Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Virtualization”

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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Landau-Zener transition between two levels coupled to continuum

We report for a Landau-Zener transition in a two-level system, the probability for a particle, initially in the first level, i, to survive the transition and to remain in the first level, depends exponentially on the square of the tunnel matrix element between the two levels. This result remains valid when the second level, f, is broadened due to e.g. coupling to continuum (Akulin and Schleich (1992) [26]). If the level, i, is also coupled to continuum, albeit much weaker than the level f, a particle, upon surviving the transition, will eventually escape. However, for shorter times, the probability to find the particle in the level i after crossing f is enhanced due to the coupling to continuum. This, as shown in the present paper, is the result of a second-order process, which is an additional coupling between the levels. The underlying mechanism of this additional coupling is virtual tunneling from i into continuum followed by tunneling back into f.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Constraining baryon annihilation in the hadronic phase of heavy-ion collisions via event-by-event fluctuations

We point out that the variance of net-baryon distribution normalized by the Skellam distribution baseline, κ 2 [$B-\overline{B}$]/$\langle B+\overline{B} \rangle$, is sensitive to the possible modification of (anti)baryon yields due to $B\overline{B}$ annihilation in the hadronic phase. The corresponding measurements can thus place stringent limits on the magnitude of the $B\overline{B}$ annihilation and its inverse reaction. We perform Monte Carlo simulations of the hadronic phase in Pb-Pb collisions at the LHC via the recently developed subensemble sampler + UrQMD afterburner and show that the effect survives in net-proton fluctuations, which are directly accessible experimentally. The available experimental data of the ALICE Collaboration on net-proton fluctuations disfavors a notable suppression of (anti)baryon yields in $B\overline{B}$ annihilations predicted by the present version of UrQMD if only global baryon conservation is incorporated. On the other hand, the annihilations improve the data description when local baryon conservation is imposed. The two effects can be disentangled by measuring κ 2 [$B-\overline{B}$]/$\langle B+\overline{B} \rangle$, which at the LHC is notably suppressed by annihilations but virtually unaffected by baryon number conservation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Towards $\mathrm{NNLO}$+$\mathrm{PS}$ matching with sector showers

We outline a new technique for the fully-differential matching of final-state parton showers to NNLO calculations, focussing here on the simplest case of leptonic collisions with two final-state jets. The strategy is facilitated by working in the antenna formalism, making use of NNLO antenna subtraction on the fixed-order side and the sector-antenna framework on the shower side. As long as the combined real-virtual and double-real corrections do not overcompensate the real-emission term in the three-jet region, negative weights can be eliminated from the matching scheme. We describe the implementation of all necessary components in the VINCIA antenna shower in PYTHIA 8.3.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Resonance contributions to radiative corrections in charged-current elastic (anti)neutrino-nucleon scattering at GeV energies

We present the first evaluation of virtual resonance contributions to the charged-current elastic (anti)neutrino-nucleon scattering at GeV energies, focusing on the dominant Δ(1232) resonance. We approximate the vector part of the N → Δ transition by the leading magnetic dipole term. Our results for the cross-section corrections at fixed neutrino energy indicate the permille-level contribution of resonance intermediate states to the elastic and radiative scattering cross sections. This calculation exhibits the expected infrared behavior of the invariant amplitudes and unpolarized cross sections. Our findings provide important insights into inelastic excitations in the charged-current elastic (anti)neutrino-nucleon scattering at GeV energies.

Electroweak interaction↗
DOE OSTI2023

Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6)

Histidinol-phosphate aminotransferase is the sixth protein (hence HISN6) in the histidine biosynthetic pathway in plants. HISN6 is a pyridoxal 5'-phosphate (PLP)-dependent enzyme that catalyzes the reversible conversion of imidazole acetol phosphate into L-histidinol phosphate (HOLP). Here, we show that plant HISN6 enzymes are closely related to the orthologs from Chloroflexota. The studied example, HISN6 from Medicago truncatula (MtHISN6), exhibits a surprisingly high affinity for HOLP, which is much higher than reported for bacterial homologs. Moreover, unlike the latter, MtHISN6 does not transaminate phenylalanine. High-resolution crystal structures of MtHISN6 in the open and closed states, as well as the complex with HOLP and the apo structure without PLP, bring new insights into the enzyme dynamics, pointing at a particular role of a string-like fragment that oscillates near the active site and participates in the HOLP binding. When MtHISN6 is compared to bacterial orthologs with known structures, significant differences arise in or near the string region. The high affinity of MtHISN6 appears linked to the particularly tight active site cavity. Finally, a virtual screening against a library of over 1.3 mln compounds revealed three sites in the MtHISN6 structure with the potential to bind small molecules. Such compounds could be developed into herbicides inhibiting plant HISN6 enzymes absent in animals, which makes them a potential target for weed control agents.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Dynamical coupled-channel models for hadron dynamics

Dynamical coupled-channel (DCC) approaches parametrize the interactions and dynamics of two and more hadrons and their response to different electroweak probes. The inclusion of unitarity, three-body channels, and other properties from scattering theory allows for a reliable extraction of resonance spectra and their properties from data. Here, we review the formalism and application of the ANL-Osaka, the Juelich-Bonn-Washington, and other DCC approaches in the context of light baryon resonances from meson, (virtual) photon, and neutrino-induced reactions, as well as production reactions, strange baryons, light mesons, heavy meson systems, exotics, and baryon-baryon interactions. Finally, we also provide a connection of the formalism to study finite-volume spectra obtained in Lattice QCD, and review applications involving modern statistical and machine learning tools.

Amplitude analysis↗
DOE OSTI2023

Performance Analyses of Supercritical Carbon Dioxide-Based Parabolic Trough Collectors with Double-Glazed Receivers

Supercritical carbon dioxide is becoming a hot research topic as a potential heat transfer fluid in parabolic trough concentrators since it enables operating the solar system at high temperatures for a higher quality of energy. However, the corresponding inflated thermal losses necessitate alternative receiver designs. This work examines four double-glazed receivers, with each annular space being evacuated or non-evacuated, in terms of the absorber tube's diameter (53-80 mm) and the diameter ratios of the two glass shells (1.2-2.0). An analytical model is developed and validated for this purpose, and the four designs are further examined using ground-level solar and meteorological measurements. The results demonstrate higher performance in the case of fully evacuating the receiver and using the smallest possible diameters of the three concentric cylinders, where the energy and exergy efficiencies reach 65.3 and 40.3%, respectively. Yet, evacuating only the inner annular space is sufficient to achieve virtually the same performance level. This energy efficiency decreases to 62% in case of increasing the tube diameter to 80 mm. As the operating temperature increases from 423 to 850 K, the specific thermal losses increase by 3.98-4.34 folds, depending on the receiver design. Double glazing the receivers is favorable only at high operating temperatures of sCO2, where the reduction in thermal losses overcomes the drop in optical efficiency. For an inlet sCO2 temperature of 850 K, thermal losses are reduced by 33.64 and 53.92%, compared to evacuated and non-evacuated single-glazed receivers, respectively. Throughout the year, the fully evacuated and fully non-evacuated double-glazed receivers have energy efficiencies of 54.96 and 52.39%, exergy efficiencies of 33.64 and 32.06%, and thermal losses of 348.8 and 402.5 W/m, respectively.

analytical model↗
DOE OSTI2025

Versatile system for ion energy measurements generated by pulsed laser ionization: Insights into electron-ion dynamics

Ion energy distributions generated by pulsed laser interactions with materials are essential for applications ranging from materials science to oncology. Ion energy characterization is particularly important for an emerging mass spectrometry technique called virtual-slit cycloidal mass spectrometry (VS-CMS). The ion energy distribution influences the design and performance of VS-CMS instruments, as well as the efficacy of laser-driven ionization methods in various fields. Several established techniques, including the retarding potential method, time-of-flight (TOF) analysis, and electrostatic energy analyzers, have been employed to measure ion energy distributions. The wide range of ion energies reported highlights the strong dependence of ion energy on laser parameters, target materials, and experimental conditions, as well as the necessity of making independent measurements of the ion energy distribution for specific laser systems and materials. This paper presents the design and characterization of a simple TOF-based apparatus for measuring ion energy distributions from pulsed laser ionization without external fields. This approach minimizes perturbation of electron-ion dynamics and enables simultaneous energy measurements at multiple spatial positions. Here, the apparatus was tested using a nanosecond pulsed Nd:YAG laser operating at 1064 nm, 532 nm, and 266 nm on solid copper sheets at various laser fluences. Simultaneous measurements at different distances provide new insights into ion-electron interactions post-ionization and demonstrate the influence of laser wavelength and fluence on ion energy distributions.

Ion energy↗
DOE OSTI2023

The confluence of machine learning and multiscale simulations

Multiscale modeling has a long history of use in structural biology, as computational biologists strive to overcome the time- and length-scale limits of atomistic molecular dynamics. Contemporary machine learning techniques, such as deep learning, have promoted advances in virtually every field of science and engineering and are revitalizing the traditional notions of multiscale modeling. Deep learning has found success in various approaches for distilling information from fine-scale models, such as building surrogate models and guiding the development of coarse-grained potentials. However, perhaps its most powerful use in multiscale modeling is in defining latent spaces that enable efficient exploration of conformational space. In conclusion, this confluence of machine learning and multiscale simulation with modern high-performance computing promises a new era of discovery and innovation in structural biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Challenges in studying water fluxes within the soil-plant-atmosphere continuum: A tracer-based perspective on pathways to progress

Tracing and quantifying water fluxes in the hydrological cycle is crucial for understanding the current state of ecohydrological systems and their vulnerability to environmental change. Especially the interface between ecosystems and the atmosphere that is strongly mediated by plants is important to meaningfully describe ecohydrological system functioning. Many of the dynamic interactions generated by water fluxes between soil, plant and the atmosphere are not well understood, which is partly due to a lack of interdisciplinary research. This opinion paper reflects the outcome of a discussion among hydrologists, plant ecophysiologists and soil scientists on open questions and new opportunities for collaborative research on the topic "water fluxes in the soil-plant-atmosphere continuum" especially focusing on environmental and artificial tracers. We emphasize the need for a multi-scale experimental approach, where a hypothesis is tested at multiple spatial scales and under diverse environmental conditions to better describe the small-scale processes (i.e., causes) that lead to large-scale patterns of ecosystem functioning (i.e., consequences). Novel in-situ, high-frequency measurement techniques offer the opportunity to sample data at a high spatial and temporal resolution needed to understand the underlying processes. Here we advocate for a combination of long-term natural abundance measurements and event-based approaches. Multiple environmental and artificial tracers, such as stable isotopes, and a suite of experimental and analytical approaches should be combined to complement information gained by different methods. Virtual experiments using process-based models should be used to inform sampling campaigns and field experiments, e.g., to improve experimental designs and to simulate experimental outcomes. On the other hand, experimental data are a pre-requisite to improve our currently incomplete models. Interdisciplinary collaboration will help to overcome research gaps that overlap across different earth system science fields and help to generate a more holistic view of water fluxes between soil, plant and atmosphere in diverse ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Origin of increased helium density inside bubbles in Ni (1–$x$) Fe $x$ alloys

Due to virtually no solubility, He atoms implanted or created inside materials tend to form bubbles, which are known to damage material properties through embrittlement. Higher He density in nano-sized bub- bles was observed both experimentally and computationally in Ni (1–$x$) Fe $x$ -alloy samples compared to Ni. The bubbles in the Ni (1–$x$) Fe $x$ -alloys were observed to be faceted, whereas in elemental Ni they were more spherical. Molecular dynamics simulations showed that stacking fault structures formed around bubbles at maximum He density. Higher Fe concentrations stabilize stacking fault structures, suppress evolution of dislocation network around bubbles and suppress complete dislocation emission, leading to higher He density.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A predictive analytical model of electrical transport in multi-principal-element alloys

A predictive analytical model is presented for the electrical conductivity of multi-principal-element alloys (MPEAs), including those containing aluminum, transition metals, and refractory metals. Given that the lattice parameter of the Wigner-Seitz cell of an MPEA is similarly variable to a bulk metallic glass, it is postulated that electron scattering can be approximated by a series of two-level systems. Here, the resulting reduced-order model enabled an accurate determination of electrical resistivity and electron thermal conductivity based on the scattering of electrons in a two-level system across a Bloch-potential-based virtual crystal approximation. Model results are compared to experimental four-point probe electrical resistivity measurements between 300 K and 700 K for Al 0.3 CoCrCuFeNi, CoCrFeMnNi, (CoCrFeMnNi) 0.98 W 0.02 , (CoCrFeMnNi) 0.95 W 0.05 , and Nb 4 Ta 4 V 3 Ti, for model validation.

Analytical model↗
DOE OSTI2022

A review of zirconia oxygen, NO x , and mixed potential gas sensors – History and current trends

Zirconia-based electrochemical sensors have revolutionized oxygen monitoring and combustion control. Here, these robust, solid-state devices are found in virtually every internal combustion engine today providing feedback information for tight air to fuel ratio control thus minimizing unwanted emissions and improving engine efficiency. Variations on the sensor design and operational mode enable the measurement of nitrogen oxides to part per million levels, providing control information for exhaust after-treatment systems. Emerging designs include the development of "gas analyzers on a chip" capable of monitoring oxygen, carbon monoxide, nitrogen oxides, ammonia and hydrocarbons.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Characterization of front contact degradation in monocrystalline and multicrystalline silicon photovoltaic modules following damp heat exposure

Reliability and durability tests play a key role in the photovoltaic (PV) industry by minimizing potential failure risks for both existing and new cell and module technologies. In this work, a detailed study of contact degradation in monocrystalline and multicrystalline PV modules is performed. The modules are subjected to a sequence of damp heat (DH) exposures followed by electrical characterization after each step. Electroluminescence (EL) imaging shows different darkening patterns for monocrystalline modules compared to multicrystalline modules; the former shows darkening near the busbars and the latter shows it across virtually the entire cell surface. The primary loss mechanism is confirmed to be resistive after comparing the current-voltage (I–V) characteristics at each DH exposure step. Representative samples have been cored out from both the degraded modules and controls for materials characterization to gain further insights into the degradation mechanism. Top-down and cross-sectional scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and top-down high-resolution X-ray photoelectron spectroscopy (XPS) analysis performed on the cored samples confirm the degradation is due to metallization corrosion. Our study suggests that the difference in the darkening pattern can most likely be attributed to the different silver paste composition used for contacting each cell technology, particularly the composition of the glass frit.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Determination of the mutual orientation between proton CSA tensors mediated through band-selective 1 H– 1 H recoupling under fast MAS

We report the mutual orientation of nuclear spin interaction tensors provides critical information on the conformation and arrangement of molecules in chemicals, materials, and biological systems at an atomic level. Proton is a ubiquitous and important element in a variety of substances, and its NMR is highly sensitive due to their virtually 100% natural abundance and large gyromagnetic ratio. Nevertheless, the measurement of mutual orientation between the 1 H CSA tensors has remained largely untouched in the past due to strong 1 H– 1 H homonuclear interactions in a dense network of protons. In this study, we have developed a proton-detected 3D 1 H CSA/ 1 H CSA/ 1 H CS correlation method that utilizes three techniques to manage homonuclear interactions, namely fast magic-angle spinning, windowless C-symmetry-based CSA recoupling (windowless-ROCSA), and a band-selective 1 H– 1 H polarization transfer. The asymmetric 1 H CSA/ 1 H CSA correlated powder patterns produced by the C-symmetry-based methods are highly sensitive to the sign and asymmetry parameter of the 1 H CSA, and the Euler angle β as compared to the symmetric pattern obtained by the existing γ-encoded R-symmetry-based CSA/CSA correlation methods and allows a larger spectral area for data fitting. These features are beneficial for determining the mutual orientation between the nuclear spin interaction tensors with improved accuracy.

1H CSA↗
DOE OSTI2022

Alternative Ratemaking in the US: A Prerequisite for Grid Modernization or an Unwarranted Shift of Risk to Customers?

With increasing frequency, investor-owned electric utilities are requesting preferred cost recovery for "grid modernization" in multiple forms, from multi-year rate plans to riders. Utilities' claims that massive grid investment is necessary, and that exceptional investment requires exceptional cost recovery, are typically accepted by policymakers with little challenge. It is difficult for policymakers to resist the siren call of grid modernization's perceived outcomes, from improved reliability and resilience to reduced risks to safety and new customer technology adoption (electric vehicles, distributed energy resources, and more). This paper provides a contrarian viewpoint that is virtually absent as policymakers consider alternative ratemaking practices. It introduces the possibility that excess grid investment in the name of modernization is not only possible, and economically harmful, but has already occurred, encouraged by alternative ratemaking. It provides examples of common grid modernization expenditures the authors have identified as cost-ineffective in the course of their work. It also describes traditional grid planning practices with proven ability to address changing requirements over time, calling into question the need for exceptional grid modernization investment plans. Most important, the paper explains the moral hazard inherent in alternative ratemaking, and the fundamental shift in ratemaking risks and responsibilities from utilities to customers that results. The perspectives this paper presents are critical for policymakers to understand before adopting, extending, or expanding alternative ratemaking practices in their respective jurisdictions.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

Associations between SARS-CoV-2 Infection or COVID-19 Vaccination and Human Milk Composition: A Multi-Omics Approach

Background: The risk of contracting severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) via human milk-feeding is virtually nonexistent. Adverse effects of coronavirus disease 2019 (COVID-19) vaccination for lactating individuals are not different from the general population, and no evidence has been found that their infants exhibit adverse effects. Yet, there remains substantial hesitation among this population globally regarding the safety of these vaccines. Objectives: Herein, we aimed to determine if compositional changes in milk occur following SARS-CoV-2 infection or COVID-19 vaccination, including any evidence of vaccine components. Methods: An extensive multiomics approach was taken using a subset of milk samples obtained as part of our broad studies examining the effects on milk of SARS-CoV-2 infection and COVID-19 vaccination. Results: We found that compared with unvaccinated individuals, SARS-CoV-2 infection was associated with significant compositional differences in 67 proteins, 385 lipids, and 13 metabolites. In contrast, COVID-19 vaccination was not associated with any changes in lipids or metabolites, although it was associated with changes in 13 or fewer proteins. Compositional changes in milk differed by vaccine. Changes following vaccination were greatest after 1–6 h for the mRNA-based Moderna vaccine (8 changed proteins), 3 d for the mRNA-based Pfizer (4 changed proteins), and adenovirus-based Johnson and Johnson (13 changed proteins) vaccines. Proteins that changed after both natural infection and Johnson and Johnson vaccine were associated mainly with systemic inflammatory responses. In addition, no vaccine components were detected in any milk sample. Conclusions: Together, our data provide evidence of only minimal changes in milk composition because of COVID-19 vaccination, with much greater changes after natural SARS-CoV-2 infection.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

A consumer-centric approach to quantify efficiency of receiving goods purchased via online

Virtual participation in shopping activities has increased exponentially in the past four years compared to the last couple of decades. E-tailing or online shopping offers the convenience of goods reaching a consumer instead of a consumer traveling to a store, but it has downsides like geographical service variability and negative social externalities such as increased energy consumption and emissions. This study proposes a novel approach to quantify e-tailing efficiency from the consumers’ viewpoint. The methodology is innovative in its integration of accessibility theory with energy and cost impedance factors and consideration of delivering and picking up goods purchased via online. The methodology is implemented for the San Francisco Bay Area and is subject to scenarios that see enhancements to various facets of online shopping delivery. Results demonstrate that increasing the frequency of e-commerce deliveries helps improve e-tailing efficiency in rural locations, while improvements in energy and cost aspects of delivery modes are seen to improve e-tailing efficiencies in the central parts of the region. The approach proposed can provide valuable insights on where people have limited benefits from online shopping and how emerging delivery mechanisms can change the quality of the e-commerce experience within a city. This research offers a replicable framework for assessing e-commerce systems in diverse geographic contexts, contributing to the development of equitable and environmentally sustainable urban freight systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗