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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 973 records · Page 54

Binary Complex Neural Network Acceleration on FPGA

Being able to learn from complex data with phase information is imperative for many signal processing applications. Today’s real-valued deep neural networks (DNNs) have shown efficiency in latent information analysis but fall short when applied to the complex domain. Deep complex networks (DCN) , in contrast, can learn from complex data, but have high computational costs; therefore, they cannot satisfy the instant decision making requirements of many deployable systems dealing with short observations or short signal bursts. Recent, Binarized Complex Neural Network (BCNN), which integrates DCNs with binarized neural networks (BNN), shows great potential in classifying complex data in real-time. In this paper, we propose a structural pruning based accelerator of BCNN, which is able to provide more than 5000 frames/s inference throughput on edge devices. The high performance comes from both the algorithm and hardware sides. On the algorithm side, we conduct structural pruning to the original BCNN models and obtain 20 × pruning rates with negligible accuracy loss; on the hardware side, we propose a novel 2D convolution operation accelerator for the binary complex neural network. Experimental results show that the proposed design works with over 90% utilization and is able to achieve the inference throughput of 5882 frames/s and 4938 frames/s for complex NIN-Net and ResNet-18 using CIFAR-10 dataset and Alveo U280 Board.

Peng, Hongwu↗

Spectral and Spatial Properties of Amplified Radiation in High Gain Tapering Enhanced Stimulated Super-radiant Amplification Regime (Technical Report)

There is a wide convergence of scientific and industrial interests in understanding the physics of high efficiency conversion of relativistic electron beam power into coherent radiation. Improved understanding would open the door to ultrahigh intensity X-ray laser pulses (single shot coherent imaging and Schwingerfield physics), as well as at longer wavelength for fast throughput material processing (EUV-lithography). Modern particle accelerators can be extremely efficient (approaching 50 %) in terms of wall-plug energy use. State-of-the-art light sources on the other hand do not take advantage of all the available power and most of it is left in the beam and simply wasted on the beam dump. This proposal aimed at developing a program based on Tapered Enhanced Stimulated Superradiant Amplification to address the current limitation in electron-based coherent radiation generation exploiting the progress in high brightness beam generation and strong coupling with the electromagnetic field in a strongly tapered undulator system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Additive Manufacturing of Fuel Injectors

Additive manufacturing (AM), also known as 3D-printing, has been shifting from a novelty prototyping paradigm to a legitimate manufacturing tool capable of creating components for highly complex engineered products. An emerging AM technology for producing metal parts is the laser powder bed fusion (L-PBF) process; however, industry manufacturing specifications and component design practices for L-PBF have not yet been established. Solar Turbines Incorporated (Solar), an industrial gas turbine manufacturer, has been evaluating AM technology for development and production applications with the desire to enable accelerated product development cycle times, overall turbine efficiency improvements, and supply chain flexibility relative to conventional manufacturing processes (casting, brazing, welding). Accordingly, Solar teamed with EWI on a joint two-and-a-half-year project with the goal of developing a production L-PBF AM process capable of consistently producing high-nickel alloy material suitable for high temperature gas turbine engine fuel injector components. The project plan tasks were designed to understand the interaction of the process variables and their combined impact on the resultant AM material quality. The composition of the high-nickel alloy powders selected for this program met the conventional cast Hastelloy X compositional limits and were commercially available in different particle size distributions (PSD) from two suppliers. Solar produced all the test articles and both EWI and Solar shared responsibility for analyzing them. The effects of powder metal input stock, laser parameters, heat treatments, and post-finishing methods were evaluated. This process knowledge was then used to generate tensile, fatigue, and creep material properties data curves suitable for component design activities. The key process controls for ensuring consistent material properties were documented in AM powder and process specifications. The basic components of the project were: • Powder metal input stock: Powder characterization, dimensional accuracy, metallurgical characterization, and mechanical properties evaluation. • Process parameters: Laser parameter effects, post-printing heat-treatment development, mechanical properties evaluation, and post-finishing technique. • Material design curves: Room and elevated temperature tensiles, low cycle fatigue, and creep rupture properties curves generated. • AM specifications: Key metal powder characteristics, laser parameters, and heat-treatment controls identified.

36 MATERIALS SCIENCE↗

Hypervelocity Impact Studies on Solar Cell Modules

Space environmental effects have caused severe problems as satellites move toward increased power and operating voltage levels. The greatest unknown, however, is the effect of high velocity micrometeoroid impacts on high voltage arrays (>200V). Understanding such impact phenomena is necessary for the design of future reliable, high voltage solar arrays, especially for Space Solar Power applications. Therefore, the objective of this work was to study the effect of hypervelocity impacts on high voltage solar arrays. Initially, state of the art, 18% efficient GaAs solar cell strings were targeted. The maximum bias voltage on a two-cell string was -200 V while the adjacent string was held at -140 V relative to the plasma potential. A hollow cathode device provided the plasma. Soda lime glass particles 40-120 micrometers in diameter were accelerated in the Hypervelocity Impact Facility to velocities as high as 11.6 km/sec. Coordinates and velocity were obtained for each of the approximately 40 particle impact sites on each shot. Arcing did occur, and both discharging and recharging of arcs between the two strings was observed. The recharging phenomena appeared to stop at approximately 66V string differential. No arcing was observed at 400 V on concentrator cell modules for the Stretched Lens Array.

Brandhorst, Henry W., Jr.↗

Optimization of the Second Target Station cold source moderators using an automated workflow

The Second Target Station (STS) at the US Department of Energy’s Oak Ridge National Laboratory is designed to become the world’s highest peak-brightness spallation source of cold neutrons. Successful completion of the STS, which is currently in the preliminary design phase, will provide transformative new capabilities to examine novel materials for future technologies. At STS, neutrons will be generated by spallation reactions in a solid tungsten target. They will be moderated and thermalized in two cold (20 K) para-hydrogen moderators. Careful optimization of these moderators is essential to the project’s success. To find optimal moderator designs, an advanced optimization workflow integrates high-fidelity neutronics calculations using the Monte Carlo N-Particle (MCNP) transport code MCNP6.2 with state-of-the-art optimization algorithms in the Dakota optimization toolkit. For each design iteration, a parametrized solid CAD geometry is generated in Creo and automatically converted into an unstructured mesh geometry by Attila 4MC for the neutronics calculation with MCNP. Iterations repeat until optimal designs are found. Herein this paper presents the results of a sensitivity and optimization study for the cylindrical and tube moderators. Both moderators can be optimized for maximum peak brightness, maximum time-integrated brightness, or any combination between these extremes. Maximum peak brightness is achieved by using smaller optimal dimensions of the moderators, whereas maximum time-integrated brightness is achieved by using larger dimensions. A Pareto front details the designs that optimally balance both brightness metrics. The Pareto front can be found in only 40–110 iterations with 4–5 design parameters when using the efficient global and Pareto-set optimization algorithms in Dakota. Additionally, important engineering constraints can be taken into account, such as the coupling between the cylindrical moderator radius and aluminum vessel wall thicknesses required to ensure structural integrity of the vessels. This interaction has a significant impact on the resulting optimal designs. Our new, highly efficient, fully automated optimization workflow will be used to optimize additional STS components in the future and can be adopted for design and optimization studies at other experimental neutron and accelerator facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution

Ensemble-average sampling of structures from ab initio molecular dynamics (AIMD) simulations can be used to predict theoretical extended X-ray absorption fine structure (EXAFS) signals that closely match experimental spectra. However, AIMD simulations are time-consuming and resource-intensive, particularly for solvated lanthanide ions, which often form multiple nonrigid geometries with high coordination numbers. Here, to accelerate the characterization of lanthanide structures in solution, we employed the Northwest Potential Energy Surface Search Engine (NWPEsSe), an adaptive-learning global optimization algorithm, to efficiently screen first-shell structures. As case studies, we examine two systems: Eu(NO 3 ) 3 dissolved in acetonitrile with a terpyridine ligand (terpyNO 2 ), and Nd(NO 3 ) 3 dissolved in acetonitrile. The theoretical spectra for structures identified by NWPEsSe were compared to both experimental and AIMD-derived EXAFS spectra. The NWPEsSe algorithm successfully identified the proper solvation structure for both Eu(NO 3 ) 3 (terpyNO 2 ) and Nd(NO 3 )(acetonitrile) 3 , with the calculated EXAFS signals closely matching the experimental spectra for the Eu-ligand complex and showing good similarity for the Nd salt; the better agreement with the ligand-containing structure is attributed to a less dynamic coordination environment due to the rigid ligand. The key advantage of the global optimization algorithm lies in its ability to sample the coordination environment across the potential energy surface and reduce the time required to identify structures from generally a month to within a week. Additionally, this approach is versatile and can be adapted to characterize main-group metal complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-throughput computation of electric polarization in solids via Berry flux diagonalization

Electric polarization in the absence of an externally applied electric field is a key property of polar materials, but the standard interpolation-based ab initio approach to compute polarization differences within the modern theory of polarization presents challenges for automated high-throughput calculations. Berry flux diagonalization [J. Bonini et al., Phys. Rev. B 102, 045141 (2020)] has been proposed as an efficient and reliable alternative, though it has yet to be widely deployed. Here, we assess Berry flux diagonalization using ab initio calculations of a large set of materials, introducing and validating heuristics that ensure branch alignment with a minimal number of intermediate interpolated structures. Our automated implementation of Berry flux diagonalization succeeds in cases where prior interpolation-based workflows fail due to band-gap closures or branch ambiguities. Benchmarking with ab initio calculations of 176 candidate ferroelectrics, we demonstrate the efficacy of the approach on a broad range of insulating materials and obtain accurate effective polarization values with fewer interpolated structures than prior automated interpolation-based workflows. Our real-space heuristics that can predict gauge stability a priori from ionic displacements enable a general automated framework for reliable polarization calculations and efficient high-throughput screening of chemically and structurally diverse polar insulators. These results establish Berry flux diagonalization as a robust and efficient method to compute the effective polarization of solids and to accelerate the data-driven discovery of functional polar materials.

Poteshman, Abigail N. [University of Chicago, IL (↗

Optimizing PtFe intermetallics for oxygen reduction reaction: from DFT screening to in situ XAFS characterization

Rational designing of catalysts to promote the sluggish kinetics of the cathode oxygen reduction reaction in proton exchange membrane fuel cells is still challenging, yet of crucial importance to its commercial application. Here, on the basis of theoretical DFT calculations which suggest that order structured fct-phased PtFe (O-PtFe) with an atomic Pt shell exhibits superior electrocatalytic performance towards the ORR, the desired structure was prepared by using a scalable impregnation–reduction method. The as-prepared O-PtFe delivered enhanced activity (0.68 A mg -1 Pt ) and stability (73% activity retention after 10 000 potential cycles) compared with the corresponding disordered PtFe alloy (D-PtFe) and Pt. To confirm the excellent durability, in situ X-ray absorption fine structure spectroscopy was conducted to probe the local and electronic structure changes of O-PtFe during 10 000 cycle accelerated durability testing. In conclusion, we hope that this facile synthesis method and the in situ XAFS experiment could be readily adapted to other catalyst systems, facilitating the screening of highly efficient ORR catalysts for fuel cell application.

36 MATERIALS SCIENCE↗

THE CRAB NEBULA SUPER-FLARE IN 2011 APRIL: EXTREMELY FAST PARTICLE ACCELERATION AND GAMMA-RAY EMISSION

We report on the extremely intense and fast gamma-ray flare above 100 MeV detected by AGILE from the Crab Nebula in mid-April 2011. This event is the fourth of a sequence of reported major gamma-ray flares produced by the Crab Nebula in the period 2007/mid-2011. These events are attributed to strong radiative and plasma instabilities in the inner Crab Nebula, and their properties are crucial for theoretical studies of fast and efficient particle acceleration up to 10{sup 15} eV. Here we study the very rapid flux and spectral evolution of the event that on 2011 April 16 reached the record-high peak flux of F = (26 {+-} 5) x 10{sup -6} photons cm{sup -2} s{sup -1} with a rise-time timescale that we determine to be in the range 6-10 hr. The peak flaring gamma-ray spectrum reaches a distinct maximum near 500 MeV with no substantial emission above 1 GeV. The very rapid rise time and overall evolution of the Crab Nebula flare strongly constrain the acceleration mechanisms and challenge MHD models. We briefly discuss the theoretical implications of our observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Efficient Probabilistic Visualization of Local Divergence of 2D Vector Fields with Independent Gaussian Uncertainty

This work focuses on visualizing uncertainty of local divergence of two-dimensional vector fields. Divergence is one of the fundamental attributes of fluid flows, as it can help domain scientists analyze potential positions of sources (positive divergence) and sinks (negative divergence) in the flow. However, uncertainty inherent in vector field data can lead to erroneous divergence computations, adversely impacting downstream analysis. While Monte Carlo (MC) sampling is a classical approach for estimating divergence uncertainty, it suffers from slow convergence and poor scalability with increasing data size and sample counts. Thus, we present a two-fold contribution that tackles the challenges of slow convergence and limited scalability of the MC approach. (1) We derive a closed-form approach for highly efficient and accurate uncertainty visualization of local divergence, assuming independently Gaussian-distributed vector uncertainties. (2) We further integrate our approach into Viskores, a platform-portable parallel library, to accelerate uncertainty visualization. In our results, we demonstrate significantly enhanced efficiency and accuracy of our serial analytical (speed-up up to 1946×) and parallel Viskores (speed-up up to 19698×) algorithms over the classical serial MC approach. We also demonstrate qualitative improvements of our probabilistic divergence visualizations over traditional mean-field visualization, which disregards uncertainty. We validate the accuracy and efficiency of our methods on wind forecast and ocean simulation datasets.

Ouermi, Timbwaoga [University of Utah]↗

Final Report, DOE Early Career Award: Predictive modeling of complex physical systems: new tools for statistical inference, uncertainty quantification, and experimental design

Predictive simulation of complex physical systems increasingly rests on the interplay of experimental observations with computational models. Key inputs, parameters, or structural aspects of models may be incomplete or unknown, and must be developed from indirect and limited observations. At the same time, quantified uncertainties are needed to qualify computational predictions in the support of design and decision-making. In this context, Bayesian statistics provides a foundation for inference from noisy and limited data, but at prohibitive computional expense. This project intends to make rigorous predictive modeling *feasible* in complex physical systems, via accelerated and scalable tools for uncertainty quantification, Bayesian inference, and experimental design. Specific objectives are as follows: 1. Develop adaptive posterior approximations and dimensionality reduction approaches for Bayesian inference in high-dimensional nonlinear systems. 2. Extend accelerated Bayesian methodologies to large-scale {\em sequential} data assimilation, fully treating nonlinear models and non-Gaussian state and parameter distributions. 3. Devise efficient surrogate-based methods for Bayesian model selection and the learning of model structure. 4. Develop scalable simulation/optimization approaches to nonlinear Bayesian experimental design, for both parameter inference and model selection. 5. Demonstrate these inferential tools on chemical kinetic models in reacting flow, constructing and refining thermochemical and electrochemical models from limited data. Demonstrate Bayesian filtering on canonical stochastic PDEs and in the dynamic estimation of inhomogeneous subsurface properties and flow fields.

97 MATHEMATICS AND COMPUTING↗

Why Is Improvement of Earth System Models so Elusive? Challenges and Strategies from Dust Aerosol Modeling

Past decades have seen an accelerating increase in computing efficiency, while climate models are representing a rapidly widening set of physical processes. Yet simulations of some fundamental aspects of climate like precipitation or aerosol forcing remain highly uncertain and resistant to progress. Dust aerosol modeling of soil particles lofted by wind erosion has seen a similar conflict between increasing model sophistication and remaining uncertainty. Dust aerosols perturb the energy and water cycles by scattering radiation and acting as ice nuclei, while mediating atmospheric chemistry and marine photosynthesis (and thus the carbon cycle). These effects take place across scales from the dimensions of an ice crystal to the planetary-scale circulation that disperses dust far downwind of its parent soil. Representing this range leads to several modeling challenges. Should we limit complexity in our model, which consumes computer resources and inhibits interpretation? How do we decide if a process involving dust is worthy of inclusion within our model? Can we identify a minimal representation of a complex process that is efficient yet retains the physics relevant to climate? Answering these questions about the appropriate degree of representation is guided by model evaluation, which presents several more challenges. How do we proceed if the available observations do not directly constrain our process of interest? (This could result from competing processes that influence the observed variable and obscure the signature of our process of interest.) Examples will be presented from dust modeling, with lessons that might be more broadly applicable. The end result will either be clinical depression or there assuring promise of continued gainful employment as the community confronts these challenges.

Climate models↗

Focusing particle concentrator with application to ultrafine particles

Technology is presented for the high efficiency concentration of fine and ultrafine airborne particles into a small fraction of the sampled airflow by condensational enlargement, aerodynamic focusing and flow separation. A nozzle concentrator structure including an acceleration nozzle with a flow extraction structure may be coupled to a containment vessel. The containment vessel may include a water condensation growth tube to facilitate the concentration of ultrafine particles. The containment vessel may further include a separate carrier flow introduced at the center of the sampled flow, upstream of the acceleration nozzle of the nozzle concentrator to facilitate the separation of particle and vapor constituents.

47 OTHER INSTRUMENTATION↗

High average power ultrafast laser technologies for driving future advanced accelerators

Large scale laser facilities are needed to advance the energy frontier in high energy physics and accelerator physics. Laser plasma accelerators are core to advanced accelerator concepts aimed at reaching TeV electron electron colliders. In these facilities, intense laser pulses drive plasmas and are used to accelerate electrons to high energies in remarkably short distances. A laser plasma accelerator could in principle reach high energies with an accelerating length that is 1000 times shorter than in conventional RF based accelerators. Notionally, laser driven particle beam energies could scale beyond state of the art conventional accelerators. LPAs have produced multi GeV electron beams in about 20 cm with relative energy spread of about 2 percent, supported by highly developed laser technology. This validates key elements of the US DOE strategy for such accelerators to enable future colliders but extending best results to date to a TeV collider will require lasers with higher average power. While the per pulse energies envisioned for laser driven colliders are achievable with current lasers, low laser repetition rates limit potential collider luminosity. Applications will require rates of kHz to tens of kHz at Joules of energy and high efficiency, and a collider would require about 100 such stages, a leap from current Hz class LPAs. This represents a challenging 1000 fold increase in laser repetition rates beyond current state of the art. Here, this whitepaper describes current research and outlook for candidate laser systems as well as the accompanying broadband and high damage threshold optics needed for driving future advanced accelerators.

47 OTHER INSTRUMENTATION↗

Scaling of magnetic dissipation and particle acceleration in ABC fields

Using particle-in-cell numerical simulations with electron–positron pair plasma, we study how the efficiencies of magnetic dissipation and particle acceleration scale with the initial coherence length λ 0 in relation to the system size L of the two-dimensional ‘Arnold–Beltrami–Childress’ (ABC) magnetic field configurations. Topological constraints on the distribution of magnetic helicity in two-dimensional systems, identified earlier in relativistic force-free simulations, that prevent the high-(L/λ 0 ) configurations from reaching the Taylor state, limit the magnetic dissipation efficiency to about ϵ diss ≃60% . Here we find that the peak growth time scale of the electric energy τ E,peak scales with the characteristic value of initial Alfvén velocity β A,ini like τ E,peak ∝(λ 0 /L)β$^{–3}_{A,ini}$ . The particle energy change is decomposed into non-thermal and thermal parts, with non-thermal energy gain dominant only for high initial magnetisation. The most robust description of the non-thermal high-energy part of the particle distribution is that the power-law index is a linear function of the initial magnetic energy fraction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Beam Non-Uniformity Characterization at the SpinQuest and DarkQuest Experiments

The SpinQuest experiment, including upgrades to SpinQuest designed to increase sensitivity to dark sector searches (commonly known as DarkQuest), utilizes the high-intensity 120 GeV proton beam delivered by the Fermilab Accelerator Complex to probe the inner structure of nucleons and search for new physics beyond the Standard Model. The SpinQuest beam is extracted from the Main Injector synchrotron at Fermilab in what is known as a slow spill . The slow spill involves a complex non-linear half-integer extraction method, which results in non-uniform beam behavior. SpinQuest observes spikes of very high intensity beam which can saturate detectors and reduce trigger efficiency, significantly impacting the experiment's sensitivity. In this project we address this challenge by developing an analysis framework to characterize the beam delivered to SpinQuest. By discovering trends within each spill and by comparing thousands of spills, we can better inform the Accelerator Division and improve the slow spill extraction. We have also begun a collaboration with the Accelerator Division in order to simulate the slow spill and improve the magnet ramp process controls which will improve the uniformity of the beam. These improvements will directly enhance the physics reach of SpinQuest/DarkQuest, increasing their sensitivity to key measurements such as the Sivers function and searches for new physics.

Dolen, James William [Purdue U., Calumet] (ORCID:0↗

A Fast Mechanical Tuner for SRF Cavities

There is a particular need for fast tuners and phase shifters for advanced superconducting accelerator RF systems. The tuners based on ferrite, ferroelectric and piezo materials are commonly used. However, those methods suffer from one or another issue of high power loss, slow response, and narrow tuning range. We propose a robust, fast (up to ~5 MHz/sec), high efficient mechanical tuner for SRF cavities operating at the frequency 50 MHz. We develop an external mechanical tuner that is strongly coupled to the cavity. The tuner design represents a trade-off of high efficiency (low RF losses and low heat flux) and frequency tunability range. Our approach solves this trade-off issue. We propose RF design which exploits two coupled resonators so that a main high-field cavity is controlled with a small tunable resonator with a flexible metallic wall operating in a relatively low RF field. Simulations, carried out for a 7.5 MV/m 50 MHz SRF Quarter Wave Resonator (QWR), show that frequency tunability at level 10⁻³ is obtainable.

43 PARTICLE ACCELERATORS↗

High performance Calcium Copper Titanate/Polyimide dielectrics composites enabled through colloidal stabilization

Transition to electrified transportation demands advanced power electronic components with the capability to improve range, reliability, and cost of ownership to accelerate mass market adoption. Thus, improvement in the current designs, manufacturing processes, materials, and components capable of providing reliable and efficient operation at higher temperatures play important roles in meeting future needs. To address these challenges, this article focuses on novel dielectric materials designed to reduce the volume of the most important and bulky component of a power electronic system, a capacitor. A new composite dielectric material was developed by integrating the positive attributes of both polymer and ceramic capacitors to overcome the challenges of state-of-the-art dielectric materials. Further, the developed composite properties have been evaluated and showed promising results, achieving a dielectric constant of 250 at 100 Hz, 25°C, unseen in current literature. Additionally, these materials can function at high temperatures (>150°C) with good breakdown strength, providing promising working conditions for capacitors, especially in electric vehicle applications.

36 MATERIALS SCIENCE↗