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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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At least 991 records · Page 55

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research

Protein-ligand docking is an in silico tool used to screen potential drug compounds for their ability to bind to a given protein receptor within a drug-discovery campaign. Experimental drug screening is expensive and time consuming, and it is desirable to carry out large scale docking calculations in a high-throughput manner to narrow the experimental search space. Few of the existing computational docking tools were designed with high performance computing in mind. Therefore, optimizations to maximize use of high-performance computational resources available at leadership-class computing facilities enables these facilities to be leveraged for drug discovery. Here we present the porting, optimization, and validation of the AutoDock-GPU program for the Summit supercomputer, and its application to initial compound screening efforts to target proteins of the SARS-CoV-2 virus responsible for the current COVID-19 pandemic.

LeGrand, Scott↗

Application of Convolutional and Feedforward Neural Networks for Fault Detection in Particle Accelerator Power Systems

High voltage converter modulators (HVCM) provide power to the accelerating cavities of the spallation neutron source (SNS) facility. HVCM experience catastrophic failures, which increase the downtime of the SNS and reduce beam time. The faults may occur due to different reasons including failures of the resonant capacitor, core saturation due to the magnetic flux, insulated-gate bipolar transistor (IGBT) failures, and others. We recently have setup a HVCM test stand to develop and test machine learning models for anomaly detection and fault prognostics. In this work, we propose binary classifiers and autoencoder architectures based on convolutional (CNN) and feedforward neural networks (FNN) to facilitate distinguishing normal from faulty waveforms coming from the HVCM during operation. The results indicate that the CNN binary classifier is the best model among the four showing very stable performance in the training and testing sets with impressive metrics of precision and recall reaching up to 99\% with a very small uncertainty. The FNN classifier shows the least performance with a large uncertainty in its metrics. The performances of the two autoencoders based on CNN and FNN were in between, showing very good performance nonetheless.

Radaideh, Majdi↗

Application of ERTS-1 multispectral imagery to monitoring the present episode of accelerated erosion in southern Arizona

An episode of accelerated arroyo-cutting and sheet erosion commenced about 1890 in southern Arizona, following several thousand years of generally sluggish erosion. For a 17,000-square-mile study area, ERTS-1 images, supplemented by ultrahigh-altitude (U-2 and RB-57) airphotos, are proving effective for producing the first comprehensive maps showing the distribution and seriousness of the post-1890 erosion features, for monitoring new erosion changes, and for assessing the effectiveness of ameliorative measures. Such data are essential for understanding and controlling the accelerated erosion, a key environmental problem in this region.

Morrison, R. B.↗

Application of Skylab EREP photographs to study of the modern episode of accelerated erosion in southern Arizona

The author has identified the following significant results. Indexing and analysis of the SL 2, SL 3, and SL 4 photos of the project area has shown that S-190A coverage with less than 30% clouds totals about 123,000 sq km. The 70-mm unenlarged color, color-infrared, B/W red, and B/W green bands from S-190A are of good to excellent quality; the B/W IR bands from SL 2 are excessively grainy and have very low resolution; those from SL 3 are better but nevertheless have low resolution. The 5-inch unenlarged color transparencies from S-190B are generally of excellent photographic quality. However, where cloud cover is extensive, commonly the S-190A and S-190B color and color-IR photos are correctly exposed for the clouds but considerably underexposed for the ground. The 4X enlargements of all bands of S-190A photos taken by SL 2 are much fuzzier than they should be; evidently the enlarger was not focused properly. The 4X enlargements from SL 3 are much superior.

Morrison, R. B.↗

Doubling the critical current density in superconducting FeSe 0.5 Te 0.5 thin films by low temperature oxygen annealing

Iron chalcogenide superconducting thin films and coated conductors are attractive for potential high field applications at liquid helium temperature for their high critical current densities J c , low anisotropies, and relatively strong grain couplings. Embedding flux pinning defects is a general approach to increase the in-field performance of superconductors. However, many effective pinning defects can adversely affect the zero field or self-field J c , particularly in cuprate high temperature superconductors. Here, we report the doubling of the self-field J c in FeSe 0.5 Te 0.5 films by low temperature oxygen annealing, reaching ~3 MA/cm 2 . In-field performance is also dramatically enhanced. In conclusion, our results demonstrate that low temperature oxygen annealing is a simple and cost-efficient post-treatment technique which can greatly help to accelerate the potential high field applications of the iron-based superconductors.

36 MATERIALS SCIENCE↗

The applicability of MFD thrusters to satellite power systems

The high power self field MPD thruster uses electromagnetic forces rather than electrostatic to accelerate a neutral plasma. The most attractive application of MPD thrusters to satellite power systems is in the area of electric propulsion for a cargo orbit transfer vehicle (COTV). Calculations were performed in order to compare the performance of a COTV using an ion or MPD propulsion system. Results show that the MPD propulsion system gives a shorter trip time with the same power and payload when compared to the ion thruster propulsion system at either value of specific impulse. More important than the trip time benefit may be the advantage a MPD propulsion system provides in system simplicity. Another interesting COTV concept using MPD thrusters is the use of a remote power supply located on the Earth, at GEO, or somewhere in between to transmit power to the COTV in a microwave transmission. The specific impulse at thrust levels of tens of newtons makes a MPD propulsion system a candidate for stationkeeping and attitude control of large space structures such as a SPS.

Jones, R. M.↗

The NIH Somatic Cell Genome Editing program

The move from reading to writing the human genome offers new opportunities to improve human health. The United States National Institutes of Health (NIH) Somatic Cell Genome Editing (SCGE) Consortium aims to accelerate the development of safer and more-effective methods to edit the genomes of disease-relevant somatic cells in patients, even in tissues that are difficult to reach. Here we discuss the consortium’s plans to develop and benchmark approaches to induce and measure genome modifications, and to define downstream functional consequences of genome editing within human cells. Central to this effort is a rigorous and innovative approach that requires validation of the technology through third-party testing in small and large animals. New genome editors, delivery technologies and methods for tracking edited cells in vivo, as well as newly developed animal models and human biological systems, will be assembled—along with validated datasets—into an SCGE Toolkit, which will be disseminated widely to the biomedical research community. We visualize this toolkit—and the knowledge generated by its applications—as a means to accelerate the clinical development of new therapies for a wide range of conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Demonstration of waferscale voltage amplifier and electrostatic quadrupole focusing array for compact linear accelerators

Compact linear accelerators, with beam energies in the kiloelectron volt to megaelectron volt range, have applications in medicine, neutron/X-ray generation, surface modifications, etc. The size, weight, and power of existing accelerators preclude them from mass availability in portable formats. This paper presents a specific implementation of an ion accelerator architecture based on planar wafers with accelerating and focusing sections. Our low cost approach allows the control of the final ion beam energy with potential applications, for example, for accelerator-based ion implantation. In this paper, we demonstrate two important waferscale modules required to build a linear particle accelerator; these include (1) on-wafer voltage amplification for beam acceleration using Inductor-Capacitor (LC) resonators and (2) waferscale electrostatic quadrupole arrays (ESQA) to refocus the ion beams during transport. On-board LC resonators were developed using Printed Circuit Board fabrication processes to implement an LC element resonant at ~ 16.6 MHz with a quality factor of 25. An energy gain of ~ 250 eV was observed using a two wafer acceleration unit with an argon ion beam with 6.5 keV initial energy. A 3 × 3 ESQA was fabricated on a glass wafer with metal electrodes formed by depositing copper metal around the beam apertures. The ESQA was used to focus and defocus an argon ion beam, demonstrating a field gradient of ~ 500 V over a gap of ~ 250 μm.

43 PARTICLE ACCELERATORS↗

Review of highly charged heavy ion production with electron cyclotron resonance ion source (invited)

The electron cyclotron resonance ion source (ECRIS) plays an important role in the advancement of heavy ion accelerators and other ion beam applications worldwide, thanks to its remarkable ability to produce a great variety of intense highly charged heavy ion beams. Great efforts over the past decade have led to significant ECRIS performance improvements in both the beam intensity and quality. A number of high-performance ECRISs have been built and are in daily operation or are under construction to meet the continuously increasing demand. In addition, comprehension of the detailed and complex physical processes in high-charge-state ECR plasmas has been enhanced experimentally and theoretically. This review covers and discusses the key components, leading-edge developments, and enhanced ECRIS performance in the production of highly charged heavy ion beams.

43 PARTICLE ACCELERATORS↗

Coherent high-power RF wakefield generation by electron bunch trains in a metamaterial structure

In this paper, we present an experimental study of coherent high-power wakefield generation in a metamaterial (MTM) structure at 11.7 GHz by 65 MeV electron bunch trains at the Argonne Wakefield Accelerator (AWA), following a previous experiment, the Stage-I experiment, at the AWA. Both the Stage-II experiment, reported in this paper, and the Stage-I experiment were conducted using MTM structures, which are all-metal periodic structures with the period being much smaller than the wavelength. Differences between the two experiments include (1) structure length (Stage-I 8 cm and Stage-II 20 cm); (2) number of bunches used to excite the structure (Stage-I with two bunches, up to 85 nC of total charge; Stage-II with eight bunches, up to 224 nC of total charge); and (3) highest peak power measured (Stage-I 80 MW in a 2 ns pulse and Stage-II 380 MW in a 10 ns pulse). High-power radio frequency pulses were generated by reversed Cherenkov radiation of the electron beam due to the negative group velocity in the MTM structures. Because the radiation is coherent, a train of bunches with a proper spacing can build up to achieve a high peak power. The observed output power levels are very promising for future applications in direct collinear wakefield acceleration or in transfer to a second accelerator for two-beam acceleration.

36 MATERIALS SCIENCE↗

Compact scalable nanofiber mass production using electrospinning

A low power out put high voltage power supply unit for mass producing thicker nanofiber mat has been built in-house and earned a provisional patent last year. This nanofiber fabrication unit has unique features to produce stand alone thick ceramic nanofiber for specialized application such as isotop production and accelerator targets for high energy physics experiments. This is a versatile unit which can produce wide variety of polymer nanofibers on a semi industrial scale for application in air filtration, face mask, facial beauty pads, gas sensors and many more.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Residual loss due to magnetic flux trapping in niobium superconducting microwave cavities

One of the significant source of radio frequency loss in superconducting microwave cavities is the trapped residual magnetic field during the cooldown due to the incomplete Messier effect. The sensitivity of flux trapping depends on the distribution of impurities, network of dislocations and defects which pin vortices. Recent advancement in cavity processing techniques resulted in very high quality factors with impurity doping, however the rf loss related to the flux trapping increases. High quality factor in SRF cavities is not only limited to particle accelerators but also emerging as an application to quantum computing and quantum information science. In this presentation, we present the results of measurements of flux trapping sensitivity on several 1.3 GHz elliptical accelerating cavities with different grain size, impurity content and surface preparations.

Dhakal, P.↗

Extending NASA Research Results to Benefit Society: Rapid Prototyping for Coastal Applications

The mission of the NASA Applied Sciences Program is to expand and accelerate the use of NASA research results to benefit society in 12 application areas of national priority. ONe of the program's major challenges is to perform a quick, efficient, and detailed review (i.e., prototyping) of the large number of combinations of NASA observations and results from Earth system models that may be used by a wide range of decision support tools. A Rapid Prototyping Capacity (RPC) is being developed to accelerate the use of NASA research results. Here, we present the conceptual framework of the Rapid Prototyping Capacity within the context of quickly assessing the efficacy of NASA research results and technologies to support the Coastal Management application. An initial RPC project designed to quickly evaluate the utility of moderate-resolution MODIS products for calibrating/validating coastal sediment transport models is also presented.

Glorioso, Mark V.↗

Maximum thrust mode evaluation

Measured reductions in acceleration times which resulted from the application of the F-15 performance seeking control (PSC) maximum thrust mode during the dual-engine test phase is presented as a function of power setting and flight condition. Data were collected at altitudes of 30,000 and 45,000 feet at military and maximum afterburning power settings. The time savings for the supersonic acceleration is less than at subsonic Mach numbers because of the increased modeling and control complexity. In addition, the propulsion system was designed to be optimized at the mid supersonic Mach number range. Recall that even though the engine is at maximum afterburner, PSC does not trim the afterburner for the maximum thrust mode. Subsonically at military power, time to accelerate from Mach 0.6 to 0.95 was cut by between 6 and 8 percent with a single engine application of PSC, and over 14 percent when both engines were optimized. At maximum afterburner, the level of thrust increases were similar in magnitude to the military power results, but because of higher thrust levels at maximum afterburner and higher aircraft drag at supersonic Mach numbers the percentage thrust increase and time to accelerate was less than for the supersonic accelerations. Savings in time to accelerate supersonically at maximum afterburner ranged from 4 to 7 percent. In general, the maximum thrust mode has performed well, demonstrating significant thrust increases at military and maximum afterburner power. Increases of up to 15 percent at typical combat-type flight conditions were identified. Thrust increases of this magnitude could be useful in a combat situation.

Orme, John S.↗

Integration of Ultrawide Bandgap Photoconducting Semiconductor Switches into High-Voltage, High-Current Pulser Systems

In this feasibility study we will evaluate the viability of integrating ultrawide bandgap (UWBG) photoconducting semiconductor switches (PCSS) in high-voltage pulser systems capable of driving low-impedance dynamic loads critical for next-generation accelerator and RF-source applications. The project consisted of developing modelling tools that would inform design of UWBG PCSS packages that could be mounted onto conventional circuit boards. Specifically, we are interested in evaluating the following through simulation software: (1) resistance to electrical breakdown (2) proximity effects due to high-frequency skin effect (3) transient behavior from switching (4) effective transmission of RF signals (5) thermal dynamics of the switch under operation (6) sensitivity to inhomogeneities in optical excitation of the material (7) cross-talk effects from parallel switching structures, and (8) susceptibility of system to damaged components. The project resulted in the development of a special-purpose circuit code that implements photoconductivity physics. This code was used to evaluate objectives 1-6 above, identifying a critical requirement associated with the need for fine control of dopant concentrations in the UWBG material to reach an optimal solution for voltage standoff and laser light responsivity requirements. In addition, we identified that the temperature dependence of the electrical conductivity of this material was typically not well-measured and developed a platform for measuring both the “dark” and “illuminated” conductivity on real physical switches in the lab to better inform our models.

24 POWER TRANSMISSION AND DISTRIBUTION↗

FastML Science Benchmarks: Accelerating Real-Time Scientific Edge Machine Learning

Applications of machine learning (ML) are growing by the day for many unique and challenging scientific applications. However, a crucial challenge facing these applications is their need for ultra low-latency and on-detector ML capabilities. Given the slowdown in Moore's law and Dennard scaling, coupled with the rapid advances in scientific instrumentation that is resulting in growing data rates, there is a need for ultra-fast ML at the extreme edge. Fast ML at the edge is essential for reducing and filtering scientific data in real-time to accelerate science experimentation and enable more profound insights. To accelerate real-time scientific edge ML hardware and software solutions, we need well-constrained benchmark tasks with enough specifications to be generically applicable and accessible. These benchmarks can guide the design of future edge ML hardware for scientific applications capable of meeting the nanosecond and microsecond level latency requirements. To this end, we present an initial set of scientific ML benchmarks, covering a variety of ML and embedded system techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗