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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Co-design Framework for Online Data Analysis and Reduction

Science applications preparing for the exascale era are increasingly exploring in situ computations comprising of simulation-analysis-reduction pipelines coupled in-memory. Efficient composition and execution of such complex pipelines for a target platform is a codesign process that evaluates the impact and tradeoffs of various application- and system-specific parameters. In this article, we describe a toolset for automating performance studies of composed HPC applications that perform online data reduction and analysis. We describe Cheetah, a new framework for composing parametric studies on coupled applications, and Savanna, a runtime engine for orchestrating and executing campaigns of codesign experiments. Furthermore, this toolset facilitates understanding the impact of various factors such as process placement, synchronicity of algorithms, and storage versus compute requirements for online analysis of large data. Ultimately, we aim to create a catalog of performance results that can help scientists understand tradeoffs when designing next-generation simulations that make use of online processing techniques. We illustrate the design of Cheetah and Savanna, and present application examples that use this framework to conduct codesign studies on small clusters as well as leadership class supercomputers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Enabling power measurement and control on Astra: The first petascale Arm supercomputer

Astra, deployed in 2018, was the first petascale supercomputer to utilize processors based on the ARM instruction set. The system was also the first under Sandia's Vanguard program which seeks to provide an evaluation vehicle for novel technologies that with refinement could be utilized in demanding, large-scale HPC environments. In addition to ARM, several other important first-of-a-kind developments were used in the machine, including new approaches to cooling the datacenter and machine. Here we document our experiences building a power measurement and control infrastructure for Astra. While this is often beyond the control of users today, the accurate measurement, cataloging, and evaluation of power, as our experiences show, is critical to the successful deployment of a large-scale platform. While such systems exist in part for other architectures, Astra required new development to support the novel Marvell ThunderX2 processor used in compute nodes. In addition to documenting the measurement of power during system bring up and for subsequent on-going routine use, we present results associated with controlling the power usage of the processor, an area which is becoming of progressively greater interest as data centers and supercomputing sites look to improve compute/energy efficiency and find additional sources for full system optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Multi-omics Resources for Understanding Gene Regulation in Response to ER Stress in Plants

Proteotoxic stress of the endoplasmic reticulum (ER) is a potentially lethal condition that ensues when the biosynthetic capacity of the ER is overwhelmed. A sophisticated and largely conserved signaling, known as the unfolded protein response (UPR), is designed to monitor and alleviate ER stress. In plants, the emerging picture of gene regulation by the UPR now appears to be more complex than ever before, requiring multi-omics-enabled network-level approaches to be untangled. In the past decade, with an increasing access and decreasing costs of next-generation sequencing (NGS) and high-throughput protein–DNA interaction (PDI) screening technologies, multitudes of global molecular measurements, known as omics, have been generated and analyzed by the research community to investigate the complex gene regulation of plant UPR. In this chapter, we present a comprehensive catalog of omics resources at different molecular levels (transcriptomes, protein–DNA interactomes, and networks) along with the introduction of key concepts in experimental and computational tools in data generation and analyses. Finally, this chapter will serve as a starting point for both experimentalists and bioinformaticians to explore diverse omics datasets for their biological questions in the plant UPR, with likely applications also in other species for conserved mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Non-decoupling new particles

We initiate the study of a new class of beyond the Standard Model states that we call “Loryons.” They have the defining characteristic of being non-decoupling, in the sense that their physical mass is dominated by a contribution from the vacuum expectation value of the Higgs boson. The stakes are high: the discovery of a Loryon would tell us that electroweak symmetry must be non-linearly realized in the effective field theory of the Standard Model. Loryons have their masses bounded from above by perturbative unitarity considerations and thus define a finite parameter space for exploration. After providing a complete catalog of Loryon representations under mild assumptions, we turn to examining the constraints on the parameter space from Higgs couplings measurements, precision electroweak tests, and direct collider searches. We show that most fermionic candidates are already ruled out (with some notable exceptions), while much of the scalar Loryon parameter space is still wide open for discovery.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Muonic force behind flavor anomalies

We develop an economical theoretical framework for combined explanations of the flavor physics anomalies involving muons: (g - 2) μ , R K(*), and b → sμ + μ - angular distributions and branching ratios, that was first initiated by some of us in ref. [1]. The Standard Model (SM) is supplemented with a lepton-flavored U(1) X gauge group. The U(1) X gauge boson with the mass of O(0.1) GeV resolves the (g - 2) μ tension. A TeV-scale leptoquark, charged under the U(1) X , carries a muon number and mediates B-decays without prompting charged lepton flavor violation or inducing proton decay. We explore the theory space of the chiral, anomaly-free U(1) X gauge extensions featuring the above scenario, and identify many suitable charge assignments for the SM+3ν R fermion content with the integer charges in the range X F i $\in$ [-10, 10]. We then carry out a comprehensive phenomenological study of the muonic force in representative benchmark models. Interestingly, we found models which can resolve the tension without conflicting the complementary constraints, and all of the viable parameter space will be tested in future muonic resonance searches. Finally, the catalog of the anomaly-free lepton-non-universal charge assignments motivated us to explore different directions in model building. We present a model in which the muon mass and the (g - 2) μ are generated radiatively from a common short-distance dynamics after the U(1) X breaking. We also show how to charge a vector leptoquark under U(1) μ-τ in a complete gauge model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dualities among massive, partially massless and shift symmetric fields on (A)dS

We catalog all the electromagnetic-like dualities that exist between free dynamical bosonic fields of arbitrary symmetry type and mass on (anti-) de Sitter space in all dimensions, including dualities among the partially massless and shift symmetric fields. This generalizes to all these field types the well known fact that a massless p-form is dual to a massless (D − p − 2)-form in D spacetime dimensions. In the process, we describe the structure of the Weyl modules (the spaces of local operators linear in the fields and their derivative relations) for all the massive, partially massless and shift symmetric fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Improved cosmological constraints on the neutrino mass and lifetime

We present cosmological constraints on the sum of neutrino masses as a function of the neutrino lifetime, in a framework in which neutrinos decay into dark radiation after becoming non-relativistic. We find that in this regime the cosmic microwave background (CMB), baryonic acoustic oscillations (BAO) and (uncalibrated) luminosity distance to supernovae from the Pantheon catalog constrain the sum of neutrino masses Σm$_{ν}$ to obey Σm$_{ν}$< 0.42 eV at (95% C.L.). While the bound has improved significantly as compared to the limits on the same scenario from Planck 2015, it still represents a significant relaxation of the constraints as compared to the stable neutrino case. We show that most of the improvement can be traced to the more precise measurements of low-ℓ polarization data in Planck 2018, which leads to tighter constraints on τ$_{reio}$ (and thereby on A$_{s}$), breaking the degeneracy arising from the effect of (large) neutrino masses on the amplitude of the CMB power spectrum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Exploring color-octet scalar parameter space in minimal R-symmetric models

In this work we study the collider phenomenology of color-octet scalars (sgluons) in minimal supersymmetric models endowed with a global continuous R symmetry. We systematically catalog the significant decay channels of scalar and pseudoscalar sgluons and identify novel features that are natural in these models. These include decays in nonstandard diboson channels, such as to a gluon and a photon; three-body decays with considerable branching fractions; and long-lived particles with displaced vertex signatures. We also discuss the single and pair production of these particles and show that they can evade existing constraints from the Large Hadron Collider, to varying extents, in large regions of reasonable parameter space. We find, for instance, that a 725 GeV scalar and a 350 GeV or lighter pseudoscalar can still be accommodated in realistic scenarios.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Enabling modern data discovery for atmospheric measurements

The Atmospheric Radiation Measurement (ARM) user facility is a US Department of Energy Office of Science user facility that is managed and operated through a collaborative effort led by nine US Department of Energy national laboratories. The ARM Data Center, located at Oak Ridge National Laboratory, is responsible for the timely collection, processing, and delivery of data products to the scientific community. The ARM Data Center holds more than 11,000 data products, including metadata collected from field campaigns, instruments, value-added products, and principal investigator–contributed data. These data sets are checked for successful transfer (for most data, this transfer is carried out automatically via the network; however, some of the largest data sets and some of the most remote sites require manual shipping of hard disks) and both the data and metadata are processed to a standard format, which is an ARM-standardized structure, via the Network Common Data Form. The Network Common Data Form is a self-describing binary format with many compatible software tools. Once processed, the data are cataloged, stored in the ARM Data Archive, and made discoverable through association with an array of metadata-characterizing information, such as location and measurement classification. These metadata enable powerful search capabilities through the ARM Data Center Data Discovery interface. This paper discusses the workflow of how the new discovery system has been redesigned from user requirements and how the data are distributed to the scientific community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Seismic source characterization of the Arabian Peninsula and Zagros Mountains from regional moment tensor and coda envelopes

Reliable estimates of moment magnitude and source mechanism for seismic events in the Middle East can be challenging due to a small number of openly available stations, the complex tectonic setting, and regions of high attenuation. Access to high-quality waveform data from well-calibrated regional seismic stations is fundamental in producing robust and stable estimates of earthquake source parameters, particularly when measurements of absolute ground motion amplitudes are required. Earthquake source mechanism and moment magnitude are invaluable information in the assessment of seismic hazard, plate motions, and the characterization of faults and regional stress field. The expansion of the Kingdom of Saudi Arabia’s national seismic network in the past several decades provides an opportunity to develop the capabilities of routine focal mechanism and moment magnitude estimations. In this study, we use time-domain full waveform moment tensor inversion and coda envelope–derived amplitude measurements to solve for earthquake source mechanism, moment magnitudes, and their source type. Furthermore, we compared the moment magnitudes calculated from the two methods and publicly available earthquake catalogs and discuss the implications of the obtained source parameters.

58 GEOSCIENCES↗
DOE OSTI2026

Westcott g factors extended to arbitrary neutron energy spectra

Westcott 𝑔 factors are used in Neutron Activation Analysis (NAA) and Prompt Gamma-ray Activation Analysis (PGAA) to evaluate the impact of non-1∕𝑣 behavior in the neutron-capture cross sections of certain nuclei on activation product yields. This non-1∕𝑣 behavior arises from the presence of neutron resonances in the neutron- capture cross sections that overlap with the source neutron spectrum at low (< 5 eV) energies. Historically, Westcott 𝑔 factors that have been cataloged for NAA and PGAA applications are the result of calculations that assume a Maxwellian neutron flux distribution with a given temperature. In this work, we use this approach with updated neutron-capture cross sections from the Evaluated Nuclear Data File, version VIII.1 (ENDF/B-VIII.1) to tabulate Westcott 𝑔 factor values for a broad range of Maxwellian distribution temperatures, comparing the results against currently-available 𝑔 factors from International Atomic Energy Agency tables and other sources. Here, it was discovered during this analysis that the use of guided thermal and cold-neutron beams at certain facilities necessitates an approach for evaluating Westcott 𝑔 factors based on arbitrary non-Maxwellian spectra. In this paper, we present an approach for calculating 𝑔 factors with user-specified neutron spectra, and we demonstrate these methods to obtain Westcott 𝑔-factors for guided- and cold-neutron beams at the Budapest Research Reactor and the Forschungsreaktor München II reactor. As part of this work, open-source software has been developed that can be used to perform these calculations for applications in PGAA and NAA experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

The state of algal genome quality and diversity

The genomic era of biology has created unprecedented opportunity to study how life works, including understanding evolutionary principles, bioprospecting for novel antibiotics, and genetic manipulation of bioeconomically-relevant species. While genome sequencing and genomic analysis was previously restricted to large-scale projects and consortia, sequencing has become democratized. However, as genomics has become commonplace, the cataloging of sequenced organisms has become challenging, and standardized practices for sequencing, assembly, and annotation have not been adopted. This is equally true in research fields such as algal biology, despite the growing importance of algae in a bio-based economy. Here, in this study, we provide a comprehensive review of the state of eukaryotic algal genomics, explore the quality of algal genome assemblies, and identify the biases and gaps in the current species distribution to inform the development of future genome projects. Overall, we find a trend of declining quality of genomic resources, including a reduction in assembly quality, gene annotation quality, and genome completeness. Potential solutions to improve genome quality include widespread utilization of long read and scaffolding technologies, implementation of standards for assembly quality, evidence-based gene annotation and requisite publication, and support of continued development of gene prediction and genome assessment software.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Grazer-induced changes in molecular signatures of cyanobacteria

Algal biomass production is an emerging renewable source of fuels, nutrients, manufacturing materials, and pharmaceuticals. Industrial-scale production is predominantly performed in open raceway ponds that are inexpensive to build, operate, and maintain compared to closed bioreactors. However, these open pond systems suffer from increased opportunities for biological contamination from predators, pathogens, and competitors, which result in reduced biomass quality and yields and often the complete destruction of the crop over a short period of time. Early detection of contaminants is a necessary step of integrated pest management for triggering and informing interventions to prevent crop losses. To develop a sensitive method of detection utilizing mass spectrometry (MS), we used three methods – imaging mass spectrometry (imaging MS), liquid chromatography MS/MS (LC-MS/MS) combined with molecular networking, and gas chromatography MS/MS (GC–MS/MS) – to observe and identify molecular signatures from a model predator-prey system of the heterolobosean amoeba HGG1 preying on the filamentous cyanobacterium Anabaena sp. PCC 7120. Imaging MS enabled the association of molecules with the crop, the predator, or the activity of protozoan grazing, while LC-MS/MS-based molecular networking identified a subset of the grazing-specific signals as the chlorophyll breakdown products pyropheophytin, pheophorbide A, and pyropheophorbide. Application of MS techniques to other amoebacyanobacterial predator-prey pairs allowed categorization of grazing signatures as universal or specific to the species of prey, predator, or the prey-predator pairing, indicating that MS-based techniques can distinguish crops from competitors and potentially identify predators. Finally, GCMS/MS was shown to be capable of monitoring novel volatile organic compounds (VOCs), including those predicted to be released through chlorophyll breakdown, in the headspace over algal cultures under predation. Furthermore, these results demonstrate that the combination of multiple MS technologies creates a predictive framework to identify and catalog relevant molecular signatures for informing crop protection strategies.

09 BIOMASS FUELS↗
DOE OSTI2026

Cellulose-MOFs hybrid materials: Chemistry and mechanism of applications in biomedical - A review

Rising costs and performance limits of modern biomedical materials motivate the search for advanced, biocompatible alternatives. Cellulose-based metal-organic frameworks (cellulose-MOFs) emerge as distinctive hybrids combining renewable polymer chemistry with tunable porous architectures, enabling uncommon structure–function relationships. Their large surface area, controllable pore size, adaptable functional groups, and efficient host–guest interactions underpin diverse biomedical functions. Till now, no comprehensive, application-focused review has systematically summarized cellulose-MOFs synthesis for biomedical applications. This review critically analyzes cellulose-MOFs, emphasizing mechanistic links between chemistry, synthesis routes, interfacial interactions, and biomedical performance, rather than cataloging applications alone. Antibacterial action, targeted drug delivery, and sensing/biosensing are discussed through comparative insights. The article identifies unresolved challenges and proposes future research pathways to rationally design next-generation cellulose-MOFs systems, guiding researchers and clinicians alike.

Biomedical↗
DOE OSTI2026

Discovery and engineering of enzymes for new-to-nature photobiocatalysis

Photobiocatalysis integrates enzymatic catalysis with photochemistry, enabling challenging radical transformations with high selectivity under mild conditions. Early developments in this field were largely driven by the discovery that enzyme-bound cofactors can form photoactive charge–transfer complexes with substrates, thereby initiating radical chemistry upon light irradiation. Recent advances, however, have substantially expanded the mechanistic landscape of photobiocatalysis through diverse mechanisms. This review summarizes major developments in photobiocatalysis reported since 2024. Rather than cataloging individual reactions, we focus on the fundamental mechanisms of radical generation and interception within enzyme active sites, and discuss how these mechanistic principles guide the discovery, engineering, and design of enzymes for new-to-nature photobiocatalysis.

Bai, Zibo [University of Illinois Urbana-Champaign↗
DOE OSTI2021

A global metagenomic map of urban microbiomes and antimicrobial resistance

We present a global atlas of 4,728 metagenomic samples from mass-transit systems in 60 cities over 3 years, representing the first systematic, worldwide catalog of the urban microbial ecosystem. This atlas provides an annotated, geospatial profile of microbial strains, functional characteristics, antimicrobial resistance (AMR) markers, and genetic elements, including 10,928 viruses, 1,302 bacteria, 2 archaea, and 838,532 CRISPR arrays not found in reference databases. We identified 4,246 known species of urban microorganisms and a consistent set of 31 species found in 97% of samples that were distinct from human commensal organisms. Profiles of AMR genes varied widely in type and density across cities. Cities showed distinct microbial taxonomic signatures that were driven by climate and geographic differences. These results constitute a high-resolution global metagenomic atlas that enables discovery of organisms and genes, highlights potential public health and forensic applications, and provides a culture-independent view of AMR burden in cities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Saddle point sampling using scaled normal coordinates

The sampling of saddle points (SPs) on a potential energy surface (PES) is critical for describing the dynamics and transport properties of materials. In this paper we propose a saddle point search (SPS) method that enables efficient sampling of practically meaningful SPs around a local minimum by converting the PES to the scaled normal coordinates (SNCs), together with the dimer method. We find that the pathway leading to a SP using SNCs is highly efficient and is independent of the system size. This results in the significantly increased SPS efficiency and the enhanced possibility of a complete catalog of the SPs. In addition, we perform SPSs using the SNCs for the diffusion of a vacancy and a dumbbell in body-centered cubic Fe and demonstrate (1) the required number of system force evaluations for a SPS decreases by at least an order of magnitude, (2) the effects of the system size on the number of force evaluations are greatly decreased, and (3) the effects of the number of atoms involved in the SPS on the probability of finding practically meaningful SPs is mostly eliminated. We also discuss the computational cost of introducing the SNCs. It should be highlighted that the SNCs could also be applied to other minimum-mode following methods, demonstrating the general versatility of the proposed method.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Challenges for the statistical gravitational-wave method to measure the Hubble constant

Gravitational waves (GW) can be employed as standard sirens that will soon measure the Hubble constant with sufficient precision to weigh in on the ~5σ Hubble tension. Most GW sources will have no identified electromagnetic counterpart, leading to uncertainty in the redshift of the source, and in turn a degeneracy between host galaxy distance, redshift, and H 0 . In the case where no electromagnetic counterparts are identified, it has been proposed that a statistical canvassing of candidate GW hosts, found in a large galaxy survey for example, can be used to accurately constrain the Hubble constant. We study and simulate this "galaxy voting" method to compute H 0 . Here, we find that the Hubble constant posterior is in general biased relative to the true value even when making optimistic assumptions about the statistical properties of the sample. Using the MICECAT light-cone catalog, we find that the bias in the H0 posteriors depends on the realization of the underlying galaxy sample and the precision of the GW source distance measurement.

79 ASTRONOMY AND ASTROPHYSICS↗