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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Solvent-Driven Transformation of Zn/Cd 2+ -Deoxycholate Assemblies

Deoxycholic acid (DOC) is a unique, biologically derived surfactant with facial amphiphilicity that has been exploited, albeit minimally, in supramolecular assembly of materials. Here, we present the synthesis and structural characterization of three hybrid metal (Zn 2+ and Cd 2+ )-DOC compounds. Analysis by single-crystal Xray diffraction reveals the many interactions that are possible between these facial surfactants and the influence of solvent molecules that drive the assembly of materials. These structures are the first metal- DOC complexes besides those obtained from alkali and alkaline earth metals. We isolated polymeric chains of both Cd and Zn (Zn poly -DOC and Cd poly -DOC) from water. Major interactions between DOC molecules in these phases are hydrophobic in nature. Cd poly -DOC exhibits unique P1 symmetry, with complete interdigitation of the amphiphiles between neighboring polymeric chains. Zn 4 -DOC, obtained from methanol dissolution of Zn poly -DOC, features the OZn 4 tetrahedron, widely known in basic zinc acetate and MOF-5 (metal organic framework). We document a solvent-driven, roomtemperature transition between Zn poly -DOC and Zn 4 -DOC (in both directions) by scanning and transmission electron microscopies in addition to small-angle X-ray scattering, powder X-ray diffraction, and infrared spectroscopy. These studies show the methanoldriven transition of Zn poly -DOC to Zn 4 -DOC occurs via an intermediate with no long-range order of the Zn 4 clusters, indicating the strongest interactions driving assembly are intramolecular. On the contrary, water-driven solid-to-solid transformation from Zn 4 -DOC to Zn poly -DOC exhibits crystal-to-crystal transformation. Zn poly -DOC is robust, easy to synthesize, and comprised of biologically benign components, so we demonstrate dye absorption as a proxy for water treatment applications. It favors absorption of positively charged dyes. These studies advance molecular level knowledge of the supramolecular assembly of facial surfactants that can be exploited in the design of organic-inorganic hybrid materials. This research also highlights the potential of solvent for tuning supramolecular assembly processes, leading to new hybrid materials featuring facial surfactants.

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

A dynamic protein interactome drives energy conservation and electron flux in Thermococcus kodakarensis

ABSTRACT Life is supported by energy gains fueled by catabolism of a wide range of substrates, each reliant on the selective partitioning of electrons through redox ( red uction and ox idation) reactions. Electron flux through tunable and regulated protein interactions provides dynamic routes for energy conservation, but how electron flux is regulated in vivo , particularly for archaeal metabolisms that support rapid growth at the thermodynamic limits of life, is poorly understood. Identification of bona fide in vivo protein assemblies and how such assemblies dictate the totality of electron flux is critical to our understanding of the regulation imposed on metabolism, energy production, and energy conservation. Here, 25 key proteins in central metabolic redox pathways in the model, genetically accessible, hyperthermophilic archaeon Thermococcus kodakarensis , were purified to reveal an extensive, dynamic, and tightly interconnected network of protein interactions that responds to environmental cues (such as the availability of various reductive sinks) to direct electron flux to maximize energetic gains. Interactions connecting disparate functions suggest many catabolic and anabolic activities occur in spatial proximity in vivo , and while protein complexes have been historically defined under optimal conditions, many of these complexes appear to maintain alternative partnerships in changing conditions. The totality of the results obtained redefines our understanding of in vivo assemblies driving ancient metabolic strategies supporting the growth of modern Archaea. IMPORTANCE Given the potential for rational genetic manipulations of biofuel- and biotech-promising archaea to yield transformative results for major markets, it is a priority to define how the metabolisms of such species are controlled, at least in part, by in vivo protein assemblies, and from such, define routes of energy flux that can be most efficiently altered toward biofuel or biotechnological gains. Proteinaceous electron carriers (PECs, such as ferredoxins) offer the potential for specific protein–protein interactions to coordinate selective reductive flow. Employing the model, genetically accessible, hyperthermophilic archaeon, Thermococcus kodakarensis , we establish the metabolic protein interactome of 25 key redox proteins, revealing that each redox active protein has a dynamic partnership profile, suggesting catabolic and anabolic activities may occur in concert and in temporal and spatial proximity in vivo . These results reveal critical importance in evaluating the newly identified partnerships and their role and utility in providing regulated redox flux in T. kodakarensis .

Williams, Sere A. (ORCID:0000000235509590)↗
DOE OSTI2024

Synergistic Assembly of Charged Oligomers and Amino Acids at the Air–Water Interface: An Avenue toward Surface-Directed CO 2 Capture

Interfaces are considered a major bottleneck in the capture of CO 2 from air. Efforts to design surfaces to enhance CO 2 capture probabilities are challenging due to the remarkably poor understanding of chemistry and self-assembly taking place at these interfaces. In this report we leverage surface-specific vibrational spectroscopy, Langmuir trough techniques, and simulations to mechanistically elucidate how cationic oligomers can drive surface localization of amino acids (AAs) that serve as CO 2 capture agents speeding up the apparent rate of absorption. We demonstrate how tuning these interfaces provides a means to facilitate CO 2 capture chemistry to occur at the interface, while lowering surface tension and improving transport/reaction probabilities. We show that in the presence of interfacial AA-rich aggregates, one can improve capture probabilities vs that of a bare interface, which holds promise in addressing climate change through the removal of CO 2 via tailored interfaces and associated chemistries.

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

Bridging Thermal Catalysis and Electrocatalysis: Catalyzing CO 2 Conversion with Carbon-Based Materials

Understanding the differences between reactions driven by elevated temperature or electric potential remains challenging, largely due to materials incompatibilities between thermal catalytic and electrocatalytic environments. In this work, we show that Ni, N-doped carbon (NiPACN), an electrocatalyst for the reduction of CO 2 to CO (CO 2 R), can also selectively catalyze thermal CO 2 to CO via the reverse water gas shift (RWGS) representing a direct analogy between catalytic phenomena across the two reaction environments. Advanced characterization techniques reveal that NiPACN likely facilitates RWGS on dispersed Ni sites in agreement with CO 2 R active site studies. Finally, we construct a generalized reaction driving-force that includes temperature and potential and suggest that NiPACN could facilitate faster kinetics in CO 2 R relative to RWGS due to lower intrinsic barriers. This report motivates further studies that quantitatively link catalytic phenomena across disparate reaction environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Self-oscillating synchronematic colloids

Self-oscillators that sustain periodic dynamics under constant input are ubiquitous in natural and engineered systems, where their interactions enable spatiotemporal coordination among many individual units. New forms of organization can emerge when these self-oscillating units are free to move and rotate, coupling their spatial arrangement and alignment with their oscillation frequencies and phases. Here, we report experiments and simulations on populations of Quincke colloids that behave as self-oscillating units with position, orientation, frequency, and phase. Depending on the initial distribution, these active oscillators spontaneously organize into distinct collective states characterized by temporal synchronization and directional alignment, which we term synchronematic order. In fluid-like clusters, this order is short-ranged and decays over a length scale set by the competition between hydrodynamic interactions and athermal noise. In crystalline clusters, these interactions drive flobal synchronization and circular alignment-synchronematic crystals-whose collective frequency increases with cluster size due to non-reciprocal interactions. Our results establish self-oscillating colloids as a model system for active oscillatory matter and reveal fundamental principles by which synchronization, alignment, and structure co-emerge, offering new pathways for designing adaptive, frequency-tunable materials.

colloids↗
DOE OSTI2023

Soil microbiome engineering for sustainability in a changing environment

Recent advances in microbial ecology and synthetic biology have the potential to mitigate damage caused by anthropogenic activities that are deleteriously impacting Earth’s soil ecosystems. Here, we discuss challenges and opportunities for harnessing natural and synthetic soil microbial communities, focusing on plant growth promotion under different scenarios. We explore current needs for microbial solutions in soil ecosystems, how these solutions are being developed and applied, and the potential for new biotechnology breakthroughs to tailor and target microbial products for specific applications. We highlight several scientific and technological advances in soil microbiome engineering, including characterization of microbes that impact soil ecosystems, directing how microbes assemble to interact in soil environments, and the developing suite of gene-engineering approaches. This Review underscores the need for an interdisciplinary approach to understand the composition, dynamics and deployment of beneficial soil microbiomes to drive efforts to mitigate or reverse environmental damage by restoring and protecting healthy soil ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Interfaces in rechargeable magnesium batteries

Here, this minireview provides a concise overview on the development of electrolytes for rechargeable magnesium (Mg) batteries. It elucidates the intrinsic driving force of the evolution from Grignard-based electrolytes to electrolytes based on simple Mg salts. Additional discussion includes the key electrochemical processes at the interfaces in Mg electrolytes, with a focus on unaddressed issues and future research directions.

25 ENERGY STORAGE↗
DOE OSTI2023

A study of explosive-induced fracture in polymethyl methacrylate (PMMA)

The fracture response of geologic materials is of interest for applications, including geothermal energy harnessing and containment of underground explosions. To better understand the explosively induced fracture response of geomaterials, polymethyl methacrylate (PMMA) was used as a transparent rock surrogate to allow imaging of internal shock propagation and fracture growth processes. Experiments were conducted using high-speed shadowgraphy and photon Doppler velocimetry (PDV), which were compared to numerical simulations. Experiments measured fractures produced in 304.8mm × 304.8mm × 304.8mm PMMA cubes with two simultaneously initiated detonators. The cubes were subjected to varying amounts and directions of externally applied uniaxial stresses, including no stress, 2 MPa stress, and 20 MPa stress. The fracture radius as a function of time was extracted from the high-speed videos. Post-test images of the PMMA cubes aided in the determination of three-dimensional effects not directly imaged by the cameras. The surface velocity history and the shock response captured in PDV and the high-speed videos were compared to the simulated explosive-induced shock response. The simulation results indicate that the shock drives the fracture for the first 20 μs corresponding to a fracture radius of approximately 15 mm in the experiments. The gas-driven fracture extent was estimated analytically using an equilibrium stress distribution calculated after the shock wave propagation through the sample. Reduction in the gas pressure due to the leakage of the explosive products through the crack as a function of time was accounted for. In conclusion, the estimated fracture lengths were in agreement with the experimentally observed fracture lengths.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Experimental realization of classical Z 2 spin liquids in a programmable quantum device

We build and probe a Z 2 spin liquid in a programmable quantum device, the D-Wave DW-2000Q. Specifically, we observe the classical eight-vertex and six-vertex (spin ice) states and transitions between them. To realize this state of matter, we design a Hamiltonian with combinatorial gauge symmetry using only pairwise-qubit interactions and a transverse field, i.e., interactions which are accessible in this quantum device. The combinatorial gauge symmetry remains exact along the full quantum annealing path, landing the system onto the classical eight-vertex model at the endpoint of the path. The output configurations from the device allow us to directly observe the loop structure of the classical model. Moreover, we deform the Hamiltonian so as to vary the weights of the eight vertices and show that we can selectively attain the classical six-vertex (ice) model, or drive the system into a ferromagnetic state. Additionally, we present studies of the classical phase diagram of the system as a function of the eight-vertex deformations and effective temperature, which we control by varying the relative strengths of the programmable couplings, and we show that the experimental results are consistent with theoretical analysis. Finally, we identify additional capabilities that, if added to these devices, would allow us to realize Z 2 quantum spin liquids on which to build topological qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Online Parameter Estimation Methods for Adaptive Cruise Control Systems

Modeling Adaptive Cruise Control (ACC) vehicles enables the understanding of the impact of these vehicles on traffic flow. In this work, two online methods are used to provide real time system identification of ACC enabled vehicles. The first technique is a recursive least squares (RLS) approach, while the second method solves a nonlinear joint state and parameter estimation problem via particle filtering (PF). We provide a parameter identifiability analysis for both methods to analytically show that the model parameters are not identifiable using equilibrium driving. The accuracy and computational runtime of the online methods are compared to a commonly used offline simulation-based optimization (i.e., batch optimization) approach. The methods are tested on synthetic data as well as on empirical data collected directly from a 2019 model year ACC vehicle using data from sensors that are part of the stock ACC system. The online methods are scalable and provide comparable accuracy to the batch method. RLS runs in real time and is two orders of magnitude faster than the batch method for modest sized (e.g., 15 min) datasets. The particle filter also runs in real- time, and is also suitable in streaming applications in which the datasets can grow arbitrarily large.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Electronic Origin of T c in Bulk and Monolayer FeSe

FeSe is classed as a Hund’s metal, with a multiplicity of d bands near the Fermi level. Correlations in Hund’s metals mostly originate from the exchange parameter J, which can drive a strong orbital selectivity in the correlations. The Fe-chalcogens are the most strongly correlated of the Fe-based superconductors, with d xy the most correlated orbital. Yet little is understood whether and how such correlations directly affect the superconducting instability in Hund’s systems. By applying a recently developed ab initio theory, we show explicitly the connections between correlations in d xy and the superconducting critical temperature T c . Starting from the ab initio results as a reference, we consider various kinds of excursions in parameter space around the reference to determine what controls T c . We show small excursions in J can cause colossal changes in T c . Additionally we consider changes in hopping by varying the Fe-Se bond length in bulk, in the free standing monolayer M-FeSe, and M-FeSe on a SrTiO 3 substrate (M-FeSe/STO). The twin conditions of proximity of the dxy state to the Fermi energy, and the strength of J emerge as the primary criteria for incoherent spectral response and enhanced single- and two-particle scattering that in turn controls T c . Using c-RPA, we show further that FeSe in monolayer form (M-FeSe) provides a natural mechanism to enhance J. We explain why M-FeSe/STO has a high T c , whereas M-FeSe in isolation should not. Our study opens a paradigm for a unified understanding what controls Tc in bulk, layers, and interfaces of Hund’s metals by hole pocket and electron screening cloud engineering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Motor and drive arrangement for refrigeration system

A heat exchanger system includes a heat exchanger coil circulating a first heat transfer fluid therethrough, and a fan at least partially surrounded by the heat exchanger coil to urge a flow of air through the heat exchanger coil to dissipate thermal energy from the first heat transfer fluid. A brushless direct current fan motor is located the fan to urge rotation of the fan and an ancillary electrical component operably connected to the heat exchanger system and electrically isolated from the first heat transfer fluid.

Feng, Yinshan↗
DOE OSTI2020

Filtering adaptive output feedback control for multivariable nonlinear systems with mismatched uncertainties and unmodeled dynamics

This article synthesizes a filtering adaptive output feedback controller for multivariable nonlinear systems with mismatched uncertainties and unmodeled dynamics. The multivariable nonlinear systems under consideration have both matched and mismatched uncertainties, which satisfy the semiglobal Lipschitz condition. The unmodeled dynamics are bounded-input bounded-output stable. By adopting an estimation/cancellation strategy, a piecewise constant adaptive law drives the estimation error to zero at every time instant, which yields the adaptive parameters; a disturbance rejection control law is designed to compensate the nonlinear uncertainties within the bandwidth of low-pass filters. The matched uncertainties are cancelled directly by adopting their opposite in the control signal, while a dynamic inversion of the system is required to eliminate the effect of the mismatched uncertainties on the output. A feedforward control law is designed to track a given command. Since the virtual reference system defines the best performance that can be achieved by the closed-loop system, the uniform performance bounds are derived for the states and control signals via comparison. Both numerical and practical examples are provided to illustrate the effectiveness of the proposed filtering adaptive output feedback control architecture, comparisons with the model reference adaptive control demonstrates the superiority of the proposed control method.

filtering adaptive control, mismatched uncertainit↗
DOE OSTI2024

Shielding development for the spallation neutron source VENUS instrument

VENUS is a neutron imaging instrument that will use a broad range of neutron wavelengths, from epithermal to cold energies, and will include enhanced contrast mechanisms. It will offer novel energy-selective imaging techniques directly connecting complex engineering materials and systems’ structures, properties, and functions to reveal practical and fundamental answers about their real-world performance. Here, the instrument will be built at SNS beamline 10, facing the decoupled poisoned hydrogen moderator. The driving cost for the instrument is the beamline and instrument cave shielding. Final analyses were performed to evaluate the thickness and composition of shielding materials for the instrument cave and beamline to meet radiation safety criteria for the instrument to start up in 2024 after completing the SNS proton power upgrade.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Estimating Interplanetary Magnetic Field Conditions at Mercury's Orbit From MESSENGER Magnetosheath Observations Using a Feedforward Neural Network

Abstract Mercury's small magnetosphere is embedded in the dynamic and intense solar wind environment characteristic of the inner heliosphere. Both the magnitude and orientation of the interplanetary magnetic field (IMF) significantly influence the solar wind‐magnetospheric interaction at Mercury, driving phenomena such as magnetic reconnection. The MErcury Surface, Space Environment, Geochemistry and Ranging (MESSENGER) spacecraft provided in‐situ magnetic field measurements of the solar wind, the magnetosheath, and the magnetosphere along each orbit. However, it is a challenge to directly assess the IMF's impact on Mercury's plasma environment due to the temporal separation between observations within the solar wind and the magnetosphere, especially in the absence of an upstream monitor. Here, we present a feedforward neural network (FNN) trained on a subset of magnetosheath observations to estimate the strength and orientation of the IMF upstream of the bow shock. Utilizing magnetosheath magnetic field, cylindrical spatial coordinates, and heliocentric distance measurements, the FNN predicts upstream IMF conditions with an score of 0.70 and mean averaged error of 5.3 nT, thereby greatly decreasing the temporal separation between IMF estimates and magnetospheric measurements throughout the MESSENGER mission. This approach yields IMF estimates for all magnetosheath data measured by MESSENGER, providing a useful tool for future investigations of the IMF impact on Mercury's magnetosphere. This method will be integrable with the dual‐spacecraft BepiColombo magnetosheath measurements, providing useful estimates of upstream IMF conditions particularly during the extended periods in which neither spacecraft sample the solar wind. Our results demonstrate the utility of machine learning techniques on advancing space science research.

Bowers, Charles F.↗
DOE OSTI2020

Low-spin cobalt(ii) redox shuttle by isocyanide coordination

Coordination of the strong-field ligand 2,6-dimethylphenyl isocyanide (DMP-CN) to the Co(PY5Me 2 ) framework, where PY5Me 2 represents the pentadentate ligand 2,6-bis(1,1-bis(2-pyridyl)ethyl)pyridine, has resulted in a new low-spin Co(II) complex with a relatively low reorganization energy and fast electron-transfer kinetics compared to the prototypical cobalt tris-bipyridine redox shuttle, [Co(bpy) 3 ] 3+/2+ , where bpy represents 2,2'-bipyridine. Despite nearly 160 mV reduced regeneration driving force, the [Co(PY5Me 2 )(DMP-CN)]3+/2+ redox shuttle displayed an increased regeneration efficiency relative to [Co(bpy)3] 3+/2+ , however recombination losses hinder the performance as evidenced by a reduced recombination resistance. Finally, future directions point to low-spin Co(II) redox shuttles with more negative redox potentials to be paired with a dye or dye mixture that absorbs into the near infrared region.

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

Measuring magnetic fields in laser-driven coils with dual-axis proton deflectometry

Abstract By driving hot electrons between two metal plates connected by a wire loop, high power lasers can generate multi-tesla, quasi-static magnetic fields in miniature coil targets. Many experiments involving laser-coil targets rely on proton deflectometry directed perpendicular to the coil axis to extract a measurement of the magnetic field. In this paper, we show that quantitative measurements using perpendicular probing are complicated by the presence of GV m −1 electric fields in the target that develop on sub-ns timescales. Probing parallel to the coil axis with fiducial grids is shown to reliably separate the electric and magnetic field measurements, giving current estimates of I ≈ 5 kA in 1 mm- and 2 mm-diameter wire loops. An analytic model of proton deflection in electric and magnetic fields is used to benchmark results from the particle-in-cell code and help deconvolve the magnetic and electric field deflections. Results are used to motivate a new experimental scheme that combines a single-plate target with axial proton probing and direct current measurements. This scheme has several important advantages over the traditional target and diagnostic set-up, enabling the robust measurement of coil magnetic fields and plasma properties, as well as making it easier to validate different theoretical models at a range of laser intensities.

Bradford, P. (ORCID:0000000296186342)↗
DOE OSTI2023

Accounting for herbaceous communities in process‐based models will advance our understanding of “grassy” ecosystems

Abstract Grassland and other herbaceous communities cover significant portions of Earth's terrestrial surface and provide many critical services, such as carbon sequestration, wildlife habitat, and food production. Forecasts of global change impacts on these services will require predictive tools, such as process‐based dynamic vegetation models. Yet, model representation of herbaceous communities and ecosystems lags substantially behind that of tree communities and forests. The limited representation of herbaceous communities within models arises from two important knowledge gaps: first, our empirical understanding of the principles governing herbaceous vegetation dynamics is either incomplete or does not provide mechanistic information necessary to drive herbaceous community processes with models; second, current model structure and parameterization of grass and other herbaceous plant functional types limits the ability of models to predict outcomes of competition and growth for herbaceous vegetation. In this review, we provide direction for addressing these gaps by: (1) presenting a brief history of how vegetation dynamics have been developed and incorporated into earth system models, (2) reporting on a model simulation activity to evaluate current model capability to represent herbaceous vegetation dynamics and ecosystem function, and (3) detailing several ecological properties and phenomena that should be a focus for both empiricists and modelers to improve representation of herbaceous vegetation in models. Together, empiricists and modelers can improve representation of herbaceous ecosystem processes within models. In so doing, we will greatly enhance our ability to forecast future states of the earth system, which is of high importance given the rapid rate of environmental change on our planet.

59 BASIC BIOLOGICAL SCIENCES↗