Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PIVOT”

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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Engineering advancements in microfluidic systems for enhanced mixing at low Reynolds numbers

Mixing within micro- and millichannels is a pivotal element across various applications, ranging from chemical synthesis to biomedical diagnostics and environmental monitoring. The inherent low Reynolds number flow in these channels often results in a parabolic velocity profile, leading to a broad residence time distribution. Achieving efficient mixing at such small scales presents unique challenges and opportunities. This review encompasses various techniques and strategies to evaluate and enhance mixing efficiency in these confined environments. It explores the significance of mixing in micro- and millichannels, highlighting its relevance for enhanced reaction kinetics, homogeneity in mixed fluids, and analytical accuracy. We discuss various mixing methodologies that have been employed to get a narrower residence time distribution. The role of channel geometry, flow conditions, and mixing mechanisms in influencing the mixing performance are also discussed. Various emerging technologies and advancements in microfluidic devices and tools specifically designed to enhance mixing efficiency are highlighted. We emphasize the potential applications of micro- and millichannels in fields of nanoparticle synthesis, which can be utilized for biological applications. Additionally, the prospects of machine learning and artificial intelligence are offered toward incorporating better mixing to achieve precise control over nanoparticle synthesis, ultimately enhancing the potential for applications in these miniature fluidic systems.

Biochemistry & Molecular Biology↗
DOE OSTI2024

Coherent diffractive imaging with twisted X-rays: Principles, applications, and outlook

Recent technological breakthroughs in synchrotron and x-ray free electron laser facilities have revolutionized nanoscale structural and dynamic analyses in condensed matter systems. This review provides a comprehensive overview of the advancements in coherent scattering and diffractive imaging techniques, which are now at the forefront of exploring materials science complexities. These techniques, notably Bragg coherent diffractive imaging and x-ray photon correlation spectroscopy, x-ray magnetic dichroism, and x-ray correlation analysis leverage beam coherence to achieve volumetric three-dimensional imaging at unprecedented sub-nanometer resolutions and explore dynamic phenomena within sub-millisecond timeframes. Such capabilities are critical in understanding and developing advanced materials and technologies. Simultaneously, the emergence of chiral crystals—characterized by their unique absence of standard inversion, mirror, or other roto-inversion symmetries—presents both challenges and opportunities. These materials exhibit distinctive interactions with light, leading to phenomena such as molecular optical activity, chiral photonic waveguides, and valley-specific light emissions, which are pivotal in the burgeoning fields of photonic and spintronic devices. This review elucidates how novel x-ray probes can be leveraged to unravel these properties and their implications for future technological applications. A significant focus of this review is the exploration of new avenues in research, particularly the shift from conventional methods to more innovative approaches in studying these chiral materials. Inspired by structured optical beams, the potential of coherent scattering techniques utilizing twisted x-ray beams is examined. This promising direction not only offers higher spatial resolution but also opens the door to previously unattainable insights in materials science. By contextualizing these advancements within the broader scientific landscape and highlighting their practical applications, this review aims to chart a course for future research in this rapidly evolving field.

Physics↗
DOE OSTI2024

When in-memory computing meets spiking neural networks—A perspective on device-circuit-system-and-algorithm co-design

This review explores the intersection of bio-plausible artificial intelligence in the form of spiking neural networks (SNNs) with the analog in-memory computing (IMC) domain, highlighting their collective potential for low-power edge computing environments. Through detailed investigation at the device, circuit, and system levels, we highlight the pivotal synergies between SNNs and IMC architectures. Additionally, we emphasize the critical need for comprehensive system-level analyses, considering the inter-dependencies among algorithms, devices, circuit, and system parameters, crucial for optimal performance. An in-depth analysis leads to the identification of key system-level bottlenecks arising from device limitations, which can be addressed using SNN-specific algorithm–hardware co-design techniques. This review underscores the imperative for holistic device to system design-space co-exploration, highlighting the critical aspects of hardware and algorithm research endeavors for low-power neuromorphic solutions.

Physics↗
DOE OSTI2024

cclib 2.0: An updated architecture for interoperable computational chemistry

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Surface reconstructions and electronic structure of metallic delafossite thin films

The growing interest in the growth and study of thin films of low-dimensional metallic delafossites, with the general formula ABO2, is driven by their potential to exhibit electronic and magnetic characteristics that are not accessible in bulk systems. The layered structure of these compounds introduces unique surface states as well as electronic and structural reconstructions, making the investigation of their surface behavior pivotal to understanding their intrinsic electronic structure. In this work, we study the surface phenomena of epitaxially grown PtCoO2, PdCoO2, and PdCrO2 films, utilizing a combination of molecular-beam epitaxy and angle-resolved photoemission spectroscopy. Through precise control of surface termination and treatment, we discover a pronounced 3×3 surface reconstruction in PtCoO2 films and PdCoO2 films, alongside a 2 × 2 surface reconstruction observed in PdCrO2 films. These reconstructions have not been reported in prior studies of delafossites. Furthermore, our computational investigations demonstrate the BO2 surface’s relative stability compared to the A-terminated surface and the significant reduction in surface energy facilitated by the reconstruction of the A-terminated surface. These experimental and theoretical insights illuminate the complex surface dynamics in metallic delafossites, paving the way for future explorations of their distinctive properties in low-dimensional studies.

Materials Science↗
DOE OSTI2024

A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations

Conducting a comprehensive molecular-level evaluation of a photoacid generator (PAG) and its subsequent impact on lithography performance can facilitate the rational design of a promising 193 nm photoresist tailored to specific requirements. In this study, we integrated spectroscopy and computational techniques to meticulously investigate the pivotal factors of three prototypical PAG anions, p-toluenesulfonate (pTS - ), 2-(trifluoromethyl)benzene-1-sulfonate (TFMBS - ), and triflate (TF - ), in the lithography process. Our findings reveal a significant redshift in the absorption spectra caused by specific PAG anions, attributed to their involvement in electronic transition processes, thereby enhancing the transparency of the standard PAG cation, triphenylsulfonium (TPS + ), particularly at ~193 nm. Furthermore, the electronic stability of PAG anions can be enhanced by solvent effects with varying degrees of strength. Here we observed the lowest vertical detachment energy of 6.6 eV of pTS - in PGMEA solution based on the polarizable continuum model, which prevents anion loss at 193 nm lithography. In addition, our findings indicate gas-phase proton affinity values of 316.4 kcal/mol for pTS - , 308.1 kcal/mol for TFMBS - , and 303.2 kcal/mol for TF - , which suggest the increasing acidity strength, yet even the weakest acid pTS - is still stronger than strong acid HBr. The photolysis of TPS + -based PAG, TPS + ·pTS - , generated an excited state leading to homolysis bond cleavage with the lowest reaction energy of 83 kcal/mol. Overall, the PAG anion pTS - displayed moderate acidity, possessed the lowest photolysis reaction energy, and demonstrated an appropriate redshift. These properties collectively render it a promising candidate for an effective acid producer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multifrequency-resolved Hanbury Brown–Twiss effect

The Hanbury Brown–Twiss (HBT) effect holds a pivotal place in intensity interferometry and gave a seminal contribution to the development of quantum optics. To observe such an effect, both good spectral and timing resolutions are necessary. Most often, the HBT effect is observed for a single frequency at a time due to its limitations in dealing with multifrequencies simultaneously, halting and limiting some applications. Here, we report a fast and data-driven spectrometer built with a one-dimensional array of single-photon-sensitive avalanche diodes. We report observing the HBT effect for multiple frequencies at the same time. In particular, we observe the HBT effect for up to five lines of the Ne spectrum, but this can be improved upon to include more lines. Our work represents a major step in making spectral binning and multifrequency HBT more widely available. The technology we present can benefit both classical and quantum applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Comparative S/TEM study of superconducting Ta quantum resonators by wet and dry etching types

Superconducting resonators play a pivotal role in various quantum technology applications, such as quantum computing and high-frequency communication systems. The performance of these resonators is closely tied to the properties of the superconducting films used in their fabrication. Here, in this study, we investigated the impact of wet and dry etching on tantalum (Ta) films leveraging advanced scanning transmission electron microscopy-based characterization methods and examined the morphological, chemical, and strain changes caused by the etching processes. Consequently, we report the significant differences between the two etching methods, with dry etching resulting in straight slanted sidewalls and a thinner oxidized layer, while wet etching produced curved sidewalls and undercuts. Both methods led to the formation of a residual Ta wedge at the lower part of the sidewall, causing lattice deformation, which could adversely influence the homogeneous operations of superconducting devices. These insights enhance our understanding of how etching influences superconducting films, offering valuable guidance for optimizing resonators and related devices. Our findings mark a significant stride in advancing quantum technologies and high-frequency communication by enhancing our practical understanding of superconducting material fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantum graph learning and algorithms applied in quantum computer sciences and image classification

Graph and network theory play a fundamental role in quantum computer sciences, including quantum information and computation. Random graphs and complex network theory are pivotal in predicting novel quantum phenomena, where entangled links are represented by edges. Quantum algorithms have been developed to enhance solutions for various network problems, giving rise to quantum graph computing and quantum graph learning (QGL). Here, in this review, we explore graph theory and graph learning methods as powerful tools for quantum computers to generate efficient solutions to problems beyond the reach of classical systems. We delve into the development of quantum complex network theory and its applications in quantum computation, materials discovery, and research. We also discuss quantum machine learning (QML) methodologies for effective image classification using qubits, quantum gates, and quantum circuits. Additionally, the paper addresses the challenges of QGL and algorithms, emphasizing the steps needed to develop flexible QGL solvers. This review presents a comprehensive overview of the fields of QGL and QML, highlights recent advancements, and identifies opportunities for future research.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Revealing the potential of nickel zinc ferrite: Facile synthesis and cost-effective anode for lithium-ion batteries

The increasing demand for lithium-ion batteries (LIBs) underscores the need for cost-effective alternative anode materials to ensure efficient Li-ion storage, given their pivotal role in various industries. This research focuses on the facile synthesis of nickel zinc ferrite (NZFO: Ni 0.65 Zn 0.35 Fe 2 O 4 ) and conducts comprehensive electrochemical analyses to evaluate its potential as a high-capacity alternative anode material for LIBs. The NZFO-CMR [sodium carboxymethyl cellulose (2%) and styrene-butadiene rubber (1%)] exhibited an initial delithiated capacity of ∼1232 mA h g −1 and maintained a stable capacity of around 358 mA h g −1 , along with an average Coulombic efficiency of 99.6% over 200 cycles. Cyclic voltammetry analysis revealed that Li-ion insertion was predominantly governed by ion diffusion, and the consistent correlation observed in electrochemical impedance spectroscopy spectra indicated stable electrochemical behavior throughout cycling. The facile synthesis approach and reasonable electrochemical performance of NZFO suggest its potential as an alternative anode material for advancing LIB's technology.

25 ENERGY STORAGE↗
DOE OSTI2025

Wide-field microwave magnetic field imaging with nitrogen-vacancy centers in diamond

Non-invasive imaging of microwave (MW) magnetic fields with microscale lateral resolution is pivotal for various applications, such as MW technologies and integrated circuit failure analysis. Diamond nitrogen-vacancy (NV) center magnetometry has emerged as an ideal tool, offering micrometer-scale resolution, millimeter-scale field of view, high sensitivity, and non-invasive imaging compatible with diverse samples. However, up until now, it has been predominantly used for imaging of static or low-frequency magnetic fields or, concerning MW field imaging, to directly characterize the same microwave device used to drive the NV spin transitions. In this work, we leverage an NV center ensemble in diamond for wide-field imaging of MW magnetic fields generated by a test device employing a differential measurement protocol. The microscope is equipped with a MW loop to induce Rabi oscillations between NV spin states, and the MW field from the device-under-test is measured through local deviations in the Rabi frequency. This differential protocol yields magnetic field maps of a 2.57 GHz MW field with a sensitivity of ∼9 μT Hz −1/2 for a total measurement duration of T=357 s, covering a 340 × 340 μm 2 field of view with a micrometer-scale spatial resolution and a device-under-test input power dynamic range of 30 dB. This work demonstrates a novel NV magnetometry protocol, based on differential Rabi frequency measurement, that extends NV wide-field imaging capabilities to imaging of weak MW magnetic fields that would be difficult to measure directly through standard NV Rabi magnetometry.

crystallographic defects↗
DOE OSTI2025

Irradiation-induced gas production in REBCO-based magnet materials used for future compact fusion reactors

Nuclear fusion is an enticing alternative to current sources of energy, with multilayered Rare-Earth Barium Copper Oxide (REBCO) coated conductors deemed pivotal in the race toward fully realized, commercially viable, and magnetic confinement fusion reactors. In this study, we simulated the ion spectrum expected to evolve from REBCO's nickel-based Hastelloy C-276 substrate and copper stabilizer in an affordable robust compact-like reactor. We then emulated this gas production through helium implantation to investigate changes in materials and superconducting properties. Our results revealed that the substrate and stabilizer are capable of producing protons energetic enough to recoil throughout the tape thickness in appreciable doses, and alphas energetic enough to deposit 7.54 × 1014 ions/cm2 or 50.1 helium appm in the superconducting layer over a 30-year reactor lifetime. The superconducting layer of SuperPower® tapes exhibited at least double the swelling rate of the other major layers, and both SuperPower and Fujikura Ltd. tapes displayed microstructural changes in the REBCO layer not observed in isotropic metals. For the estimated lifetime fluence, the Fujikura tapes showed a ∼1 K reduction in critical temperature and a 32% degradation in critical current for compact reactor-relevant conditions (16 T, 20 K). Nuclear transmutation, low-temperature solder implantations, gas-ion evolution, the influence of gas production on vortex dynamics, and other related considerations are also discussed.

Reis, Chris↗
DOE OSTI2025

Spectral decomposition of human BCL2 bonded to a PROTAC

In this study, we have decomposed the linear infrared spectra and two-dimensional infrared spectroscopy of a VHL-recruiting Proteolysis-targeting chimera (PROTAC) complex with BCL-2 to understand the spectral signatures of this complex. Our findings show that both VHL and BCL-2 units have distinct spectral signatures that contribute to the total spectra in different regions. Furthermore, we observed that the interaction between VHL and BCL-2 within the PROTAC complex leads to unique spectral features, indicating a strong synergistic effect. Through detailed analysis, specific bands were identified that correspond to the vibrational modes of the individual components, as well as their interactive modes within the complex. This study provides valuable insight into the molecular interactions within the PROTAC complex, offering a deeper understanding of its structure and function. These insights could be pivotal in designing more efficient PROTACs for targeted protein degradation in therapeutic applications.

Nauta, Wiestke [University of Groningen]↗
DOE OSTI2020

COST1 regulates autophagy to control plant drought tolerance

Plants balance their competing requirements for growth and stress tolerance via a sophisticated regulatory circuitry that controls responses to the external environments. We have identified a plant-specific gene, COST1 (constitutively stressed 1), that is required for normal plant growth but negatively regulates drought resistance by influencing the autophagy pathway. An Arabidopsis thaliana cost1 mutant has decreased growth and increased drought tolerance, together with constitutive autophagy and increased expression of drought-response genes, while overexpression of COST1 confers drought hypersensitivity and reduced autophagy. The COST1 protein is degraded upon plant dehydration, and this degradation is reduced upon treatment with inhibitors of the 26S proteasome or autophagy pathways. The drought resistance of a cost1 mutant is dependent on an active autophagy pathway, but independent of other known drought signaling pathways, indicating that COST1 acts through regulation of autophagy. In addition, COST1 colocalizes to autophagosomes with the autophagosome marker ATG8e and the autophagy adaptor NBR1, and affects the level of ATG8e protein through physical interaction with ATG8e, indicating a pivotal role in direct regulation of autophagy. We propose a model in which COST1 represses autophagy under optimal conditions, thus allowing plant growth. Under drought, COST1 is degraded, enabling activation of autophagy and suppression of growth to enhance drought tolerance. Our research places COST1 as an important regulator controlling the balance between growth and stress responses via the direct regulation of autophagy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Quantifying the contribution of Fc-mediated effector functions to the antiviral activity of anti–HIV-1 IgG1 antibodies in vivo

In combating viral infections, the Fab portion of an antibody could mediate virus neutralization, whereas Fc engagement of Fc-γ receptors (FcγRs) could mediate an array of effector functions. Evidence abounds that effector functions are important in controlling infections by influenza, Ebola, or HIV-1 in animal models. However, the relative contribution of virus neutralization versus effector functions to the overall antiviral activity of an antibody remains unknown. To address this fundamental question in immunology, here we utilized our knowledge of HIV-1 dynamics to compare the kinetics of the viral load decline (ΔVL) in infected animals given a wild-type (WT) anti–HIV-1 immunoglobulin G1 (IgG1) versus those given a Fc-Null variant of the same antibody. In three independent experiments in HIV-1–infected humanized mice and one pivotal experiment in simian–human immunodeficiency virus (SHIV)-infected rhesus macaques, an earlier and sharper decline in viral load was consistently detected for the WT antibody. Quantifications of the observed differences indicate that Fc-mediated effector functions accounted for 25–45% of the total antiviral activity in these separate experiments. In this study, Fc-mediated effector functions have been quantified in vivo relative to the contribution of virus neutralization mediated by the Fab.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Two-dimensional electronic–vibrational sum frequency spectroscopy for interactions of electronic and nuclear motions at interfaces

Significance Electronic–vibrational couplings are pivotal in many photo-induced processes at interfaces and surfaces. Two-dimensional electronic–vibrational sum frequency generation spectroscopy is a unique tool to decipher electronic–vibrational couplings for excited states of molecules at interfaces and surfaces, enabling the correlation of photo-induced electronic–vibrational manifolds with their subsequent time evolution of high-frequency vibrational modes. This technique is especially powerful to monitor ultrafast processes such as charge transfer, energy transfer, proton transfer, and proton-coupled charge transfer at interfaces and surfaces on a real-time basis.

Deng, Gang-Hua↗
DOE OSTI2021

Rapid increases in shrubland and forest intrinsic water-use efficiency during an ongoing megadrought

Significance Photosynthesis involves a tradeoff between the uptake of carbon and the loss of water. Intrinsic water-use efficiency is an indicator of this tradeoff that is pivotal for understanding plant responses to climate change. Global increases in atmospheric CO 2 concentration have increased intrinsic water-use efficiency, but this relationship is also modulated by water availability. Here, we have identified that a severe, multidecadal drought in the American Southwest has caused some of the largest increases in plant water-use efficiency ever observed. The increase was particularly large in shrubs, which dominate much of the landscape in the region. Given that water scarcity in the American Southwest is expected to worsen, these relationships have important implications for plant health and carbon and water cycling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

ENPP1’s regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling

The metazoan innate immune second messenger 2'3'-cGAMP is present both inside and outside cells. However, only extracellular cGAMP can be negatively regulated by the extracellular hydrolase ENPP1. Here, we determine whether ENPP1’s regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating stimulator of interferon genes (STING) signaling. We identified ENPP1 H362A , a point mutation that cannot degrade the 2'-5' linkage in cGAMP while maintaining otherwise normal function. The selectivity of this histidine is conserved down to bacterial nucleotide pyrophosphatase/phosphodiesterase (NPP), allowing structural analysis and suggesting an unexplored ancient history of 2'-5' cyclic dinucleotides. Enpp1 H362A mice demonstrated that extracellular cGAMP is not responsible for the devastating phenotype in ENPP1-null humans and mice but is responsible for antiviral immunity and systemic inflammation. Our data define extracellular cGAMP as a pivotal STING activator, identify an evolutionarily critical role for ENPP1 in regulating inflammation, and suggest a therapeutic strategy for viral and inflammatory conditions by manipulating ENPP1 activity.

59 BASIC BIOLOGICAL SCIENCES↗