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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An ultra-compact x-ray free-electron laser

In the field of beam physics, two frontier topics have taken center stage due to their potential to enable new approaches to discovery in a wide swath of science. These areas are: advanced, high gradient acceleration techniques, and x-ray free electron lasers (XFELs). Further, there is intense interest in the marriage of these two fields, with the goal of producing a very compact XFEL. In this context, recent advances in high gradient radio-frequency cryogenic copper structure research have opened the door to the use of surface electric fields between 250 and 500 MV m -1 . Such an approach is foreseen to enable a new generation of photoinjectors with six-dimensional beam brightness beyond the current state-of-the-art by well over an order of magnitude. This advance is an essential ingredient enabling an ultra-compact XFEL (UC-XFEL). In addition, one may accelerate these bright beams to GeV scale in less than 10 m. Such an injector, when combined with inverse free electron laser-based bunching techniques can produce multi-kA beams with unprecedented beam quality, quantified by 50 nm-rad normalized emittances. The emittance, we note, is the effective area in transverse phase space (x, p x /m e c) or (y, p y /m e c) occupied by the beam distribution, and it is relevant to achievable beam sizes as well as setting a limit on FEL wavelength. These beams, when injected into innovative, short-period (1–10 mm) undulators uniquely enable UC-XFELs having footprints consistent with university-scale laboratories. We describe the architecture and predicted performance of this novel light source, which promises photon production per pulse of a few percent of existing XFEL sources. We review implementation issues including collective beam effects, compact x-ray optics systems, and other relevant technical challenges. To illustrate the potential of such a light source to fundamentally change the current paradigm of XFELs with their limited access, we examine possible applications in biology, chemistry, materials, atomic physics, industry, and medicine—including the imaging of virus particles—which may profit from this new model of performing XFEL science.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Understanding and Estimating Error Propagation in Neural Networks for Scientific Data Analysis

Neural networks are increasingly integrated into scientific discovery, where input data reduction and model quantization play a key role in accelerating inference. However, understanding and mitigating the impact of these techniques on output error is critical for ensuring reliable results, particularly in tasks demanding high numerical precision. This paper introduces a comprehensive framework for optimizing neural network inference in scientific computing by combining data reduction and weight quantization while maintaining error-controlled outcomes. We develop theoretical analyses to bound error propagation under these reductions and propose a framework that balances computational performance with error constraints. Evaluation on real-world learning-based combustion simulations and satellite image classification demonstrates that our derived error bounds accurately predict observed errors while enabling significant computational speedup under our framework. This work highlights the potential for further leveraging advancements in modern lossy compression algorithms and hardware accelerators that support lower-precision formats.

He, Weiming [New Jersey Institute of Technology]↗
NASA NTRS2010

James Webb Space Telescope Studies of Dark Energy

The Hubble Space Telescope (HST) has contributed significantly to studies of dark energy. It was used to find the first evidence of deceleration at z=1.8 (Riess et al. 2001) through the serendipitous discovery of a type 1a supernova (SN1a) in the Hubble Deep Field. The discovery of deceleration at z greater than 1 was confirmation that the apparent acceleration at low redshift (Riess et al. 1998; Perlmutter et al. 1999) was due to dark energy rather than observational or astrophysical effects such as systematic errors, evolution in the SN1a population or intergalactic dust. The GOODS project and associated follow-up discovered 21 SN1a, expanding on this result (Riess et al. 2007). HST has also been used to constrain cosmological parameters and dark energy through weak lensing measurements in the COSMOS survey (Massey et al 2007; Schrabback et al 2009) and strong gravitational lensing with measured time delays (Suyu et al 2010). Constraints on dark energy are often parameterized as the equation of state, w = P/p. For the cosmological constant model, w = -1 at all times; other models predict a change with time, sometimes parameterized generally as w(a) or approximated as w(sub 0)+(1-a)w(sub a), where a = (1+z)(sup -1) is the scale factor of the universe relative to its current scale. Dark energy can be constrained through several measurements. Standard candles, such as SN1a, provide a direct measurement of the luminosity distance as a function of redshift, which can be converted to H(z), the change in the Hubble constant with redshift. An analysis of weak lensing in a galaxy field can be used to derive the angular-diameter distance from the weak-lensing equation and to measure the power spectrum of dark-matter halos, which constrains the growth of structure in the Universe. Baryonic acoustic oscillations (BAO), imprinted on the distribution of matter at recombination, provide a standard rod for measuring the cosmological geometry. Strong gravitational lensing of a time-variable source gives the angular diameter distance through measured time delays of multiple images. Finally, the growth of structure can also be constrained by measuring the mass of the largest galaxy clusters over cosmic time. HST has contributed to the study of dark energy through SN1a and gravitational lensing, as discussed above. HST has also helped to characterize galaxy clusters and the HST-measured constraints on the current Hubble constant H(sub 0) are relevant to the interpretation of dark energy measurements (Riess et al 2009a). HST has not been used to constrain BAO as the large number of galaxy redshifts required, of order 100 million, is poorly matched to HST's capabilities. As the successor to HST, the James Webb Space Telescope (JWST; Gardner et al 2006) will continue and extend HST's dark energy work in several ways.

Gardner, Jonathan P.↗
DOE OSTI2024

Improving the Discovery Power of the Dark Energy Survey Gravitational Wave Program in Its Fourth Observing Campaign

The universe is growing at an accelerated rate, yet the several experiments and science cases used to measure this property yield conflicting results for the rate. Known colloquially as the Hubble tension problem, this discrepancy calls for a novel measurement of the Hubble Constant, H0, in order to be resolved. The Dark Energy Survey Gravitational Wave group (DESGW) aims to relieve this tension by performing a standard sirens measurement of H0 independent of traditional methods. To do so in the current era of data abundance and limited telescope time demands a robust, optimized, and complete science software pipeline to carefully balance the transition from gravitational wave data to state-of-the-art images, images to photometric data, and photometric data to identification and analysis of electromagnetic counterparts to gravitational wave signals. This thesis details the contributions of the author to the DESGW Search & Discovery Pipeline for the fourth observing run of the LIGO/Virgo/KAGRA gravitational wave detector network, as well as the science applications that have been pursued.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Enabling discovery data science through cross-facility workflows

Experimental and observational instruments for scientific research (such as light sources, genome sequencers, accelerators, telescopes and electron microscopes) increasingly require High Performance Computing (HPC) scale capabilities for data analysis and workflow processing. Next-generation instruments are being deployed with higher resolutions and faster data capture rates, creating a big data crunch that cannot be handled by modest institutional computing resources. Often these big data analysis pipelines also require near real-time computing and have higher resilience requirements than the simulation and modeling workloads more traditionally seen at HPC centers. While some facilities have enabled workflows to run at a single HPC facility, there is a growing need to integrate capabilities across HPC facilities to enable cross-facility workflows, either to provide resilience to an experiment, increase analysis throughput capabilities, or to better match a workflow to a particular architecture. In this paper we describe the barriers to executing complex data analysis workflows across HPC facilities and propose an architectural design pattern for enabling scientific discovery using cross-facility workflows that includes orchestration services, application programming interfaces (APIs), data access and co-scheduling.

Antypas, Katerina B.↗
DOE OSTI2022

Machine Learning for the Discovery, Design, and Engineering of Materials

Machine learning (ML) has become a part of the fabric of high-throughput screening and computational discovery of materials. Despite its increasingly central role, challenges remain in fully realizing the promise of ML. This is especially true for the practical acceleration of the engineering of robust materials and the development of design strategies that surpass trial and error or high-throughput screening alone. Depending on the quantity being predicted and the experimental data available, ML can either outperform physics-based models, be used to accelerate such models, or be integrated with them to improve their performance. We cover recent advances in algorithms and in their application that are starting to make inroads toward ( a) the discovery of new materials through large-scale enumerative screening, ( b) the design of materials through identification of rules and principles that govern materials properties, and ( c) the engineering of practical materials by satisfying multiple objectives. We conclude with opportunities for further advancement to realize ML as a widespread tool for practical computational materials design.

Chemistry↗
DOE OSTI2022

Irradiation Facilities and Irradiation Methods for High Power Target

High Power Target systems are key elements in future neutrino and other rare particle production in accelerators. These systems transform an intense source of protons into secondary particles of interest to enable new scientific discoveries. As beam intensity and energies increase, target systems face significant challenges. Radiation damages and thermal shocks in target materials were identified as the leading cross-cutting challenges of high-power target facilities. Target material R&D to address these challenges are essential to enable and ensure reliable operation of future-generation accelerators. Irradiation facilities and alternative methods are critical to provide a full support of material R&D and better address these critical challenges.

43 PARTICLE ACCELERATORS↗
NASA NTRS1996

New observational facts about particle acceleration and transport during solar flares

Extensive hard X-ray (HXR)/gamma-ray (GR) observations of solar flares, performed during solar cycles 21 and 22 have led to important new discoveries. These data, combined with observations obtained in other parts of the electromagnetic spectrum (soft X-ray, Hard X-ray, optical, and radio) largley contributed to get a better understanding and to develop new ideas on particle acceleration and transport during solar flares. This review presents new observational facts relevant to hard X-ray/gamma-ray producing flares. Among these are the frequent presence of sub-second time structure in the hard X-ray emission, the variability in hard X-ray and radio spatial distributions during a flare and from flare to flare, the evidence for strong gamma-ray line emission from the Corona and the existence of extended phases of the gamma-ray emission lasting for several hours after the flare onset. This ensemble of observations indicates that particle acceleration takes place at different sites in a complex and dynamic magnetic field environment.

Trottel, G.↗
DOE OSTI2021

Modeling laser-driven ion acceleration with deep learning

Developments in machine learning promise to ameliorate some of the challenges of modeling complex physical systems through neural-network-based surrogate models. High-intensity, short-pulse lasers can be used to accelerate ions to mega-electronvolt energies, but to model such interactions requires computationally expensive techniques such as particle-in-cell simulations. Multilayer neural networks allow one to take a relatively sparse ensemble of simulations and generate a surrogate model that can be used to rapidly search the parameter space of interest. In this study, we created an ensemble of over 1,000 simulations modeling laser-driven ion acceleration and developed a surrogate to study the resulting parameter space. A neural-network-based approach allows for rapid feature discovery not possible for traditional parameter scans given the computational cost. A notable observation made during this study was the dependence of ion energy on the pre-plasma gradient length scale. While this methodology harbors great promise for ion acceleration, it has ready application to all topics in which large-scale parameter scans are restricted by significant computational cost or relatively large, but sparse, domains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Detecting Thermally-Induced Spinodal Decomposition with Picosecond Ultrasonics in Cast Austenitic Stainless Steels

Destructive techniques to monitor nuclear reactor component health may not always be available during service, as they are time-consuming and often require pre-installed inspection coupons. Non-destructive evaluation (NDE) techniques can bridge this gap by rapidly identifying the state of mission-critical reactor components, via inference between NDE-measurable material properties and those of ultimate interest, such as ductility and toughness. Here, we demonstrate one such inference about the health of thermally aged cast austenitic stainless steels. Observations of surface acoustic wave peak (SAW) splitting correlate with spinodal decomposition-induced embrittlement as destructively measured by Charpy impact energy. Elastodynamic calculations and molecular dynamics simulations of the effects of spinodal decomposition on elastic moduli support that the new acoustic modes present are due to stiffening in the δ-ferrite domains. Finally, this discovery enables one to probe structure-property relationships in materials in a greatly accelerated manner, suggesting that similar inference methods can be used to determine material fitness-for-service, or to quickly uncover new structure-property relationships.

304-type stainless steel↗
DOE OSTI2024

A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions

New computational tools for solid-state synthesis recipe design are needed in order to accelerate the experimental realization of novel functional materials proposed by high-throughput materials discovery workflows. This work contributes a cellular automaton simulation framework for predicting the time-dependent evolution of intermediate and product phases during solid-state reactions as a function of precursor choice and amount, reaction atmosphere, and heating profile. The simulation captures the effects of reactant particle spatial distribution, particle melting, and reaction atmosphere. Reaction rates based on rudimentary kinetics are estimated using density functional theory data from the Materials Project and machine learning estimators for the melting point and the vibrational entropy component of the Gibbs free energy. The resulting simulation framework allows for the prediction of the likely outcome of a reaction recipe before any experiments are performed. We analyze five experimental solid-state recipes for BaTiO 3 , CaZrN 2 , and YMnO 3 found in the literature to illustrate the performance of the model in capturing reaction selectivity and reaction pathways as a function of temperature and precursor choice. This simulation framework offers an easier way to optimize existing recipes, aid in the identification of intermediates, and design effective recipes for yet unrealized inorganic solids in silico .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

IceCube-Gen2: the window to the extreme Universe

The observation of electromagnetic radiation from radio to γ-ray wavelengths has provided a wealth of information about the Universe. However, at PeV (10 15 eV) energies and above, most of the Universe is impenetrable to photons. New messengers, namely cosmic neutrinos, are needed to explore the most extreme environments of the Universe where black holes, neutron stars, and stellar explosions transform gravitational energy into non-thermal cosmic rays. These energetic particles havemillions of times higher energies than those produced in the most powerful particle accelerators on Earth. As neutrinos can escape from regions otherwise opaque to radiation, they allow an unique view deep into exploding stars and the vicinity of the event horizons of black holes. The discovery of cosmic neutrinos with IceCube has opened this new window on the Universe. IceCube has been successful in finding first evidence for cosmic particle acceleration in the jet of an active galactic nucleus. Yet, ultimately, its sensitivity is too limited to detect even the brightest neutrino sources with high significance, or to detect populations of less luminous sources. In thiswhite paper, we present an overview of a next-generation instrument, IceCube-Gen2, which will sharpen our understanding of the processes and environments that govern the Universe at the highest energies. IceCube-Gen2 is designed to: (a) Resolve the high-energy neutrino sky from TeV to EeV energies (b) Investigate cosmic particle acceleration through multi-messenger observations (c) Reveal the sources and propagation of the highest energy particles in the Universe (d) Probe fundamental physics with high-energy neutrinos IceCube-Gen2 will enhance the existing IceCube detector at the South Pole. It will increase the annual rate of observed cosmic neutrinos by a factor of ten compared to IceCube, and will be able to detect sources five times fainter than its predecessor. Furthermore, through the addition of a radio array, IceCube- Gen2 will extend the energy range by several orders of magnitude compared to IceCube. Construction will take 8 years and cost about $350M. The goal is to have IceCube-Gen2 fully operational by 2033. IceCube-Gen2 will play an essential role in shaping the new era of multimessenger astronomy, fundamentally advancing our knowledge of the highenergy Universe. Overall, this challenging mission can be fully addressed only through the combination of the information from the neutrino, electromagnetic, and gravitational wave emission of high-energy sources, in concert with the new survey instruments across the electromagnetic spectrum and gravitational wave detectors which will be available in the coming years.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Computational approaches to Coherent Synchrotron Radiation in two and three dimensions

Coherent Synchrotron Radiation (CSR) is an important and often detrimental effect in particle accelerators. While one-dimensional models have been successfully used to design and explain the behavior of modern machines, questions remain about their domain of validity. In recent years, two- and three-dimensional models have been developed that are amenable to efficient numerical computation. This article gives an overview of CSR computation from its discovery through the present state of the art.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

CryoDRGN-AI: neural ab initio reconstruction of challenging cryo-EM and cryo-ET datasets

Proteins and other biomolecules form dynamic macromolecular machines that are tightly orchestrated to move, bind, and perform chemistry. Cryo-electron microscopy (cryo-EM) and cryo-electron tomography (cryo-ET) can access the intrinsic heterogeneity of these complexes and are therefore key tools for understanding their function. However, 3D reconstruction of the collected imaging data presents a challenging computational problem, especially without any starting information, a setting termed ab initio reconstruction. Here, in this study, we introduce cryoDRGN-AI, a method leveraging an expressive neural representation and combining an exhaustive search strategy with gradient-based optimization to process challenging heterogeneous datasets. Using cryoDRGN-AI, we reveal new conformational states in large datasets, reconstruct previously unresolved motions from unfiltered datasets, and demonstrate ab initio reconstruction of biomolecular complexes from in situ data. With this expressive and scalable model for structure determination, we hope to unlock the full potential of cryo-EM and cryo-ET as a high-throughput tool for structural biology and discovery.

Levy, Axel [Stanford Univ., CA (United States); SL↗
NASA NTRS1993

CERN-derived analysis of lunar radiation backgrounds

The Moon produces radiation which background-limits scientific experiments there. Early analyses of these backgrounds have either failed to take into consideration the effect of charm in particle physics (because they pre-dated its discovery), or have used branching ratios which are no longer strictly valid (due to new accelerator data). We are presently investigating an analytical program for deriving muon and neutrino spectra generated by the Moon, converting an existing CERN computer program known as GEANT which does the same for the Earth. In so doing, this will (1) determine an accurate prompt neutrino spectrum produced by the lunar surface; (2) determine the lunar subsurface particle flux; (3) determine the consequence of charm production physics upon the lunar background radiation environment; and (4) provide an analytical tool for the NASA astrophysics community with which to begin an assessment of the Moon as a scientific laboratory versus its particle radiation environment. This will be done on a recurring basis with the latest experimental results of the particle data groups at Earth-based high-energy accelerators, in particular with the latest branching ratios for charmed meson decay. This will be accomplished for the first time as a full 3-dimensional simulation.

Wilson, Thomas L.↗
DOE OSTI2020

Particle physics at accelerators in the United States and Asia

Particle physics experiments in the United States and Asia have greatly contributed to the understanding of elementary particles and their interactions. With the recent discovery of the Higgs boson at CERN, interest in the development of next-generation colliders has been rekindled. A linear electron–positron collider in Japan and a circular collider in China have been proposed for precision studies of the Higgs boson. In addition to the Higgs programme, new accelerator-based long-baseline neutrino mega-facilities are being built in the United States and Japan. Here, we outline the present status of key particle physics programmes at accelerators, and future plans in the United States and Asia that largely complement approaches being explored in the European Strategy for Particle Physics Update. Furthermore, we encourage the pursuit of this global approach, reaching beyond regional boundaries for optimized development and operations of major accelerator facilities worldwide, to ensure an active and productive future of the field.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

bnl/pub-Maffettone_2020_08

The application of the XCA package as first demonstrated in aXiv:2008.00283. ABSTRACT: The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain manual, time consuming, error prone, and impossible to scale. With the advent of autonomous robotic scientists or self-driving labs, contemporary techniques prohibit the integration of XRD. Here, we describe a computer program for the autonomous characterization of XRD data, driven by artificial intelligence (AI), for the discovery of new materials. Starting from structural databases, we train an ensemble model using a physically accurate synthetic dataset, which output probabilistic classifications --- rather than absolutes --- to overcome the overconfidence in traditional neural networks. This AI agent behaves as a companion to the researcher, improving accuracy and offering unprecedented time savings, and is demonstrated on a diverse set of organic and inorganic materials challenges. This innovation is directly applicable to inverse design approaches, robotic discovery systems, and can be immediately considered for other forms of characterization such as spectroscopy and the pair distribution function.

Maffettone, PhillipM [Brookhaven National Lab. (BN↗
NASA NTRS2023

Parker Solar Probe: Four Years of Discoveries at Solar Cycle Minimum

Launched on 12 Aug. 2018, NASA’s Parker Solar Probe had completed 13 of its scheduled 24 orbits around the Sun by Nov. 2022. The mission’s primary science goal is to determine the structure and dynamics of the Sun’s coronal magnetic field, understand how the solar corona and wind are heated and accelerated, and determine what processes accelerate energetic particles. Parker Solar Probe returned a treasure trove of science data that far exceeded quality, significance, and quantity expectations, leading to a significant number of discoveries reported in nearly 700 peer-reviewed publications. The first four years of the 7-year primary mission duration have been mostly during solar minimum conditions with few major solar events. Starting with orbit 8 (i.e., 28 Apr. 2021), Parker flew through the magnetically dominated corona, i.e., sub-Alfvénic solar wind, which is one of the mission’s primary objectives. In this paper, we present an overview of the scientific advances made mainly during the first four years of the Parker Solar Probe mission, which go well beyond the three science objectives that are: (1) Trace the flow of energy that heats and accelerates the solar corona and solar wind; (2) Determine the structure and dynamics of the plasma and magnetic fields at the sources of the solar wind; and (3) Explore mechanisms that accelerate and transport energetic particles.

Sun↗