub-holograms due to the nonlinearity of the exposure characteristics of holographic recording media is given. (quantum logic)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Parallel-in-time quantum simulation via Page and Wootters quantum time

In the past few decades, researchers have created a veritable zoo of quantum algorithms by drawing inspiration from classical computing, information theory, and even from physical phenomena. Here, we present quantum algorithms for parallel-in-time simulations that are inspired by the Page and Wootters formalism. In this framework, and thus in our algorithms, the classical time variable of quantum mechanics is promoted to the quantum realm by introducing a Hilbert space of “clock” qubits that are then entangled with the “system” qubits. We show that our algorithms can compute temporal properties over 𝑁 different times of many-body systems by only using log⁡(𝑁) clock qubits. As such, we achieve an exponential trade-off between time and spatial complexities. In addition, we rigorously prove that the entanglement created between the system qubits and the clock qubits has operational meaning, as it encodes valuable information about the system’s dynamics. We also provide a circuit depth estimation of all the protocols, showing a running time advantage in computation times over traditional sequential-in-time algorithms. In particular, for the case when the dynamics are determined by the Aubry-Andre model, we present a hybrid method for which our algorithms have a depth that only scales as 𝒪⁡(log⁡(𝑁)⁢𝑛). As a by-product, we can relate the previous schemes to the problem of equilibration of an isolated quantum system, thus indicating that our framework enables a new dimension for studying dynamical properties of many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Overview of the MISSE-16 Mission and Preliminary Characterization of Novel Space Weathered Materials

The Materials International Space Station Experiment (MISSE) project is a series of experiments that began in 2001, involving the deployment of external experiment platforms on the International Space Station (ISS). Since then, more than 4,000 materials were tested yielding valuable data and insights into the performance of materials and coatings in the harsh space environment, as well as providing a platform for testing and validating new materials and technologies. The results of the MISSE experiments have contributed to the development of more durable and reliable spacecraft and equipment, as well as improving our understanding of the space environment and its effects on human space exploration. To gain deeper insights into the changes in material properties of both novel and heritage spacecraft materials over the course of a mission, we proposed to enhance the MISSE hardware. This was achieved by integrating a high-resolution camera that can capture both RGB and IR color data, along with an updated illumination scheme. The identical sets of selected materials were mounted on the Zenith, Ram, and Wake faces of the ISS to expose them to predominant vacuum ultraviolet (VUV), atomic oxygen, and high-energy electron conditions. In addition, we exposed flight duplicates of these materials to a simulated space environment, which included sequential exposure to the same irradiation species on the ground. This allowed us to study the effects of space exposure on the materials in a controlled manner and to compare their behavior in both real and simulated space environments. The MISSE-FF flight sample collection comprised different classes of polymers, including polyimides from the Kapton family, manufactured by E.I du Pont de Nemours and Co., Polyethylene terephthalate (PET) materials, liquid crystal polymers, PI/Polyhedral Oligomeric Silsesquioxanes (POSS), and carbon and glass fiber reinforced polymers. The experimental cadence during the MISSE-16 mission (~6 months) included daily images of each sample for the first week, weekly for the next 2 months, and monthly the remaining duration of the mission. This paper will focus on the flight duplicate as well as the postflight optical characterization of novel and heritage materials currently under observation on the MISSE-FF.

Jainisha R Shah↗

TH-CD-202-01: BEST IN PHYSICS (JOINT IMAGING-THERAPY): Evaluation of the Use of Direct Electron Density CT Images in Radiation Therapy

Purpose: The current standard for calculation of photon and electron dose requires conversion of Hounsfield Units (HU) to Electron Density (ED) by applying a calibration curve specifically constructed for the corresponding CT tube voltage. This practice limits the use of the CT scanner to a single tube voltage and hinders the freedom in the selection of optimal tube voltage for better image quality. The objective of this study is to report a prototype CT reconstruction algorithm that provides direct ED images from the raw CT data independently of tube voltages used during acquisition. Methods: A tissue substitute phantom was scanned for Stoichiometric CT calibrations at tube voltages of 70kV, 80kV, 100kV, 120kV and 140kV respectively. HU images and direct ED images were acquired sequentially on a thoracic anthropomorphic phantom at the same tube voltages. Electron densities converted from the HU images were compared to ED obtained from the direct ED images. A 7-field treatment plan was made on all HU and ED images. Gamma analysis was performed to demonstrate quantitatively dosimetric change from the two schemes in acquiring ED. Results: The average deviation of EDs obtained from the direct ED images was −1.5%±2.1% from the EDs from HU images with the corresponding CT calibration curves applied. Gamma analysis on dose calculated on the direct ED images and the HU images acquired at the same tube voltage indicated negligible difference with lowest passing rate at 99.9%. Conclusion: Direct ED images require no CT calibration while demonstrate equivalent dosimetry compared to that obtained from standard HU images. The ability of acquiring direct ED images simplifies the current practice at a safer level by eliminating CT calibration and HU conversion from commissioning and treatment planning respectively. Furthermore, it unlocks a wider range of tube voltages in CT scanner for better imaging quality while maintaining similar dosimetric accuracy.

60 APPLIED LIFE SCIENCES↗

On the variational equations for Householder transformations in feature selection

Results that suggest the possibility of using a sequential monotone process for solving the feature selection problem using Householder transformations are applied to the divergence separability criterion and an expression for the gradient of the divergence with respect to the generator of a single Householder transformation will be developed. This expression for the gradient is used in any number of differential correction schemes (iterators) that attempt to extremize the divergence. Data sets provided by the Earth Observations Division-JSC are used to demonstrate selecting the Householder transformations that generate the kxn matrix defining the best (in the sense of extremizing the divergence) k linear combinations of features. The tests allow initial comparisons to be made with results. In particular, this technique does not appear to require initial guesses for the iterator to be generated without replacement, exhaustive search, or other similar schemes.

Decell, H. P., Jr.↗