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At least 19 records

Aces4: A Platform for Computational Chemistry Calculations with Extremely Large Block-Sparse Arrays

Aces4 is a parallel programming platform comprising a DSL for Computational Chemistry and its runtime system. It offers a convenient way to express parallelism together with extensive support for extremely large, possibly sparse, distributed arrays. It aids scientists in the creation of performant, scalable, massively parallel programs that can effectively take advantage of leadership class computing systems to address important scientific questions. Aces4 has enabled the development and implementation of new methods in electronic structure theory which are breaking new ground in their ability to perform highly accurate calculations on ever larger molecular systems. In this paper the design of Aces4, which is based on the the Super Instruction Architecture approach, is described. Experimental scaling results for Molecular Cluster Perturbation Theory, a new method enabled by Aces4, and CCSD, a widely used computational chemistry method are given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Designing of sparse 2D arrays for Lamb wave imaging using coarray concept

2D ultrasonic arrays have considerable application potential in Lamb wave based SHM systems, since they enable equivocal damage imaging and even in some cases wave-mode selection. Recently, it has been shown that the 2D arrays can be used in SHM applications in a synthetic focusing (SF) mode, which is much more effective than the classical phase array mode commonly used in NDT. The SF mode assumes a single element excitation of subsequent transmitters and off-line processing the acquired data. In the simplest implementation of the technique, only single multiplexed input and output channels are required, which results in significant hardware simplification. Application of the SF mode for 2D arrays creates additional degrees of freedom during the design of the array topology, which complicates the array design process, however, it enables sparse array designs with performance similar to that of the fully populated dense arrays. In this paper we present the coarray concept to facilitate synthesis process of an array’s aperture used in the multistatic synthetic focusing approach in Lamb waves-based imaging systems. In the coherent imaging, performed in the transmit/receive mode, the sum coarray is a morphological convolution of the transmit/receive sub-arrays. It can be calculated as the set of sums of the individual sub-arrays’ elements locations. The coarray framework will be presented here using a an example of a star-shaped array. The approach will be discussed in terms of beampatterns of the resulting imaging systems. Both simulated and experimental results will be included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CO 2 Injection Monitoring with a Scalable, Automated Sparse Seismic Array

Conference presentation at American Institute of Chemical Engineers (AIChE) Annual Meeting, Virtual, November 16–20, 2020. The scalable, automated sparse seismic array (SASSA) method has been ideated as a cost-effective alternative or complementary to conventional 3D seismic methods. Based on a sparse array of receivers deployed strategically on Earth’s surface and one or more fixed seismic sources, the SASSA method can be used to study specific portions of the subsurface to detect the movement of CO 2 in a reservoir with lower environmental footprint and shorter turnaround time to deliver results than conventional 3D seismic methods. Energy & Environmental Research Center (EERC) carried out seismic monitoring of an oilfield undergoing CO 2 enhanced oil recovery in Montana, USA, using the SASSA method.

02 PETROLEUM↗

Phase-weighted slant stacking for surface wave dispersion measurement

SUMMARY Surface wave retrieval from ambient noise records using seismic interferometry techniques has been widely used for multiscale shear wave velocity (Vs) imaging. One key step during Vs imaging is the generation of dispersion spectra and the extraction of a reliable dispersion curve from the retrieved surface waves. However, the sparse array geometry usually affects the ability for high-frequency (>1 Hz) seismic signals’ acquisition. Dispersion measurements are degraded by array response due to sparse sampling and often present smeared dispersion spectra with sidelobe artefacts. Previous studies usually focus on interferograms’ domain (e.g. cross-correlation function) and attempt to enhance coherent signals before dispersion measurement. We propose an alternative technique to explicitly deblur dispersion spectra through use of a phase-weighted slant-stacking algorithm. Numerical examples demonstrate the strength of the proposed technique to attenuate array responses as well as incoherent noise. Three different field examples prove the flexibility and superiority of the proposed technique: the first data set consists of ambient noise records acquired using a nodal seismometer array; the second data set utilizes distributed acoustic sensing (DAS) and a marine fibre-optic cable to acquire a similar ambient noise data set; the last data set is a vibrator-based active-source surface wave data. The enhanced dispersion measurements provide cleaner and higher-resolution spectra without distortions which will assist both human interpreters as well as ML algorithms in efficiently picking curves for subsequent Vs inversion.

58 GEOSCIENCES↗

Damage imaging using Lamb waves for SHM applications

2-D ultrasonic arrays, due to their beam-steering capability and all azimuth angle coverage are a very promising tool for the inspection of plate-like structures using Lamb waves (LW). Contrary to the classical linear phased arrays (PAs) the 2D arrays enable unequivocal defect localization and they are even capable of mode selectivity of the received LWs . Recently, it has been shown that multistatic synthetic focusing (SF) algorithms applied for 2D arrays are much more effective than the classical phase array mode commonly used in NDT. The multistatic SF assumes multiple transmissions of elements in a transmitting aperture and off-line processing of the data acquired by a receiving aperture. In the simplest implementation of the technique, only a single multiplexed input and a number of output channels are required, which results in significant hardware simplification compared with the PA systems. On the one hand implementation of the multistatic SF to 2D arrays creates additional degrees of freedom during the design of the array topology, which complicates the array design process. On the other hand, it enables designing sparse arrays with performance similar to that of the fully populated dense arrays. In this paper we present a general systematic approach to the design and optimization of imaging systems based on the 2D array operating in the multistatic mode. We start from presenting principles of the SF schemes applied to LW imaging. Then, we outline the coarray concept and demonstrate how it can be used for reducing number of elements of the 2D arrays. Finally, efficient tools for the investigation and experimental verification of the designed 2D array prototypes are presented. The first step in the investigation is theoretical evaluation performed using frequency-dependent structure transfer function (STF), which enables approximate simulation of an array excited with a tone-burst in a dispersive medium. Finally, we show how scanning laser vibrometer, sensing waves in multiple points corresponding to the locations of the 2D receiving array elements, can be used as a tool for rapid experimental verification of the developed topologies. The presented methods are discussed in terms of the beampatterns and sparse versions of the fully populated array topologies are be presented. The effect of apodization applied to the array elements is also investigated. Both simulated and experimental results are included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reconstruction Techniques for Sparse Multistatic Linear Array Microwave Imaging

Sequentially-switched linear arrays are an enabling technology for a number of near-field microwave imaging applications. Electronically sequencing along the array axis followed by mechanical scanning along an orthogonal axis allows dense sampling of a two-dimensional aperture in near real-time. In this paper, a sparse multi-static array technique will be described along with associated Fourier-Transform-based and back-projection-based image reconstruction algorithms. Simulated and measured imaging results are presented that show the effectiveness of the sparse array technique along with the merits and weaknesses of each image reconstruction approach.

concealed-weapon detection↗

Impulsive Magnetic Anomaly Detection At the 100-m Scale With an Array of Induction Coil Magnetometers

We demonstrate magnetic anomaly detection (MAD) using an array of 24 commercial induction coil magnetometers with stand-off distances from a pulsed 99.8(3) kA·m 2 magnetic dipole source of 260–1200 m. The sparse array is used to estimate the magnetic dipole location, magnitude, and orientation. We demonstrate how independent component analysis (ICA) improves the accuracy and precision of the magnetometer array when estimating the dipole parameters. Using sensor responses recorded from individual source pulses, we estimate the dipole location to within 29 ± 2 m, the magnitude to within 3 ± 3 kA·m 2 , and dipole orientation error to within 19 ± 0.6°.

47 OTHER INSTRUMENTATION↗

Polarimetric Geometric Modeling for mm-VLBI Observations of Black Holes

The Event Horizon Telescope (EHT) is a millimeter very long baseline interferometry (VLBI) array that has imaged the apparent shadows of the supermassive black holes M87* and Sagittarius A*. Polarimetric data from these observations contain a wealth of information on the black hole and accretion flow properties. In this work, we develop polarimetric geometric modeling methods for mm-VLBI data, focusing on approaches that fit data products with differing degrees of invariance to broad classes of calibration errors. We establish a fitting procedure using a polarimetric “m-ring” model to approximate the image structure near a black hole. By fitting this model to synthetic EHT data from general relativistic magnetohydrodynamic models, we show that the linear and circular polarization structure can be successfully approximated with relatively few model parameters. We then fit this model to EHT observations of M87* taken in 2017. In total intensity and linear polarization, the m-ring fits are consistent with previous results from imaging methods. In circular polarization, the m-ring fits indicate the presence of event-horizon-scale circular polarization structure, with a persistent dipolar asymmetry and orientation across several days. The same structure was recovered independently of observing band, used data products, and model assumptions. Despite this broad agreement, imaging methods do not produce similarly consistent results. Our circular polarization results, which imposed additional assumptions on the source structure, should thus be interpreted with some caution. Polarimetric geometric modeling provides a useful and powerful method to constrain the properties of horizon-scale polarized emission, particularly for sparse arrays like the EHT.

79 ASTRONOMY AND ASTROPHYSICS↗

Spray: Sparse Reductions of Arrays in OPEN MP

We present SPRAY, an open-source header-only C++ library for sparse reductions of arrays. SPRAY is meant for applications in which a large array is collaboratively updated by multiple threads using an associative and commutative operation such as +=. Especially when each thread accesses only parts of the array, SPRAY can perform significantly better than OPENMP's built-in reduction clause or atomic updates, while also using less memory than the former. SPRAY provides both an easy-to-use interface that can serve as a drop-in replacement for OPENMP reductions and a selection of reducer objects that accumulate the final result in different thread-safe ways. We demonstrate SPRAY through multiple test cases including the LULESH shock hydrodynamics code and a transpose-matrix-vector multiplication for sparse matrices stored in CSR format. SPRAY reductions outperform built-in OPENMP reductions consistently, in some cases improving run time and memory overhead by 20X, and even beating domain-specific approaches such as Intel MKI, by over 2X in some cases. Furthermore, SPRAY reductions have a minimal impact on the code base, requiring only a few lines of source code changes. Once in place, SPRAY reduction schemes can be switched easily, allowing performance portability and tuning opportunities by separating performance-critical implementation details from application code.

OpenMP↗

Surface Passivation and Carrier Collection in {110}, {100} and Circular Si Microwire Solar Cells

Surface recombination is a major bottleneck for realizing highly efficient micro/nanostructure solar cells. Parametric studies of the influence of Si microwire (SiMW) surface-facet orientation (rectangular with flat-facets, {110}, {100} and circular), with a fixed height of 10 µm, diameter (D = 1.5–9.5 µm), and sidewall spacing (S = 2.5–8.5 µm), and mesh-grid density (1–16 mm -2 ) on recombination and carrier collection in SiMW solar cells with radial p-n junctions are reported. An effective surface passivation layer composed of thin thermally grown silicon dioxide (SiO 2 ) and silicon nitride (SiN x ) layers is employed. For a fixed D of 1.5 µm, tight SiMW spacing results in improved short-circuit current density (J sc = 30.1 mA cm -2 ) and sparse arrays result in open-circuit voltages (V oc = 0.552 V) that are similar to those of control Si planar cells. For a fixed S, smaller D results in better light trapping at shorter wavelengths and higher J sc while larger D exhibits better light trapping at larger wavelengths and a higher V oc . With a mesh-grid electrode the power conversion efficiency increases to 15.3%. Finally, these results provide insights on the recombination mechanisms in SiMW solar cells and provide general design principles for optimizing their performance.

14 SOLAR ENERGY↗

A zone-level occupancy counting system for commercial office spaces using low-resolution time-of-flight sensors

Understanding the locations of occupants in a commercial built environment is critical for realizing energy savings by delivering lighting, heating, and cooling only where it is needed. In this paper, we present an indoor occupancy counting system using a sparse array of inexpensive, low-resolution, and privacy-preserving time-of-flight sensors. We develop and validate an algorithm for zonal occupancy counting that can deal with multiple people walking underneath the sensors in arbitrary directions, and evaluate the system both in realistic simulations of office spaces and in a real-world installation. Finally, we found that our system has an error rate of around 0.4%, resulting in highly accurate person localization and zone counting using only a few sensors per space.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Observations of Ocean Surface Wave Attenuation in Sea Ice Using Seafloor Cables

Abstract The attenuation of ocean surface waves during seasonal ice cover is an important control on the evolution of Arctic coastlines. The spatial and temporal variations in this process have been challenging to resolve with conventional sampling using sparse arrays of moorings or buoys. We demonstrate a novel method for persistent observation of wave‐ice interactions using distributed acoustic sensing (DAS) along existing seafloor fiber optic telecommunications cables. DAS measurements span a 36‐km cross‐shore cable on the Beaufort Shelf from Oliktok Point, Alaska. DAS optical sensing of fiber strain‐rate provides a proxy for seafloor pressure, which we calibrate with wave buoy measurements during the ice‐free season (August 2022). We apply this calibration during the ice formation season (November 2021) to obtain unprecedented resolution of variable wave attenuation rates in new, partial ice cover. The location and strength of wave attenuation serve as proxies for ice coverage and thickness, especially during rapidly evolving events.

Smith, Madison M.↗

(U) Computation acceleration using dynamic memory

Many computational applications require the repeated use of quantities, whose calculations can be expensive. In order to speed up the overall execution of the program, it is often advantageous to replace computation with extra memory usage. In this approach, computed values are stored and then, when they are needed again, they are quickly retrieved from memory rather than being calculated again at great cost. Sometimes, however, the precise amount of memory needed to store such a collection is not known in advance, and only emerges in the course of running the calculation. One problem accompanying such a situation is wasted memory space in overdimensioned (and possibly sparse) arrays. Another issue is the overhead of copying existing values to a new, larger memory space, if the original allocation turns out to be insufficient. In order to handle these runtime problems, the programmer therefore has the extra task of addressing them in the code.

97 MATHEMATICS AND COMPUTING↗

Registration of human skull computed tomography data to an ultrasound treatment space using a sparse high frequency ultrasound hemispherical array

Purpose: Transcranial focused ultrasound (FUS) shows great promise for a range of therapeutic applications in the brain. Current clinical investigations rely on the use of magnetic resonance imaging (MRI) to monitor treatments and for the registration of preoperative computed tomography (CT)-data to the MR images at the time of treatment to correct the sound aberrations caused by the skull. For some applications, MRI is not an appropriate choice for therapy monitoring and its cost may limit the accessibility of these treatments. An alternative approach, using high frequency ultrasound measurements to localize the skull surface and register CT data to the ultrasound treatment space, for the purposes of skull-related phase aberration correction and treatment targeting, has been developed. Methods: A prototype high frequency, hemispherical sparse array was fabricated. Pulse-echo measurements of the surface of five ex vivo human skulls were made, and the CT datasets of each skull were obtained. The acoustic data were used to rigidly register the CT-derived skull surface to the treatment space. The ultrasound-based registrations of the CT datasets were compared to the gold-standard landmark-based registrations. Results: The results show on an average sub-millimeter (0.9 ± 0.2 mm) displacement and subdegree (0.8° ± 0.4°) rotation registration errors. Numerical simulations predict that registration errors on this scale will result in a mean targeting error of 1.0 ± 0.2 mm and reduction in focal pressure of 1.0% ± 0.6% when targeting a midbrain structure (e.g., hippocampus) using a commercially available low-frequency brain prototype device (InSightec, 230 kHz brain system). Conclusions: If combined with ultrasound-based treatment monitoring techniques, this registration method could allow for the development of a low-cost transcranial FUS treatment platform to make this technology more widely available.

60 APPLIED LIFE SCIENCES↗

Shaped Beams from Diamond Field-Emitter Array Cathodes

Diamond field-emitter arrays (DFEAs) are arrays of diamond pyramids with exquisitely sharp tips and micrometer-scale bases that produce high current densities. These arrays can be fabricated in arbitrary shapes, ranging from single tips to many millions of tips, so that they produce an inherently shaped electron beam. Each tip emits a modest current, but the large dense array can produce many Amps. We are investigating these cathodes for use in dielectric wakefield accelerators; however, they may also be applicable to vacuum microwave tubes. Recently, shaped beam production and transport have been demonstrated in the 1.3-GHz RF gun at the Argonne Cathode Test Stand at the Argonne National Laboratory. The charge was measured on a Faraday cup and the beam imaged on a YAG screen with peak electric field gradients on the cathode ranging from 12 to 35 MV/m. Three cathode geometries were tested: one 1-mm equilateral triangle with 7-mu m base pyramids and 10-mu m pitch, one 1-mm equilateral triangle with 10-mu m base and 25-mu m pitch, and one sparse 5 x 5 square array with 20-mu m base and 400-mu m pitch. The two triangular arrays emitted 35 nC in an RF macropulse at 35 MV/m and 13-nC charge at 27 MV/m, respectively, while the sparse array emitted 0.060-nC charge at 15 MV/m. This article presents the results of the triangular array experiments, including damage due to breakdown in the RF gun and initial models of tip-to-tip shielding.

Cathodes↗