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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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Novel Washout Filters to Enhance Simulation of Motion

We are seeking a physical simulator of a vehicle driven on the surface of a celestial body. This will be added to a virtual reality simulation. We desire that the motion of the simulator be so that the acceleration forces experienced by the vestibular system are similar to if the crew member were to actually drive the vehicle on the surface of the celestial body. But the simulator is constrained, first in its position in that it cannot travel far, and second in its orientation in that it must approximately face the same direction.

washout filter↗

DOE OSTI2026

Highly Anisotropic Quasi‐Direct Organic Metal Halide Hybrids: A Platform for Polarization‐Sensitive Optoelectronics

Low-dimensional organic–inorganic metal halide hybrids (OMHHs) exhibit remarkable optical properties and enhanced environmental stability. We investigate a 1D OMHH with formula C 4 N 2 H 14 PbBr 4 , consisting of Pb–Br chains separated by organic cations, which shows a large Stokes shift (0.83 eV) and broadband emission. Through first-principles calculations and polarized Raman spectroscopy, we characterize the material's vibrational properties and identify the specific phonon modes that drive exciton self-trapping. Our novel GW/Bethe-Salpeter equation force formalism reveals that low-frequency phonons (∼ 100 cm −1 , primarily involving Pb–Br motions) couple strongly with excitons, with a remarkably high Huang-Rhys factor of 137 ± 4, and gives a pathway for ultrafast structural analysis during the absorption process. This phonon-exciton coupling mechanism explains the material's broadband emission and provides a pathway for controlling optical properties through vibrations and for tuning vibrations through optical excitations. The material also exhibits highly anisotropic optical properties and electronic transport, with bands that are dispersive along the Pb–Br chains but nearly flat in perpendicular directions, resulting in direction-dependent electrical conductivity that is calculated to be an order of magnitude higher along the chain direction and consistent with measurements. These combined properties make this system an excellent platform for polarization-sensitive optoelectronic devices.

36 MATERIALS SCIENCE↗

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↗

NASA NTRS1974

Outline of a magnetospheric theory

Magnetospheric and auroral energy dissipation can be described in terms of electric fields and currents. It is suggested that the energy is created by an MHD generator in front of the magnetopause that derives its energy from the slowing down of the solar wind plasma. It drives a westward current in front of the eastward magnetopause surface current. The action of this generator is to produce and maintain the charge polarization that creates the dawn-to-dusk magnetospheric electric field. Various auroral phenomena are direct consequences of this electrostatic field. The source of auroral particles is magnetosheath plasma that enters the magnetotail by diffusion (violating Liouville's theorem) across the sharp boundaries of the cleft.

Heikkila, W. J.↗

NASA NTRS1975

Lunar electromagnetic scattering. IV - Transfer functions in the long-wavelength limit

The theory for asymmetric lunar magnetic induction in the long-wavelength limit, applicable to induction in the solar wind and magnetosheath plasmas at frequencies no higher than about 0.01 Hz, is presented. The lunar response to arbitrary ambient field orientations can be synthesized from the responses to field fluctuations parallel and perpendicular to the cavity axis. Radial and tangential transfer functions for a particular lunar electrical conductivity model are shown as functions of frequency and angular distance from the cavity axis for parallel and perpendicular field directions. Transfer functions based on asymmetric theory are significantly different from those based on symmetric approximations. Conductivity profiles from inversions of a given data set are strongly dependent on the theory incorporated in the inversions, the nature of the driving field, and the assumed location of the observer. Thus lunar conductivity models from surface and orbital magnetometer data, obtained either on the dayside or the nightside of the moon, must be determined using asymmetric theory.

Schwartz, K.↗

NASA NTRS1980

Teetered, tip-controlled rotor - Preliminary test results from Mod-O 100-kW experimental wind turbine

A series of tests is currently being conducted using the DOE/NASA 100 kW Experimental Wind Turbine with a two-bladed, teetered rotor with 30% span tip control. Preliminary evaluation test results indicates that the teetered rotor significantly decreases loads on the yaw drive mechanism and reduces blade cyclic flapwise bending moments by 25% at the 20% span location when compared to rigid hub rotor. The teetered hub performed well but did impact the teeter stops on occasion as wind speed and/or direction varied rapidly. The tip-controlled rotor performed satisfactorily with some expected loss of control when compared to the full span pitchable blade. The performance results indicate that a review of techniques used to calculate rotor power is in order.

Glasgow, J. C.↗

NASA NTRS1999

Diffuse Reflection of Laser Light From Clouds

Laser light reflected from an aqueous suspension of particles or "cloud" with known thickness and particle size distribution defines the "cloud radiative Green's function", G. G is sensitive to cloud thickness, allowing retrieval of that important quantity. We describe a laboratory simulation of G, useful in design of an offbeam Lidar instrument for remote sensing of cloud thickness. Clouds of polystyrene microspheres suspended in water are analogous to real clouds of water droplets suspended in air. The size distribution extends from 0.5 microns to 25 microns, roughly lognormal, similar to real clouds. Density of suspended spheres is adjusted so photon mean-free-path is about 10 cm, 1000 times smaller than in real clouds. The light source is a Nd:YAG laser at 530 nm. Detectors are flux and photon-counting PMTs, with a glass probe for precise positioning. A Labview 5 VI controls position and data acquisition, via an NI Motion Control board connected to a stepper motor driving an Edmund linear slider,and a 16-channel 16-bit NI-DAQ board. The stepper motor is accurate to 10 microns. Step size is selectable. Far from the beam, the rate of exponential increase in the beam direction scales as expected from diffusion theory, linearly with cloud thickness, and inversely as the square root of the reduced optical thickness, independent of particle size. Nearer the beam the signal increases faster than exponential and depends on particle size. Results verify 3D Monte Carlo simulations that demonstrate detectability of remotely sensed offbeam returns, without filters at night, with narrow bandpass filter in day.

Cahalan, R. F.↗

NASA NTRS2006

Improving Lightning NO(x) Parameterizations for Global Chemical Transport Models

Parameterization of lightning NO(x) in global chemical transport models requires a method to specify the temporal and geographic distribution of flash rates, an estimate of NO production per flash, and a method to specify the effective vertical distribution of NO production. Flash rate parameterizations using the upward convective cloud mass flux have been developed and tested for several GCM and assimilated meteorological data sets. This parameterization and others involving the cloud-top height and convective precipitation provide a generally acceptable climatological distribution of flashes after normalization with satellite data. However, considerable improvement in terms of geographic and temporal variability may be achieved in the future using cloud microphysics data available from next-generation GCMs. Cloud-resolving case-study simulations of convective transport and lightning NO production have yielded results which are directly applicable to the NO production per flash and the vertical NO distribution portions of the global model lightning parameterizations. In this work we have used cloud-resolving models (the Goddard Cumulus Ensemble Model (GCE) and MM5) to drive an off-line cloud-scale chemical transport model (CSCTM). The CSCTM, in conjunction with aircraft measurements of NO(x) in thunderstorms and ground-based lightning observations, has been used to constrain the amount of NO produced per flash. Observed lightning flash rates have been incorporated into the CSCTM, and several scenarios of NO production per intracloud (IC) and per cloud-to-ground (CG) flash have been tested in each of several case study storms. The resulting NO(x) mixing ratios are compared with aircraft measurements taken within the storm (typically the anvil region) to determine the most likely NO production scenario. The range of values of NO production per flash (or per meter of lightning channel length) that have been deduced from the model will be shown and compared with values of production in the literature that have been deduced from observed NO spikes and from anvil flux calculations. Results show that on a per flash basis, IC flashes are nearly as productive of NO as CG flashes. Estimates of mean NO production per flash vary by a factor of three from one simulated storm to another. Vertical profiles of lightning NOx mass at the end of the 3-D storm simulations have been summarized to yield suggested profiles for use in global models. These profiles show a larger percentage of the total lightning NO(x) mass in the free troposphere than those suggested by Pickering et al. (1998).

Pickering, Kenneth E.↗