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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stochastic Kinetics of Nanocatalytic Systems

Catalytic reaction events occurring on the surface of a nanoparticle constitute a complex stochastic process. Although advances in modern single-molecule experiments enable direct measurements of individual catalytic turnover events occurring on a segment of a single nanoparticle, we do not yet know how to measure the number of catalytic sites in each segment or how the catalytic turnover counting statistics and the catalytic turnover time distribution are related to the microscopic dynamics of catalytic reactions. Here, we address these issues by presenting a stochastic kinetics for nanoparticle catalytic systems. We propose a new experimental measure of the number of catalytic sites in terms of the mean and variance of the catalytic event count. By considering three types of nanocatalytic systems, we investigate how the mean, the variance, and the distribution of the catalytic turnover time depend on the catalytic reaction dynamics, the heterogeneity of catalytic activity, and communication among catalytic sites. This work enables accurate quantitative analyses of single-molecule experiments for nanocatalytic systems and enzymes with multiple catalytic sites.

Statistical Physics↗
DOE OSTI2025

Effect of likelihood misspecification in Gaussian process-driven autonomous experimentation

In recent years, several groups have designed Autonomous Experiment (AE) models with the aim of using them as an alternative method for neutron scattering scanning. In an AE, Gaussian processes (GPs) are most frequently used due to their interpretability, their non-parametric nature, their universal approximation, and their closed-form predictive distribution. GPs have two key components, namely, the model for the likelihood of a neutron count knowing the underlying dynamic structure factor and the acquisition function. In this paper, we investigate the impact, on the quality of an AE, of the likelihood and acquisition function choices, in energy scans and (Q, ω) ones, with respect to the signal-over-noise ratio. While we hypothesized that the quality of GP predictions would decrease when the normal to Poisson likelihood approximation breaks down at low count rates, we found that the use of the correct Poisson likelihood does not improve the quality of the data collected, as well as yields very poor results in (Q, ω) scans at low count rates. In fact, the best results are obtained with a combination of normal likelihood, including the observation noise, and the change in variance acquisition function. In addition, we find that the performance, or quality of the predictive distribution, is a misleading measure of efficiency, that is, of the quality of the data collected.

Perryman, David Elliott [Inst. Laue-Langevin (ILL)↗
NASA NTRS1993

Collisional and dynamical history of Gaspra

Interpretation of the impact record on Gaspra requires understanding of the effects of collisions on a target body of Gaspra's size and shape, recognition of impact features that may have different morphologies from craters on larger planets, and models of the geological processes that erase and modify impact features. Crater counts on the 140 sq km of Gaspra imaged at highest resolution by the Galileo spacecraft show a steep size-frequency distribution (cumulative power-law index near -3.5) from the smallest resolvable size (150 m diameter) up through the large feature (1.5 km diameter crater) of familiar crater-like morphology. In addition, there appear to be as many as eight roughly circular concavities with diameters greater than 3 km visible on the asteroid. If we restrict our crater counts to features with traditionally recognized crater morphologies, these concavities would not be included. However, if we define craters to include any concave structures that may represent local or regional damage at an impact size, then the larger features on Gaspra are candidates for consideration. Acceptance of the multi-km features as craters has been cautious for several reasons. First, scaling laws (the physically plausible algorithms for extrapolating from experimental data) indicate that Gaspra could not have sustained such large-crater-forming impacts without being disrupted; second, aside from concavity, the larger structures have no other features (e.g. rims) that can be identified with known impact craters; and third, extrapolation of the power-law size distribution for smaller craters predicts no craters larger than 3 km over the entire surface. On the other hand, recent hydrocode modeling of impacts shows that for given impact (albeit into a sphere), the crater size is much larger than given by scaling laws. Gaspra-size bodies can sustain formation of up to 8-km craters without disruption. Besides allowing larger impact craters, this result doubles the lifetime since the last catastrophic fragmentation event up to one billion years. Events that create multi-km craters also globally damage the material structure, such that regolith is produced, whether or not Gaspra 'initially' had a regolith, contrary to other models in which initial regolith is required in order to allow current regolith. Because the globally destructive shock wave precedes basin formation, crater size is closer to the large size extrapolated from gravity-scaling rather than the strength-scaling that had earlier been assumed for such small bodies. This mechanism may also help explain the existence of Stickney on Phobos. Moreover, rejection of the large concavities as craters based on unfamiliar morphology would be premature, because (aside from Stickney) we have no other data on such large impact structures on such a small, irregular body. The eight candidate concavities cover an area greater than that counted for smaller craters, because they are most apparent where small craters cannot be seen: on low resolution images and at the limb on high resolution images. We estimate that there are at least two with diameter greater than 4 km per 140 sq km, which would have to be accounted for in any model that claims these are impact craters.

Greenberg, R.↗
NASA NTRS1997

Fuel Line Based Acoustic Flame-Out Detection System

An acoustic flame-out detection system that renders a large high pressure combustor safe in the event of a flame-out and possible explosive reignition. A dynamic pressure transducer is placed in the fuel and detects the stabilizing fuel pressure oscillations, caused by the combustion process. An electric circuit converts the signal from the combustion vortices, and transmitted to the fuel flow to a series of pulses. A missing pulse detector counts the pulses and continuously resets itself. If three consecutive pulses are missing, the circuit closes the fuel valve. With fuel denied the combustor is shut down or restarted under controlled conditions.

Puster, Richard L.↗
DOE OSTI2020

Learning to Count Grave Sites for Cemetery Observation Models With Satellite Imagery

Understanding how people occupy open spaces is important for research in support of population modeling, policy, national security, emergency response, and sustainability. For the past decade, there has been an increase in research toward capturing and reporting population dynamics and patterns of life at the building level and in some open public spaces such as cemeteries and parks. This is done through observation models developed from local sociocultural information acquired at various spatiotemporal scales to inform night, day, and episodic population occupancy estimates (people/1000 sq ft). Sociocultural information for cemeteries and parks is scarcely available and often collected manually. The process is not only marred by inconsistencies but is laborious and time consuming. In this study, we leverage convolutional neural networks (CNNs) and satellite imagery to derive grave site counts as proxy variables to support scalable and accurate sociocultural data required in a population observation model. Through a hybrid workflow (weak localization plus regression model), we characterize a large scale automation process to counting of grave sites. We evaluate and demonstrate the efficacy of proposed workflow using out-of-data set large satellite imagery and establish its broader impact on cemetery observation models.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Improved Quantitative Dynamic Range of Time-of-Flight Mass Spectrometry by Simultaneously Waveform-Averaging and Ion-Counting Data Acquisition

Two different types of data acquisition methods, “averaging mode” and “ion-counting mode”, have been used in a time-of-flight (TOF) mass spectrometry. The most common method is an averaging mode that sums waveform signals obtained from each flight cycle. While it is possible to process many ions arriving at the same TOF in one flight cycle, low-abundance ions are difficult to measure because ion signals are overwhelmed by noises from the detection system. An ion-counting mode is suitable for the detection of such low-concentration ions, but counting loss occurs when two or more ions arrive at the detector within the dead time of the acquisition system. In this study, we introduce a technique that combines two methods to measure target ions with a high concentration difference, i.e., averaging mode and ion-counting mode are used simultaneously for high abundant and trace ions, respectively. By processing waveforms concurrently during data acquisition, one can choose to analyze either or both types of data to achieve a highly quantitative mass spectrum over a wide range of sample concentrations. The result of the argon isotope analysis shows that this method provides a more accurate determination of the isotope ratio compared to averaging mode alone at one-twentieth of the analysis time required by ion-counting alone. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2021

A High Dynamic-Range Photon-Counting Receiver for Deep Space Optical Communication

The Deep Space Optical Communication (DSOC) project will demonstrate free-space optical communication at almost 3 AU, or 3 orders of magnitude further than any previous attempt. DSOC will utilize the 5m Palomar Hale Telescope to receive the downlink signal, which will couple the downlink light onto an optical table and into a superconducting nanowire single photon detector (SNSPD). The output of the SNSPD is digitized by the Ground Laser Receiver Signal Processing Assembly (GSPA) using a high throughput streaming time to digital converter (TDC). The GSPA is a scalable FPGA-based receiver which demodulates and decodes the DSOC downlink signal through novel signal processing algorithms implemented on Xilinx UltraScale+ FPGAs, as well as Python-based software monitor and control routines. Exploiting the unique TDC-based architecture, the GSPA supports over four orders of magnitude of downlink data rates across multiple orders of magnitude of signal and background powers. In this paper we present an overview of the hardware, firmware and software architectures to implement this system, as well as performance analysis for links ranging from near-Earth to 2.8 AU.

Srinivasan, Meera↗
DOE OSTI2015

Evolution of CMS Workload Management Towards Multicore Job Support

The successful exploitation of multicore processor architectures is a key element of the LHC distributed computing system in the coming era of the LHC Run 2. High-pileup complex-collision events represent a challenge for the traditional sequential programming in terms of memory and processing time budget. The CMS data production and processing framework is introducing the parallel execution of the reconstruction and simulation algorithms to overcome these limitations. CMS plans to execute multicore jobs while still supporting singlecore processing for other tasks difficult to parallelize, such as user analysis. The CMS strategy for job management thus aims at integrating single and multicore job scheduling across the Grid. This is accomplished by employing multicore pilots with internal dynamic partitioning of the allocated resources, capable of running payloads of various core counts simultaneously. An extensive test programme has been conducted to enable multicore scheduling with the various local batch systems available at CMS sites, with the focus on the Tier-0 and Tier-1s, responsible during 2015 of the prompt data reconstruction. Scale tests have been run to analyse the performance of this scheduling strategy and ensure an efficient use of the distributed resources. This paper presents the evolution of the CMS job management and resource provisioning systems in order to support this hybrid scheduling model, as well as its deployment and performance tests, which will enable CMS to transition to a multicore production model for the second LHC run.

Perez-Calero Yzquierdo, A.↗
DOE OSTI2025

Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of accuracy, atom count (spatial scale), and duration (temporal scale). Since the mid-2000s, computer platforms have, however, failed to provide strong scaling for MD, as scale-out central processing unit (CPU) and graphics processing unit (GPU) platforms that provide substantial increases to spatial scale do not lead to proportional increases in temporal scale. Important scientific problems therefore remained inaccessible to direct simulation, prompting the development of increasingly sophisticated algorithms that present significant complexity, accuracy, and efficiency challenges. While bespoke MD-only hardware solutions have provided a path to longer timescales for specific physical systems, their impact on the broader community has been mitigated by their limited adaptability to new methods and potentials. In this work, we show that a novel computing architecture, the Cerebras wafer scale engine, completely alters the scaling path by delivering unprecedentedly high simulation rates up to 1.144 M steps/s for 200 000 atoms whose interactions are described by an embedded atom method potential. This enables direct simulations of the evolution of materials using general-purpose programmable hardware over millisecond timescales, dramatically increasing the space of direct MD simulations that can be carried out. In this paper, we provide an overview of advances in MD over the last 60 years and present our recent result in the context of historical MD performance trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Design, development and manufacture of a breadboard radio frequency mass gauging system

The feasibility of the RF gauging mode, counting technique was demonstrated for gauging liquid hydrogen and liquid oxygen under all attitude conditions. With LH2, it was also demonstrated under dynamic fluid conditions, in which the fluid assumes ever changing positions within the tank, that the RF gauging technique on the average provides a very good indication of mass. It is significant that the distribution of the mode count data at each fill level during dynamic LH2 and LOX orientation testing does approach a statistical normal distribution. Multiple space-diversity probes provide better coupling to the resonant modes than utilization of a single probe element. The variable sweep rate generator technique provides a more uniform mode versus time distribution for processing.

Source record↗
NASA NTRS2014

Herschel/PACS Photometry of Transiting-Planet Host Stars with Candidate Warm Debris Disks

Dust in debris disks is produced by colliding or evaporating planetesimals, which are remnants of the planet formation process. Warm dust disks, known by their emission at less than or equal to 24 micrometer, are rare (4% of FGK main sequence stars) and especially interesting because they trace material in the region likely to host terrestrial planets, where the dust has a very short dynamical lifetime. Statistical analyses of the source counts of excesses as found with the mid-IR Wide Field Infrared Survey Explorer (WISE) suggest that warm-dust candidates found for the Kepler transiting-planet host-star candidates can be explained by extragalactic or galactic background emission aligned by chance with the target stars. These statistical analyses do not exclude the possibility that a given WISE excess could be due to a transient dust population associated with the target. Here we report Herschel/PACS 100 and 160 micron follow-up observations of a sample of Kepler and non-Kepler transiting-planet candidates' host stars, with candidate WISE warm debris disks, aimed at detecting a possible cold debris disk in any one of them. No clear detections were found in any one of the objects at either wavelength. Our upper limits confirm that most objects in the sample do not have a massive debris disk like that in beta Pic. We also show that the planet-hosting star WASP-33 does not have a debris disk comparable to the one around eta Crv. Although the data cannot be used to rule out rare warm disks around the Kepler planet-hosting candidates, the lack of detections and the characteristics of neighboring emission found at far-IR wavelengths support an earlier result suggesting that most of the WISE-selected IR excesses around Kepler candidate host stars are likely due to either chance alignment with background IR-bright galaxies and/or to interstellar emission.

Wide Field Infrared Survey Explorer (WISE)↗
DOE OSTI2025

Extinction Monitoring of Pulsed Proton Beams Using FPGA-Based Peak Detection

The Mu2e experiment at Fermilab imposes stringent requirements on the elimination of out-of-time beam in its pulsed proton beam - a requirement known as "extinction". We present a method to measure the out-of-time particle rates to calculate the level of extinction in the inter-pulse gaps. The proposed method utilizes an array of quartz Cherenkov radiators and photomultiplier tubes to detect particles scattered from a vacuum chamber in the M4 transfer beamline at Fermilab.The measurement will employ a new μTCA-based FPGA system for data acquisition and signal processing, utilizing real-time peak detection algorithms to count scattered beam particles. By integrating data over many transfers, the time profile of the out-of-time beam will be resolved to fractional levels relative to that of the in-time beam. These results are compared with G4beamline simulations to validate models of beam transport, dynamics, and extinction, providing critical input for optimizing beam delivery to Mu2e.

Hensley, Ryan [UC, Davis]↗
NASA NTRS2008

Safety Critical Mechanisms

Spaceflight mechanisms have a reputation for being difficult to develop and operate successfully. This reputation is well earned. Many circumstances conspire to make this so: the environments in which the mechanisms are used are extremely severe, there is usually limited or no maintenance opportunity available during operation due to this environment, the environments are difficult to replicate accurately on the ground, the expense of the mechanism development makes it impractical to build and test many units for long periods of time before use, mechanisms tend to be highly specialized and not prone to interchangeability or off-the-shelf use, they can generate and store a lot of energy, and the nature of mechanisms themselves, as a combination of structures, electronics, etc. designed to accomplish specific dynamic performance, makes them very complex and subject to many unpredictable interactions of many types. In addition to their complexities, mechanism are often counted upon to provide critical vehicle functions that can result in catastrophic events should the functions not be performed. It is for this reason that mechanisms are frequently subjected to special scrutiny in safety processes. However, a failure tolerant approach, along with good design and development practices and detailed design reviews, can be developed to allow such notoriously troublesome mechanisms to be utilized confidently in safety-critical applications.

Robertson, Brandan↗
DOE OSTI2023

Real-Time Radiological Source Term Estimation for Multiple Sources in Cluttered Environments

A particle filter algorithm is presented to estimate the position, strength, and cardinality of an unknown number of radioactive point sources in an obstacle-rich environment using count measurements. The algorithm addresses gaps in the prior literature by incorporating two novel elements. The first is a precomputation step in which local terrain and obstacle data is processed to compute attenuation kernels throughout the search area. This enables rapid estimation performance in obstacle-rich environments as measurements are gathered. The second novel feature is a dynamic particle allocation technique in which the number of particles is adjusted in real time to meet convergence goals. This feature allows the algorithm to scale more efficiently to scenarios with a larger number of sources. Furthermore, a series of computational experiments using simulated data demonstrates the algorithm’s performance in a cluttered environment with up to eight sources.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Real-Time Radiological Source Term Estimation for Multiple Sources in Cluttered Environments

A particle filter algorithm is presented to estimate the position, strength, and cardinality of an unknown number of radioactive point sources in an obstacle-rich environment using count measurements. The algorithm addresses gaps in the prior literature by incorporating two novel elements. The first is a precomputation step in which local terrain and obstacle data is processed to compute attenuation kernels throughout the search area. This enables rapid estimation performance in obstacle-rich environments as measurements are gathered. The second novel feature is a dynamic particle allocation technique in which the number of particles is adjusted in real time to meet convergence goals. This feature allows the algorithm to scale more efficiently to scenarios with a larger number of sources. A series of computational experiments using simulated data demonstrates the algorithm’s performance in a cluttered environment with up to eight sources.

Kemp, Samuel↗
DOE OSTI2026

Fragmentation dynamics of CS 2 dications and trications following S 2p ionization

Here, we present the results from a detailed study of the fragmentation dynamics of CS$_2^{2+}$ and CS$_2^{3+}$, formed in intense femtosecond soft x-ray pulses above the sulfur 2p edge, primarily through single core photoionization from the S 2p site, and subsequent Auger–Meitner decay(s). By combining three-dimensional velocity map imaging with covariance analysis, we determine the relative momenta of the ions produced in each two- and three-body fragmentation channel, at significantly higher ion count rates than conventional coincidence measurements. We shed new light on the wide range of fragmentation channels observed from the CS 2 dication and trication, including channels that involve ionization-induced bond formation and fragmentations producing undetected neutral cofragments. In the latter case, a “native frames” approach is used to isolate contributions from concerted and sequential fragmentations and extract dynamical information about each step of a concerted fragmentation process. While dications often fragment sequentially, the trication is dominated by concerted fragmentation. The main trication fragmentation channel into S + + C + + S + can be well-approximated by classical Coulombic simulations of the ground-state geometry distribution, reflecting both the nature of the trication potential energy surface and the rapid multiple ionization prior to substantial structural dynamics. This study demonstrates ways in which fundamental insights into the fragmentation dynamics of polycations following x-ray ionization may be extracted, which will be beneficial to future studies that employ time-resolved x-ray Coulomb explosion imaging to study ultrafast photochemistry.

Allum, Felix [Deutsches Elektronen-Synchrotron (DE↗
NASA NTRS1985

DE 1 RIMS operational characteristics

The Retarding Ion Mass Spectrometer (RIMS) on the Dynamics Explorer 1 spacecraft observes both the thermal and superthermal (50 eV) ions of the ionosphere and inner magnetosphere. It is capable of measuring the detailed species distribution function of these ions in many cases. It was equipped with an integral electrometer to permit in-flight calibration of the detector sensitivities and variations thereof. A guide to understanding the RIMS data set is given. The reduction process from count rates to physical quantities is discussed in some detail. The procedure used to establish in-flight calibration is described, and results of a comparison with densities from plasma wave measurements are provided. Finally, a discussion is provided of various anomalies in the data set, including changes of channeltron efficiency with time, spin modulation of the axial sensor heads, apparent potential differences between the sensor heads, and failures of the radial head retarding potential sweep and of the -Z axial head aperture plane bias. Studies of the RIMS data set should be conducted only with a thorough awareness of the material presented here, or in collaboration with one of the scientists actively involved with RIMS data analysis.

Olsen, R. C.↗
DOE OSTI2020

Streaming Data Reorganization at Scale with DeltaFS Indexed Massive Directories

We report complex storage stacks providing data compression, indexing, and analytics help leverage the massive amounts of data generated today to derive insights. It is challenging to perform this computation, however, while fully utilizing the underlying storage media. This is because, while storage servers with large core counts are widely available, single-core performance and memory bandwidth per core grow slower than the core count per die. Computational storage offers a promising solution to this problem by utilizing dedicated compute resources along the storage processing path. We present DeltaFS Indexed Massive Directories (IMDs), a new approach to computational storage. DeltaFS IMDs harvest available (i.e., not dedicated) compute, memory, and network resources on the compute nodes of an application to perform computation on data. We demonstrate the efficiency of DeltaFS IMDs by using them to dynamically reorganize the output of a real-world simulation application across 131,072 CPU cores. DeltaFS IMDs speed up reads by 1,740x while only slightly slowing down the writing of data during simulation I/O for in situ data processing.

97 MATHEMATICS AND COMPUTING↗