Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “recent availability”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,477 records · Page 82

On-line Generation and Error Handling for Surrogate Models within Multifidelity Uncertainty Quantification

Uncertainty quantification is recognized as a fundamental task to obtain predictive numerical simulations. However, many realistic engineering applications require complex and computationally expensive high-fidelity numerical simulations for the accurate characterization of the system responses. Moreover, complex physical models and extreme operative conditions can easily lead to hundreds of uncertain parameters that need to be propagated through high-fidelity codes. Under these circumstances, a single fidelity approach, i.e. a workflow that only uses high-fidelity simulations to perform the uncertainty quantification task, is unfeasible due to the prohibitive overall computational cost. In recent years, multifidelity strategies have been introduced to overcome this issue. The core idea of this family of methods is to combine simulations with varying levels of fidelity/accuracy in order to obtain the multifidelity estimators or surrogates with the same accuracy of their single fidelity counterparts at a much lower computational cost. This goal is usually accomplished by defining a prioria sequence of discretization levels or physical modeling assumptions that can be used to decrease the complexity of a numerical realization and thus its computational cost. However ,less attention has been dedicated to low-fidelity models that can be built directly from the small number of high-fidelity simulations available. In this work we focus our attention on Reduced-Order Models that can be considered a particular class of data-driven approaches. Our main goal is to explore the combination of multifidelity uncertainty quantification and reduced-order models to obtain an efficient framework for propagating uncertainties through expensive numerical codes.

97 MATHEMATICS AND COMPUTING↗

HELIOCOMM: Wireless Controls State-of-the-Art Report

This report introduces the concept of wireless controls in heliostat-based concentrating solar thermal power (CSP) systems. Specifically, the need for wireless communications to be implemented within the heliostat-based CSP systems is identified versus the existing approaches that follow wireline connections which suffer from high installation, operation, and maintenance cost. Furthermore, this report analyzes the most recent advances in the field of developing wireless controls in heliostat-based CSP systems, which are highlighted to be in their infancy given the primitive wireless networking solutions that they currently utilize and test. The main contribution of this report is the introduction of a novel HELIOCOMM system that supports the wireless controls in heliostat-based CSP systems by exploiting the next generation networking technology of integrated access and backhaul. Furthermore, the proposed HELIOCOMM system performs an artificial intelligent clustering approach of the heliostats and clusterhead selection and develops an entropy-based routing model to enable the heliostats to communicate with the central station by considering their energy availability and network traffic. Also, towards efficiently exploiting the limited resources in the developed wireless communication system, a resource allocation module is introduced that performs the maximization of the energy efficiency of each heliostat by minimizing its corresponding experienced end-to-end latency to communicate with the central station, while performing an intelligent bandwidth splitting in the access and backhaul wireless links. The overall architecture is presented, and its individual building components are discussed in detail.

14 SOLAR ENERGY↗

Nerpa: A Tool for Discovering Biosynthetic Gene Clusters of Bacterial Nonribosomal Peptides

Microbial natural products are a major source of bioactive compounds for drug discovery. Among these molecules, nonribosomal peptides (NRPs) represent a diverse class of natural products that include antibiotics, immunosuppressants, and anticancer agents. Recent breakthroughs in natural product discovery have revealed the chemical structure of several thousand NRPs. However, biosynthetic gene clusters (BGCs) encoding them are known only for a few hundred compounds. Here, we developed Nerpa, a computational method for the high-throughput discovery of novel BGCs responsible for producing known NRPs. After searching 13,399 representative bacterial genomes from the RefSeq repository against 8368 known NRPs, Nerpa linked 117 BGCs to their products. We further experimentally validated the predicted BGC of ngercheumicin from Photobacterium galatheae via mass spectrometry. Nerpa supports searching new genomes against thousands of known NRP structures, and novel molecular structures against tens of thousands of bacterial genomes. The availability of these tools can enhance our understanding of NRP synthesis and the function of their biosynthetic enzymes.

59 BASIC BIOLOGICAL SCIENCES↗

Rapid changes in agricultural land use and hydrology in the Driftless Region

Annual cropping systems are common in the Driftless Region of the U.S. Midwest, but soil degradation is prone to happen in such systems due to the rugged topography of the region. Recent rapid increases in row crop area have been noted in this region, with annual precipitation and hydrologic extremes on the rise in recent decades. The aim of this research to use geospatial datasets and tools in order to assess the regional trends in land use, precipitation, and hydrologic change and quantify the relationship between these environmental trends. Between 2006 and 2017, substantial row crop expansion of 10,000 ha or more was common across HUC 8 (Hydrologic Unit Code 8) watersheds in our study area. Expansion occurred mainly on steeper slopes, converting existing grasslands or alfalfa (Medicago sativa L.) to row crops. Classifying land as planted (in row crops), plantable (in row crops or could be converted), and unplantable (unable to be converted) revealed that Driftless Region watersheds have ~30–50% of plantable land available for future expansion. Annual precipitation was highly variable during this time period but had a general increasing trend. On average, precipitation showed higher correlation to streamflow compared to row crop expansion across 27 USGS river gage drainage basins in our study area. However, when the increase in row crop area was significant and was accompanied by increasing precipitation, stronger correlation between row crop area and annual streamflow was exhibited. This finding suggests that row crop expansion acts to enhance the effects of increasing precipitation on local hydrology.

54 ENVIRONMENTAL SCIENCES↗

Advanced defrosting techniques in air source heat pumps: A review of vapor injection, thermal energy storage, and experimental frost accumulation data

Electrification is a critical step for reducing greenhouse gas emissions from heating. Air source heat pumps (ASHPs) are a promising alternative to fossil fuel-based systems due to their high coefficients of performance (COP), dual heating and cooling capability, and lower carbon footprint. However, for ASHPs to achieve widespread adoption, they must operate reliably across all climates, including cold regions. Additionally, defrosting techniques should be energy efficient and minimally disruptive to indoor comfort. Vapor injection (VI) technology can address the high-pressure and high-temperature lift challenges encountered in low ambient conditions. More recently, in addition to enhancing heating performance, VI has also been shown to improve the speed and efficiency of reverse cycle defrosting. Likewise, thermal energy storage (TES) has steadily gained attention for its ability to serve as an auxiliary heat source during both normal operation and defrosting. This review analyzes the benefits and limitations of VI- and TES-assisted defrosting approaches. While both technologies show strong potential individually, no studies to date have explored their combined use in ASHP systems. Additionally, to support continued development of defrosting strategies, both in modeling and experimental work, it is critical to establish frost accumulation data under a range of operating conditions. By compiling the available data from the literature, this paper also highlights the limited availability of such experimental data and the wide variation in frosting and defrosting durations and termination criteria, which are often influenced by system design and test setups.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer

Malic enzymes (ME1, ME2, and ME3) are involved in cellular energy regulation, redox homeostasis, and biosynthetic processes, through the production of pyruvate and reducing agent NAD(P)H. Recent studies have implicated the third and least well-characterized isoform, mitochondrial NADP + -dependent malic enzyme 3 (ME3), as a therapeutic target for pancreatic cancers. Here, we utilized an integrated structure approach to determine the structures of ME3 in various ligand-binding states at near-atomic resolutions. ME3 is captured in the open form existing as a stable tetramer and its dynamic Domain C is critical for activity. Catalytic assay results reveal that ME3 is a non-allosteric enzyme and does not require modulators for activity while structural analysis suggests that the inner stability of ME3 Domain A relative to ME2 disables allostery in ME3. With structural information available for all three malic enzymes, the foundation has been laid to understand the structural and biochemical differences of these enzymes and could aid in the development of specific malic enzyme small molecule drugs.

60 APPLIED LIFE SCIENCES↗

Geospatial Capabilities to Couple Hazard and Social Vulnerability Data in Water Distribution Criticality Analysis

A resilience analysis of a water distribution system is greatly enhanced by the integration of up-to-date geospatial data describing the water system, hazards, and surrounding community. The Water Network Tool for Resilience (WNTR), an open-source Python package designed to simulate and analyze the resilience of water distribution systems, was recently updated to incorporate geographic information system (GIS) data into the resilience analysis. This paper describes the GIS capabilities and includes a case study using the drinking water distribution system model for a large city in Pennsylvania. The case study focuses on potential pipe damage from landslides and on pipes that are particularly difficult to repair. The analysis couples data on hazards, social vulnerability, and the location of emergency services to identify and prioritize high-impact critical infrastructure for mitigation. Results demonstrate that pipes can be prioritized for mitigation based on water shortage and vulnerable populations that are affected. In conclusion, the methods can be adopted for general use and are available as part of the WNTR software.

GIS, landslide↗

Compilation of a Comprehensive Earthquake Catalog and Relocations in the Caucasus Region

Instrumental seismic monitoring has a long history in the Caucasus and started in 1899 when the first seismograph was installed in Tbilisi, Georgia. Much of the analog paper records from this time period are preserved in the Tbilisi archives because Georgia served as the regional data center. In the 1990s, due to the collapse of the Soviet Union and the political turmoil in the region, the analog networks and the communication between the newly formed national networks deteriorated. In Georgia, for the next 13 yr, the seismic network coverage was poor until the 2002 Tbilisi earthquake. Following this earthquake, the first permanent digital seismic station in Georgia was established in Tbilisi in 2003. The digital era progressively improved the ability to collect and archive data and today more than a hundred broadband seismic stations (including temporary arrays) are operating in the southern Caucasus. Until recently, the region lacked a coordinated effort to catalog all analog and digital era data collected by different countries into a single repository. As a result of collaboration between Lawrence Livermore National Laboratory, the Ilia State University, and the Republican Seismic Survey Center of Azerbaijan, a comprehensive earthquake catalog was compiled for the Caucasus and neighboring areas as part of a broader probabilistic seismic hazard assessment project. Here this project digitized Soviet-era paper bulletins, compiled a unified earthquake catalog from regional bulletins, developed 1D reference velocity model, and used it to relocate the events. The final catalog contains 16,963 events with magnitudes 3.7 and above, bringing together all the available data sets in the Caucasus region from 1900 to 2015, significantly improving locations, and generating the most complete earthquake catalog in the region, temporally and geographically.

58 GEOSCIENCES↗

Direct Air Capture Case Studies: Sorbent System (Rev. 1)

In 2022, the National Energy Technology Laboratory published a techno-economic assessment (TEA) examining the performance and cost of a generic solid sorbent-based direct air capture (DAC) system, “Direct Air Capture Case Studies: Sorbent System”. Revision 1 of this report builds on the previous effort by updating assumptions to reflect the evolving industry and recent developments in the DAC research and development (R&D) portfolio. Revision 1 of the report also expands the case list to examine a variety of sorbent DAC system configurations. The objective of this series is to present transparent and independent TEAs that can serve as a guideline for sorbent DAC TEA development and highlight potential avenues for cost reductions that can inform R&D. The sorbent considered is not reflective of any one material type; rather, it represents an approximate average of reported material performance in the literature. The base cases presented in this series do not represent optimized systems due to the nascence of the technology and lack of publicly available information. The base cases serve as a reference for informative sensitivity analyses.

54 ENVIRONMENTAL SCIENCES↗

Far-ultraviolet to FIR Spectral-energy Distribution Modeling of the Stellar Formation History of the M31 Bulge

M31 is being surveyed at far- and near-ultraviolet with the UVIT telescope on AstroSat. The central bulge of M31 was observed in the N279N (275–280 nm), N219M (200–240 nm), F172M (160–185 nm), F169M (145–175 nm), and F148W (120–180 nm) filters. These images are made publicly available here. The UVIT data are supplemented with Sloan Digital Sky Survey data in optical, Spitzer data in near-infrared and Herschel data in mid- and far-infrared. The resulting far-ultraviolet to IR spectral-energy distributions for the bulge and for 10 subregions, are modeled using combinations of simple stellar populations and with CIGALE models. We find a dominant old (10–12 Gyr) metal-rich ([Z/H] ~ 0.3) population and a younger (600 Myr) solar abundance ([Z/H] ~ 0) population throughout the bulge. For the innermost 120" we find an additional very young (25 Myr) metal-poor ([Z/H] ~ –0.7) population. The results are consistent with the most recent stellar population studies of the bulge, which find the two populations for the whole bulge and a third young population in the innermost bulge.

79 ASTRONOMY AND ASTROPHYSICS↗

Utilization of Data Augmentation Techniques in Automated Inspection Systems for Defect Detection in Metals With Limited Data

Accurate identification of defects on metal surfaces is of great interest to many industry sectors, such as the automotive and aerospace industries. In contrast to conventional manual inspection techniques, recent automated inspection systems employ deep learning models trained to detect defects rapidly and precisely. The development of these models often requires a substantial image dataset to acquire adequate knowledge of defect features and enhance their predictive accuracy. When data is limited, augmentation techniques are often used to improve the precision and accuracy of defect detection systems. This study examined the prediction performance of two object detection models, namely Faster Region‐based Convolutional Neural Network (Faster R‐CNN) and You Only Look Once version 8 (YOLOv8), to identify dent defects in limited images of cast iron cylinder head surfaces. The original image set contains 46 images with 563 dents. To overcome limited data availability, common image augmentation techniques along with a copy‐paste method were applied. Results show that standard augmentation improved YOLOv8 accuracy by 8.00% and average precision (AP) by 3.00%. On the other hand, the copy‐paste technique achieved a 20.00% increase in accuracy and a 1% increase in AP with just 200 synthetic dents. Furthermore, these results provide support for using the copy‐paste augmentation strategy to enhance defect detection performance, with a limited dataset, contributing to more accurate defect identification in remanufacturing processes.

36 MATERIALS SCIENCE↗

Sub-Ångström-resolution MicroED Using a Direct Detection Camera

The recent development of microcrystal electron diffraction (MicroED) in electron cryo-microscopy (cryo-EM) has addressed many of the challenges of X-ray crystallography [1], filling a long-standing need in organic chemistry for rapid and accurate high-resolution structural characterization [2]. Like X-ray crystallography, this is also a diffraction technique requiring crystalline specimens, but because high energy electrons have a more favorable ration of elastic to inelastic scattering [3], MicroED can acquire data using crystals that are orders of magnitude smaller than those needed for X-ray crystallography—even as small as 50 nm in length [4]. Additionally, the instrumentation required for MicroED is readily available, as many chemistry and biology labs already have access to cryo-capable transmission electron microscopes (TEM).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Renewable Activated Carbon Sorbent for the Desulfurization of Liquid Fuels

In recent years, significant efforts have been devoted to the reduction of sulfur levels in transportation fuels in order to reach regulatory limits and reduce the emission of harmful SO x into the atmosphere. In particular, adsorptive desulfurization (ADS) has the potential to produce zero-sulfur fuels without the need for a high energy intensity process, high H 2 pressure, and long process times as in the case of other technologies such as hydrodesulfurization. In this work, we have demonstrated the effectiveness of renewable activated carbons derived from food waste (FWAC) for the ADS of model jet and diesel fuels. The optimal FWAC materials were those fabricated to maximize the micropore volume, providing available sites for the adsorption of dibenzothiophene (DBT) and dimethyldibenzothiophene (DMDBT). The FWAC had a greater sulfur adsorption capacity than commercial AC, Y zeolite sorbents, and AC derived from other biomass sources including miscanthus, coconut shell, and walnut shell. Elemental analysis suggests that the inorganic impurities inherent in food waste, notably K, Ca, P, and Na, may contribute to its improved sulfur adsorption compared to other AC materials. Microscopy and X-ray diffraction studies further demonstrated the presence of inorganic species on FWAC that may provide active sites for the chemisorption of sulfur molecules.

Adsorption↗

The Electron Spectro-Microscopy (ESM) Beamline at NSLS-II

Photoelectron spectroscopy is a primary tool for the study of the electronic structure of materials and the chemical composition of surfaces. High-resolution angle-resolved photoemission spectroscopy (ARPES) has the unique ability to map the energy bands in momentum space. Furthermore, going beyond the single particle picture, the self-energy corrections caused by correlations in solids can be extracted from the analysis of the emission line shape. The current level of refinement, in terms of energy and angular resolution (ΔE < 1 meV, Δθ < 0.1°), makes the technique sensitive to the lowest energy excitations and the dynamics of electrons, which in turn virtually determine all the macroscopic properties of any system and govern the chemical, electrical, magnetic, and physical processes. Similarly important, X-ray photoelectron microscopy (XPEEM), combined with the low-energy electron microscopy (LEEM), is indispensable in probing the complexity of chemical, structural, electronic and magnetic properties of surfaces and shallow interfaces, with the spatial resolution of few tens of nanometer (nm). The Electron-Spectro-Microscopy beamline (ESM) has been recently commissioned at NSLS-II and is now in operation. The primary spectroscopic technique is photoemission, performed over a wide energy range with control of light polarization and in a variety of flux/resolution conditions. The beamline has two experimental end stations that allow to perform ARPES and XPEEM/LEEM, separately. The ARPES end station focuses on high energy-resolution work, with spot-size of a few microns. The XPEEM/LEEM end station is a full-field microscope (XPEEM) operating either with the synchrotron generated X-rays (XPEEM), or with an internal electron gun (LEEM). Spatial resolution is crucial in studies of newly synthesized complex materials since they are often initially available only as small specimens (typically micron size). Furthermore, chemical inhomogeneities on surfaces are often an integral part of surface chemical processes. Finally, the ESM beamline with X-ray spots of few microns is optimized to study the electronic structure of novel materials with microscopy capabilities.

47 OTHER INSTRUMENTATION↗

Spontaneous Valley Polarization of Itinerant Electrons

Memory or transistor devices based on an electron’s spin rather than its charge degree of freedom offer certain distinct advantages and comprise a cornerstone of spintronics. Recent years have witnessed the emergence of a new field, valleytronics, which seeks to exploit an electron’s valley index rather than its spin. An important component in this quest would be the ability to control the valley index in a convenient fashion. Here we show that the valley polarization can be switched from zero to 1 by a small reduction in density, simply tuned by a gate bias, in a two-dimensional electron system. This phenomenon, which is akin to Bloch spin ferromagnetism, arises fundamentally as a result of electron-electron interaction in an itinerant, dilute electron system. Essentially, the kinetic energy favors an equal distribution of electrons over the available valleys, whereas the interaction between electrons prefers single-valley occupancy below a critical density. The gate-bias-tuned transition we observe is accompanied by a sudden, twofold change in sample resistance, making the phenomenon of interest for potential valleytronic transistor device applications. Finally, our observation constitutes a quintessential demonstration of valleytronics in a very simple experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Electron spin coherence on a solid neon surface

We report a single electron floating on the surface of a condensed noble-gas liquid or solid can act as a spin qubit with ultralong coherence time, thanks to the extraordinary purity of such systems. Previous studies suggest that the electron spin coherence time on a superfluid helium (He) surface can exceed 100 s. In this paper, we present theoretical studies of the electron spin coherence on a solid neon (Ne) surface, motivated by our recent experimental realization of single-electron charge qubit on solid Ne. The major spin decoherence mechanisms investigated include the fluctuating Ne diamagnetic susceptibility due to thermal phonons, the fluctuating thermal current in normal metal electrodes, and the quasi-statically fluctuating nuclear spins of the 21 Ne ensemble. We find that at a typical experimental temperature about 10 mK in a fully superconducting device, the electron spin decoherence is dominated by the third mechanism via electron–nuclear spin–spin interaction. For natural Ne with 2700 ppm abundance of 21 Ne, the estimated inhomogeneous dephasing time ${T}_{2}^{*}$ is around 0.16 ms, already better than most semiconductor quantum-dot spin qubits. For commercially available, isotopically purified Ne with 1 ppm of 21 Ne, ${T}_{2}^{*}$ can be 0.43 s. Under the application of Hahn echoes, the coherence time T 2 can be improved to 30 ms for natural Ne and 81 s for purified Ne. Therefore, the single-electron spin qubits on solid Ne can serve as promising new spin qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fusion Materials Research at Oak Ridge National Laboratory in Fiscal Year 2023

The materials science challenge of providing a suite of suitable materials to satisfy the technology to achieve fusion energy is addressed in this ORNL program. The inability of currently available materials and components to withstand the harsh fusion nuclear environment requires development of new materials, and an understanding of their response to the fusion environment. The overarching goal of the ORNL Fusion Materials program is to provide the applied materials science support and materials understanding to underpin the ongoing DOE Office of Science—Fusion Energy Sciences program, in parallel with developing the materials for fusion power systems. In this effort the program continues to be integrated both with the larger U.S. and international fusion materials communities and with the U.S. and international fusion design and technology communities. The excitement of this program comes from the priorities given to this subject in the two recent fusion reviews, by the FESAC and NAS committees. An important element of those recommendations is the support for pivoting the national R&D emphasis to the Fusion Materials and Technologies (FM&T), the long-advocated Fusion Prototypic Neutron Source, and for the Fusion Pilot Plant study that will help focus program direction and efforts. Furthermore, the surge of venture capital investment into the private fusion industry start-ups over the last few years is anticipated to help accelerate all aspects of the fusion energy development. This twelfth annual report of the ORNL (Oak Ridge National Laboratory) Fusion Reactor Materials Program summarizes the accomplishments in Fiscal Year 2023 (FY2023). The year was the first to return to full post-COVID-restriction operations, with students and international assignees no longer impacted by COVID restrictions, as in FY20-21-22. Following the pattern of planning used in this program, work for the year FY2023 focused on having the data and productivity to support a strong presence at the International Conference on Fusion Reactor Materials (ICFRM) 21, organized by Spain and occurred in October 2023. Twenty-nine ORNL-led abstracts were submitted, with all accepted. Four were invited presentations, nine contributed oral, fourteen posters, and two withdrawn due to unforeseen circumstances. Additionally, nine external abstracts with ORNL contributing authors were presented. These will be reported in the FY24 report next year.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An Optical Overview of Blazars with LAMOST. II. Gamma-Ray Blazar Candidates and Updated Classifications

Blazars represent the dominant class of associated γ-ray sources detected by the Fermi Large Area Telescope (LAT). However, in the more recent release of the Fourth Fermi-LAT Point Source Catalog (4FGL), ∼25% of the sources associated with lower-energy counterparts show a multifrequency behavior similar to that of blazars, but lacks an optical spectroscopic confirmation of their nature and are therefore classified as Blazar Candidates of Uncertain Type (BCUs). A particularly challenging task in blazar studies is to classify these BCUs and, when possible to estimate their redshifts, in particular for BL Lac objects, characterized by almost featureless optical spectra with only weak emission lines. Continuing our study of blazars with Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) optical spectral data, we perform an extensive search for optical spectra available in the LAMOST Data Release 6 archive. Our aim is confirming the blazar nature of BCUs and to test if new data can allow us to get a redshift estimate for BL Lac objects that lack measurement, as well as to search for and discover changing-look blazars. We selected sources out of the 4FGL catalog, the list of targets from our follow-up spectroscopic campaign of unidentified and/or unassociated γ-ray sources, and the Roma-BZCAT multifrequency catalog of blazars, finding a total of 42 sources with available LAMOST DR6 spectra. We confirmed the blazar-like nature of four blazar candidates . For the remaining 37 sources we confirm their previous classification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗