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At least 559 records · Page 31

Memory-Aware External Facelist Calculation: A Data-Parallel Atomic Hash Counting Approach

Unstructured volumetric meshes serve as fundamental data representations in various scientific simulations and analyses. They play a crucial role in representing complex computational domains and are essential for important numerical techniques, such as finite element analysis. Whenever such a mesh is read from a file, streamed in-situ, or generated by algorithms, scientific visualization libraries rely on calculating the external surface of a geometry, named “external facelist”, to produce a polygonal mesh for rendering. Consequently, external facelist calculation has become one of the most widely used algorithms in the scientific visualization domain, necessitating optimal performance. In this paper, we explore relevant work on external facelist calculation algorithms in two common visualization libraries, VTK and Viskores, assess their performance and memory constraints, and introduce a novel memory-aware external facelist calculation algorithm employing an atomic hash counting approach. This algorithm fully leverages Viskores' data-parallel primitive operations, facilitating its execution across diverse many-core architectures. Our algorithm features the lowest memory footprint on the GPU and the second-lowest on the CPU among all evaluated methods, and it also delivers the fastest performance on both CPU and GPU. It has been made available under an open-source license in the VTK and Viskores visualization systems.

Tsalikis, Spiros [Kitware] (ORCID:0000000151137195↗

Native phasing of x-ray free-electron laser data for a G protein–coupled receptor

Serial femtosecond crystallography (SFX) takes advantage of extremely bright and ultrashort pulses produced by x-ray free-electron lasers (XFELs), allowing for the collection of high-resolution diffraction intensities from micrometer-sized crystals at room temperature with minimal radiation damage, using the principle of “diffraction-before-destruction.” However, de novo structure factor phase determination using XFELs has been difficult so far. We demonstrate the ability to solve the crystallographic phase problem for SFX data collected with an XFEL using the anomalous signal from native sulfur atoms, leading to a bias-free room temperature structure of the human A 2A adenosine receptor at 1.9 Å resolution. The advancement was made possible by recent improvements in SFX data analysis and the design of injectors and delivery media for streaming hydrated microcrystals. This general method should accelerate structural studies of novel difficult-to-crystallize macromolecules and their complexes.

47 OTHER INSTRUMENTATION↗

Industrial Scale Demonstration of Smart Manufacturing, Achieving Transformational Energy Productivity Gains

While many U.S. manufacturing operations utilize optimization for individual unit processes, smart manufacturing (SM) systems that integrate manufacturing intelligence in real time across an entire production operation are rare in large companies and virtually nonexistent in smaller organizations. One example of an area where SM systems can be applied is in the management of waste heat. A smart system that not only seeks to recover waste heat, but also to use energy more efficiently, is a more cost-effective approach because energy use, waste energy loss and product output are optimized together. The overall objective of this project was to develop an industry-accepted SM Platform that enables smart systems by accelerating and lowering the cost of development and implementation scales for use in diverse sets of manufacturing industry sectors, manufacturing operations and company sizes. Specifically, the project (1) designed and demonstrated the application of a prototype SM Platform for two diverse commercial test beds, (2) demonstrated at one and estimated for the other test bed the potential reduction in waste heat generation, and (3) worked with leading automation vendors to catalyze low-cost commercialization of the technology developed. The Smart Manufacturing Application and Data Platform (SM Platform) developed during this project is an innovative approach that marries IT virtualization technologies with operational data and modeling system requirements to construct a ready-to-go platform for enabling sensor – data – modeling – actuation systems, driven by real-time plant data and performance metrics. This SM Platform allows manufacturing organizations, regardless of their industry or size, to assemble new operational systems at a much lower cost, optimizing process knowledge and improving energy productivity by integrating with existing process control and automation systems. Also developed during this project is a methodology for developing energy productivity metrics that use real-time process information and provide comparisons for potential, practical, and actual performance, as well as examples and the methodology for provisioning of an Energy Dashboard that displays alternatives to optimize energy use within specific business contexts aimed at helping improve energy productivity and reduce emissions in U.S. manufacturing. The SM Platform designed utilizes current manufacturing, operational and IT industry standards. The platform can be used to expedite sensor – data – model – actuation system development and deployment in a cloud-based environment using a novel end-to-end workflow as a service capability that is already integrated with data connection, ingestion, and contextualization services. In addition, the methodology for development of energy productivity metrics and reusable application templates called Toolkits have been defined so that they can be tailored to a specific business situation. The project’s two test beds, one in a hydrogen production plant and the other in a forging, heat treatment, and machining operation, utilize sensor-driven modeling, measurement, and simulation systems. In these two test beds, the implementation of these as a comprehensive system has made it possible for energy productivity to be managed in real-time throughout the plant and enterprise using an energy dashboard. The development pathway to direct machine actuation was articulated. During the first year, the project team developed the most highly instrumented steam-methane reformer (SMR) in the U.S. using infrared cameras and thermocouples. Real-time data are streamed to high fidelity and reduced-order models for analysis. A high fidelity CFD model, parallelized in the SM Platform cloud environment, was demonstrated for operational use. This is the first real-time operational productivity system of a steam methane reformer using both high fidelity and data-driven models together in a real time situation to balance natural gas flow to the reformer tubes. An infrared camera system was developed and shown to outperform thermocouples in coverage, accuracy, reliability, and cost effectiveness for use in a high temperature, harsh environment. A forging, heat-treating, machining line operation test bed includes new instrumentation for data capture analysis, modeling, and simulation and will be integrated into SM Platform workflows so that business performance can be managed in real-time. Composable metrics were developed using the SM Platform to drive improvements in energy productivity, environmental performance, safety, asset management, costs, and overall operations. A major focus of the SM systems developed was optimization of energy productivity at the enterprise level, which resulted in reductions in waste heat generation for the two project test beds. Reductions in the waste heat generated will result in greater energy savings than will waste heat recovery due to inefficiencies in the heat transfer process. For the SMR test bed an efficiency improvement of 1 – 2% with a corresponding waste heat reduction of 5% were demonstrated. It should be noted that the test bed SMR unit had an efficiency of more than 90% as compared to 70 to 80% efficiencies of most SMR units. So implementation of similar SM systems at typical SMR units could yield more than 15 to 25% waste heat reductions. Similarly the forging, heat-treating, machining line operation test bed is a DOE AMO Platinum Level Superior Energy Performance plant with a much higher than typical overall operating efficiency. For this test bed heat integration using recuperators is estimated to result in fuel savings of 15.9% due to waste heat recovery compared to the base case without recuperators with negligible changes in part exit conditions. This results in an 18.9% energy efficiency improvement. The project team estimates that broad multi-sector adoption of the developed technology could reduce waste heat generation by an amount equivalent to 1.3% of total U.S. energy use. This waste heat reduction is associated with 69 million tons reduction in annual carbon dioxide emissions. Other potential benefits include reducing process times, solid and liquid wastes, environmental impacts, and water use. It is estimated that this investment has an anticipated payback period of less than one year in energy-intensive applications. The SM Platform could also reduce the costs of deploying SM systems by 50% in manufacturing operations. Commercialization of the SM Platform will require significant cross-industry collaboration and technology provider market changes. Steps taken toward commercialization included 1) analyzing savings from deployment of the SM Platform and 2) holding SM Platform workshops, webinars, and conferences with targeted individual industry segments, with a focus on small and medium-sized organizations. An upgraded community website has been established as a portal for accessing and distributing information. Most importantly, the SM platform enabling technology developed during this project and its commercialization will continue, evolve and expand under the Clean Energy Smart Manufacturing Innovation Institute (CESMII).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Search for 10–1000 GeV Neutrinos from Gamma-Ray Bursts with IceCube

We present the results of a search for 10–1000 GeV neutrinos from 2268 gamma-ray bursts (GRBs) over 8 yr of IceCube-DeepCore data. This work probes burst physics below the photosphere where electromagnetic radiation cannot escape. Neutrinos of tens of giga electronvolts are predicted in sub-photospheric collision of free-streaming neutrons with bulk-jet protons. In a first analysis, we searched for the most significant neutrino-GRB coincidence using six overlapping time windows centered on the prompt phase of each GRB. In a second analysis, we conducted a search for a group of GRBs, each individually too weak to be detectable, but potentially significant when combined. No evidence of neutrino emission is found for either analysis. The most significant neutrino coincidence is for Fermi-GBM GRB bn 140807500, with a p-value of 0.097 corrected for all trials. The binomial test used to search for a group of GRBs had a p-value of 0.65 after all trial corrections. The binomial test found a group consisting only of GRB bn 140807500 and no additional GRBs. The neutrino limits of this work complement those obtained by IceCube at tera electronvolt to peta electronvolt energies. We compare our findings for the large set of GRBs as well as GRB 221009A to the sub-photospheric neutron-proton collision model and find that GRB 221009A provides the most constraining limit on baryon loading. For a jet Lorentz factor of 300 (800), the baryon loading on GRB 221009A is lower than 3.85 (2.13) at a 90% confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗

DMTN-165: A Hybrid Notification and Alert Retrieval Service

We consider the implications of providing a subset of alert packet contents in the alert stream, with the full alert packets available for rate-limited retrieval using an identifier included in the "lightweight" alert. This hybrid approach would enable much wider dissemination of the complete lightweight alert stream, potentially to thousands more users than is possible in the current baseline. In turn this "alerts on your laptop" access would allow users to conduct more sophisticated filtering and analysis than the current Alert Filtering Service, increasing the overall scientific returns of the alert stream. Community brokers would still be able to retrieve all of the contents of the full alert stream within the 60 second latency window and would gain greater control over their ingestion of the bulk alert data. Technically, this hybrid system may represent a modest increase in complexity over the current baseline but is likely to be more operationally robust.

79 ASTRONOMY AND ASTROPHYSICS↗

Analysis and testing of two-dimensional vented Coanda ejectors with asymmetric variable area mixing sections

The analysis of asymmetric, curved (Coanda) ejector flow has been completed using a finite difference technique and a quasi-orthogonal streamline coordinate system. The boundary layer type jet mixing analysis accounts for the effect of streamline curvature in pressure gradients normal to the streamlines and on eddy viscosities. The analysis assured perfect gases, free of pressure discontinuities and flow separation and treated three compound flows of supersonic and subsonic streams. Flow parameters and ejector performance were measured in a vented Coanda flow geometry for the verification of the computer analysis. A primary converging nozzle with a discharge geometry of 0.003175 m x 0.2032 m was supplied with 0.283 cu m/sec of air at about 241.3 KPa absolute stagnation pressure and 82 C stagnation temperature. One mixing section geometry was used with a 0.127 m constant radius Coanda surface. Eight tests were run at spacing between the Coanda surface and primary nozzle 0.01915 m and 0.318 m and at three angles of Coanda turning: 22.5 deg, 45.0 deg, and 75.0 deg. The wall static pressures, the loci of maximum stagnation pressures, and the stagnation pressure profiles agree well between analytical and experimental results.

Maroti, L. A.↗

Acoustic and aerodynamic performance investigation of inverted velocity profile coannular plug nozzles

The results of model scale parametric static and wind tunnel aerodynamic performance tests on unsuppressed coannular plug nozzle configurations with inverted velocity profile are discussed. The nozzle configurations are high-radius-ratio coannular plug nozzles applicable to dual-stream exhaust systems typical of a variable cycle engine for Advanced Supersonic Transport application. In all, seven acoustic models and eight aerodynamic performance models were tested. The nozzle geometric variables included outer stream radius ratio, inner stream to outer stream ratio, and inner stream plug shape. When compared to a conical nozzle at the same specific thrust, the results of the static acoustic tests with the coannular nozzles showed noise reductions of up to 7 PNdB. Extensive data analysis showed that the overall acoustic results can be well correlated using the mixed stream velocity and the mixed stream density. Results also showed that suppression levels are geometry and flow regulation dependent with the outer stream radius ratio, inner stream-to-outer stream velocity ratio and inner stream velocity ratio and inner stream plug shape, as the primary suppression parameters. In addition, high-radius ratio coannular plug nozzles were found to yield shock associated noise level reductions relative to a conical nozzle. The wind tunnel aerodynamic tests showed that static and simulated flight thrust coefficient at typical takeoff conditions are quite good - up to 0.98 at static conditions and 0.974 at a takeoff Mach number of 0.36. At low inner stream flow conditions significant thrust loss was observed. Using an inner stream conical plug resulted in 1% to 2% higher performance levels than nozzle geometries using a bent inner plug.

Knott, P. R.↗

A current disruption mechanism in the neutral sheet - A possible trigger for substorm expansions

A linear analysis is performed to investigate the kinetic cross-field streaming instability in the earth's magnetotail neutral sheet region. Numerical solution of the dispersion equation shows that the instability can occur under conditions expected for the neutral sheet just prior to the onset of substorm expansion. The excited waves are obliquely propagating whistlers with a mixed polarization in the lower hybrid frequency range. The ensuing turbulence of this instability can lead to a local reduction of the cross-tail current causing it to continue through the ionosphere to form a substorm current wedge. A substorm expansion onset scenario is proposed based on this instability in which the relative drift between ions and electrons is primarily due to unmagnetized ions undergoing current sheet acceleration in the presence of a cross-tail electric field. The required electric field strength is within the range of electric field values detected in the neutral sheet region during substorm intervals. The skew in local time of substorm onset location and the three conditions under which substorm onset is observed can be understood on the basis of the proposed scenario.

Lui, A. T. Y.↗

Hypersonic merged layer blunt body flows with wakes

An attempt is made here to understand the basic physics of the flowfield with wake on a blunt body of revolution under hypersonic rarefied conditions. A merged layer model of flow is envisioned. Full steady-state Navier-Stokes equations in spherical polar coordinate system are computed from the surface with slip and temperature jump conditions to the free stream by the Accelerated Successive Replacement method of numerical integration. Analysis is developed for bodies of arbitrary shape, but actual computations have been carried out for a sphere and sphere-cone body. Particular attention is paid to set the limit of the onset of separation, wake closure, shear-layer impingement, formation and dissipation of the shocks in the flowfield. Validity of the results is established by comparing the present results for sphere with the corresponding results of the SOFIA code in the common region of their validity and with the experimental data.

Jain, Amolak C.↗

Theoretical aerodynamic characteristics of a family of slender wing-tail-body combinations

The aerodynamic characteristics of an airplane configuration composed of a swept-back, nearly constant chord wing and a triangular tail mounted on a cylindrical body are presented. The analysis is based on the assumption that the free-stream Mach number is near unity or that the configuration is slender. The calculations for the tail are made on the assumption that the vortex system trailing back from the wing is either a sheet lying entirely in the plane of the flat tail surface or has completely "rolled up" into two point vortices that lie either in, above, or below the plane of the tail surface.

Lomax, Harvard↗

Atmospheric Electron-induced X-Ray Spectrometer (AEXS) Instrument Development

Introduction: This paper describes the progress in data acquisition and establishing the observational capability of the AEXS instrument. The AEXS is a miniature instrument[1-4] based on the excitation of characteristic X-Ray Fluorescence (XRF) and luminescence spectra using a focused electron beam which enables nondestructive evaluation of sample surfaces in planetary ambient atmospheres. In situ operation is obtained through the use of a thin electron transmissive membrane to isolate the vacuum of the AEXS source from the outside ambient atmosphere. Thus eliminating the need for a vacuum pumped sample chamber as is common in all laboratory SEM s. The transmitted electrons impinge on the sample exciting XRF spectra from the irradiated spot on in-situ or collected samples with sub-mm to cm-scale spatial resolution at Mars atmospheric pressure. The AEXS system (Fig 1) consists of a high-energy (>10keV) electron gun encapsulated by the isolation membrane, an XRF detection and analyzer system, and a high voltage power supply. The XRF data are analyzed to determine the elemental abundance for the irradiated spots. The approach to demonstrating a proof of concept of the AEXS has been through 1) demonstrating the viability of microfabricated membranes, 2) assembling AEXS setups with increasingly integrated functional components, and 3) simulating the AEXS observational capabilities. The development of the instrument is described in detail in the poster paper[4] at this conference. This paper focuses on describing the progress of the AEXS instrument to acquire XRF data and using commercially available software to analyze the data streams and determine the accuracy, precision and resolution of the analysis compared to the certified elemental abundance.

Urgiles, E.↗

Why wait? Let's start computing while data is still on the wire

In this era of Big Data, computing useful information from data is becoming increasingly complicated, particularly due to the ever increasing volumes of data that need to travel over the network to data centers to be stored and processed, all highly expensive operations in the long haul. In this paper we suggest that we can do computing and analysis of data "on the wire," i.e., while data is still in transit. The nature of these computations include analysis, visualization, pattern recognition, and prediction, or forecasting, on the streaming data. We follow a service function chaining architecture to implement this, assuming that the data packets arrive within a single network administrative domain. As a demonstration of this new computing paradigm, we present three examples. Firstly, we demonstrate pattern recognition and data visualization on streaming forex data, which can be used for lucrative trading in the forex market. In our second example, we analyze and learn user buying patterns from clickstream data streaming from multiple websites. Finally, we monitor solar sensors for a zero reading while the packets are still on their way to the data center, to schedule any maintenance and requisite repairs with no time delay.

97 MATHEMATICS AND COMPUTING↗

Molecular dynamics and continuum analyses of the electrokinetic zeta potential in nanostructured slit channels

This work presents a theoretical and numerical study of electrokinetic flow and the zeta potential for the case of slit channels with nanoscale surface features of dimensions comparable to the Debye length, by employing molecular dynamics simulations and continuum-level analyses. Additionally, a simple analytical model for considering the average effect of such surface features producing nanoscale roughness is proposed by employing matched asymptotic solutions for the charge density and fluid flow field, and matching conditions that satisfy electroneutrality and the Onsager reciprocal relation between the electroosmotic flow rate and streaming current. The proposed analytical model quantitatively accounts for results from molecular dynamics simulations that consider the presence of ion solvation shells and surface hydration layers. Our analysis indicates that a simultaneous knowledge of the electroosmotic and pressure-driven flow rate or streaming current can be instrumental to unambiguously determine the zeta potential in the presence of nanoscale surface features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Study of the Trade-off Between Reducing Precision and Reducing Resolution for Data Analysis and Visualization

There presently exist two dominant strategies to reduce data sizes in analysis and visualization: reducing the precision of the data, e.g., through quantization, or reducing its resolution, e.g., by subsampling. Both have advantages and disadvantages and both face fundamental limits at which the reduced information ceases to be useful. The paper explores the additional gains that could be achieved by combining both strategies. In particular, we present a common framework that allows us to study the trade-off in reducing precision and/or resolution in a principled manner. We represent data reduction schemes as progressive streams of bits and study how various bit orderings such as by resolution, by precision, etc., impact the resulting approximation error across a variety of data sets as well as analysis tasks. Additionally, we compute streams that are optimized for different tasks to serve as lower bounds on the achievable error. Scientific data management systems can use the results proposed in this paper as guidance on how to store and stream data to make efficient use of the limited storage and bandwidth in practice.

97 MATHEMATICS AND COMPUTING↗

A calculation procedure for viscous flow in turbomachines, volume 1

A method for analyzing the nonadiabatic viscous flow through turbomachine rotors is presented. The field analysis is based upon the numerical integration of the full incompressible stream function vorticity form of the Navier-Stokes equations, together with the energy equation, over the rotor blade-to-blade stream channels. The numerical code used to solve the governing equations employs a nonorthogonal boundary fitted coordinate system that suits the most complicated blade geometries. A numerical scheme is used to carry out the necessary integration of the elliptic governing equations. The flow characteristics within the rotor of a radial inflow turbine are investigated over a wide range of operating conditions. The calculated results are compared to existing experimental data. The flow in a radial compressor is analyzed in order to study the behavior of viscous flow in diffusing cascades. The results are compared qualitatively to known experimental trends. The solution obtained provides insight into the flow phenomena in this type of turbomachine. It is concluded that the method of analysis is quite general and gives a good representation of the actual flow behavior within turbomachine passages.

Khalil, I.↗

Acceptable Knowledge Technologist Procedure

Process acceptable knowledge (AK) is a waste stream characterization method that can be used to meet all or part of the waste analysis requirements appropriate for the waste. The method may include documented knowledge of process (KOP), additional characterization data, and/or facility records of analysis. LANL will use process AK to ensure chemical compatibility; assign matrix parameter categories and Environmental Protection Agency (EPA) hazardous waste numbers (HWNs) commonly referred to as EPA codes to waste streams; and determine the waste material parameters and radionuclides present in waste streams.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

RESOLVE Project

The RESOLVE project is a lunar prospecting mission whose primary goal is to characterize water and other volatiles in lunar regolith. The Lunar Advanced Volatiles Analysis (LAVA) subsystem is comprised of a fluid subsystem that transports flow to the gas chromatograph - mass spectrometer (GC-MS) instruments that characterize volatiles and the Water Droplet Demonstration (WDD) that will capture and display water condensation in the gas stream. The LAVA Engineering Test Unit (ETU) is undergoing risk reduction testing this summer and fall within a vacuum chamber to understand and characterize component and integrated system performance. Testing of line heaters, printed circuit heaters, pressure transducers, temperature sensors, regulators, and valves in atmospheric and vacuum environments was done. Test procedures were developed to guide experimental tests and test reports to analyze and draw conclusions from the data. In addition, knowledge and experience was gained with preparing a vacuum chamber with fluid and electrical connections. Further testing will include integrated testing of the fluid subsystem with the gas supply system, near-infrared spectrometer, WDD, Sample Delivery System, and GC-MS in the vacuum chamber. This testing will provide hands-on exposure to a flight forward spaceflight subsystem, the processes associated with testing equipment in a vacuum chamber, and experience working in a laboratory setting. Examples of specific analysis conducted include: pneumatic analysis to calculate the WDD's efficiency at extracting water vapor from the gas stream to form condensation; thermal analysis of the conduction and radiation along a line connecting two thermal masses; and proportional-integral-derivative (PID) heater control analysis. Since LAVA is a scientific subsystem, the near-infrared spectrometer and GC-MS instruments will be tested during the ETU testing phase.

Parker, Ray↗

Effects of thermophoresis on high-pressure binary-species boundary layers with uniform and non-uniform compositions

Direct numerical simulations of high-pressure binary-species temporal boundary layers are performed to investigate the flow physics for three situations: (1) uniform and equal composition, (2) uniform but unequal compositions and (3) non-uniform composition. Both colder- and hotter-wall situations compared with the free stream are simulated. The working fluid is a nitrogen/methane mixture. The analysis is performed at a case-specific self-similar state. Even when the initial composition is uniform, the methane mean mass fraction decreases near the colder wall, whereas it increases near the hotter wall and the mass fraction fluctuates in the entire boundary layer. Analysis of the species-mass diffusion balance and flow structures reveal that both mass-fraction variation and fluctuations are induced by the Soret effect. When the initial composition is non-uniform and the wall is colder, the methane mean mass fraction monotonically increases from the wall akin to its initial profile. However, when the wall is hotter the mean mass fraction decreases near the wall in contrast to its initial profile, a fact traced through the species-mass diffusion balance to the Soret effect being large and enriching methane near the wall. In contrast, the direction of the Soret flux is opposite for the colder wall, thus keeping the methane concentration small. Although the initial magnitude of the difference between the wall and free-stream temperature is the same in all cases, the situation is not symmetric between colder- and hotter-wall cases; the flow structure exhibits much smaller scales when the wall is hotter than when the wall is colder.

Mechanics↗