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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Analytical model for the motion and interaction of two-dimensional active nematic defects

Here, we develop an approximate, analytical model for the velocity of defects in active nematics by combining recent results for the velocity of topological defects in nematic liquid crystals with the flow field generated from individual defects in active nematics. Importantly, our model takes into account the long-range interactions between defects that result from the flows they produce as well as the orientational coupling between defects inherent in nematics. Our work complements previous studies of active nematic defect motion by introducing a linear approximation that allows us to treat defect interactions as two-body interactions and incorporates the hydrodynamic screening length as a tuning parameter. We show that the model can analytically predict bound states between two +1/2 winding number defects, effective attraction between two –1/2 defects, and the scaling of a critical unbinding length between ±1/2 defects with activity. The model also gives predictions for the trajectories of defects, such as the scattering of +1/2 defects by –1/2 defects at a critical impact parameter that depends on activity. In the presence of circular confinement, the model predicts a braiding motion for three +1/2 defects that was recently seen in experiments, as well as stable and ergodic trajectories for four or more defects.

36 MATERIALS SCIENCE↗
NASA NTRS1990

The spatial distribution of p-mode absorption in active regions

The interaction of solar p-mode waves and active regions has been the subject of recent observational and theoretical investigations. Observations show that up to one-half of the power of incident high-degree acoustic may be absorbed in and around sunspots. In this paper the horizontal spatial distribution of high-degree p-mode absorption in solar active regions is explored. An appropriate Fourier-Hankel transform can be used to detect the mean absorption of waves passing through any given point on the solar surface. By repeating the analysis at multiple positions a map of the absorption can be constructed. A technique for optimal computation of absorption maps is developed and applied to observations of several active regions and an area of quiet sun near disk center. By comparing the distribution of p-mode absorption with magnetograms and line-wing intensity images, it is directly observed that the absorption is not limited to the location of the visible sunspots but is also associated with magnetic fields in the surrounding plage. It is estimated that the absorption efficiency scales roughly with the magnetic flux density, although the absorption appears to saturate inside the strongest fields.

Braun, D. C.↗
DOE OSTI2025

Deciphering Catalyst–Support Interaction via Doping for Highly Active and Durable Oxygen Evolution Catalysis

The design of oxygen evolution reaction (OER) electrocatalysts demands a delicate balance between activity and stability. Here, in this study, we present a rational design approach that leverages catalyst-support interactions to enhance both the intrinsic activity and durability of Ir-based catalysts. Our study reveals that while Mo doping energetically promotes the formation of high-valent Ir species, enhancing intrinsic catalytic activity, it also leads to a reduction in electrical conductivity. These findings emphasize that supporting doping can introduce both beneficial and limiting effects, highlighting the need for a carefully balanced design strategy to optimize the overall OER performance. Simultaneously, in situ analytical techniques and comparative evaluation reveal the crucial role of oxide supports in stabilizing the catalyst. These findings highlight the pivotal role of interface engineering in maintaining catalyst integrity and the need for support materials that balance dopant-driven electronic promotion with structural and electrochemical robustness. These interconnected degradation pathways highlight the need to move beyond a catalyst-centric view and instead adopt a system-level understanding of the stability. Our approach offers a strong foundation for the rational design and evaluation of high-performance OER electrocatalysts for electrochemical energy applications.

Kim, Jinyeop [Korea Advanced Inst. Science and Tec↗
NASA NTRS1979

Interactions between spacecraft and the charged-particle environment

Spacecraft-environment interactions are defined as the responses of a spacecraft surface to a charged-particle environment. This response can influence spacecraft system performance. Interactions can be divided into two broad categories: spacecraft passive, in which the environment acts on the spacecraft; and spacecraft active, in which the spacecraft causes the interaction. Passive interactions include the spacecraft-charging phenomenon. Active interactions include the relatively new interactions arising from the use of very large spacecraft and space power systems in future missions. To illustrate active interactions, a large power system operating at elevated voltages is considered. Possible interactions are described, available experimental data are reviewed, and the effect on power system performance is estimated.

Stevens, N. J.↗
DOE OSTI2025

Seasonal changes in occupancy and activity patterns in native Collared Peccary and non-native wild pig and Common Warthog in southern Texas, the United States

Abstract Southern Texas, USA, is home to native collared peccaries (Dicotyles tajacu) and introduced populations of invasive wild pigs (generally Sus scrofa × domesticus hybrids) and non-native African warthogs (Phacochoerus africanus). Although these ecologically similar mammals co-occur in this region, the potential impacts of invasive suids on collared peccaries are poorly understood. We examined co-occupancy and activity pattern overlap of collared peccaries, wild pigs, and warthogs across 3 seasons (fall, winter, and spring) using remote camera data collected from Chaparral Wildlife Management Area, Cotulla, Texas (November 2020 to June 2021). Using activity pattern analyses and single and 2-species occupancy models incorporating habitat and climate characteristics, we found evidence of extensive spatial overlap between all species pairs and varying degrees of temporal overlap depending on species pairs and season. Collared peccaries and wild pigs displayed moderate temporal overlap across all seasons. Collared peccaries appeared to alter fall activity in the presence of wild pigs to be active earlier in the morning and less active during the day. Collared peccaries and warthogs had low-to-moderate temporal overlap (low in fall, winter; moderate in spring). Wild pigs and warthogs had low temporal overlap (fall, spring) and wild pigs appeared to alter activity in the presence of warthogs (fall), becoming less active during the day during peak warthog activity. Overall, our results suggest that peccary, wild pig, and warthog interactions and activity are dynamic and vary seasonally according to the ecology and preferred environmental conditions of each species. Given the potential for interspecific competition and disease transmission with Collared Peccary and other native wildlife, resource partitioning between wild pigs and warthogs needs to be further examined to aid in effective management strategies.

Kupferman, Caitlin A. (ORCID:0009000953554860)↗
DOE OSTI2024

The CNK–HYP scaffolding complex promotes RAF activation by enhancing KSR–MEK interaction

The RAS–MAPK pathway regulates cell proliferation, differentiation and survival, and its dysregulation is associated with cancer development. The pathway minimally comprises the small GTPase RAS and the kinases RAF, MEK and ERK. Activation of RAF by RAS is notoriously intricate and remains only partially understood. There are three RAF isoforms in mammals (ARAF, BRAF and CRAF) and two related pseudokinases (KSR1 and KSR2). RAS-mediated activation of RAF depends on an allosteric mechanism driven by the dimerization of its kinase domain. Recent work on human RAFs showed that MEK binding to KSR1 promotes KSR1–BRAF heterodimerization, which leads to the phosphorylation of free MEK molecules by BRAF. Similar findings were made with the single Drosophila RAF homolog. Here we show that the fly scaffold proteins CNK and HYP stabilize the KSR–MEK interaction, which in turn enhances RAF–KSR heterodimerization and RAF activation. The cryogenic electron microscopy structure of the minimal KSR–MEK–CNK–HYP complex reveals a ring-like arrangement of the CNK–HYP complex allowing CNK to simultaneously engage KSR and MEK, thus stabilizing the binary interaction. Together, these results illuminate how CNK contributes to RAF activation by stimulating the allosteric function of KSR and highlight the diversity of mechanisms impacting RAF dimerization as well as the regulatory potential of the KSR–MEK interaction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Macroscale Control of Reactivity using 3D Printed Materials with Intrinsic Catalytic Properties

The morphology of heterogeneous catalysts can impact their performance. However, standard manufacturing methods like extrusion or pelleting offer little options for tailoring catalyst shape. Herein, stereolithographic 3D printing is used to produce catalysts with controlled topologies to enhance their performance. A series of magnetic stir-bar compartments (SBC) were 3D printed and tested as catalysts for sucrose hydrolysis. The SBC were printed using acrylic acid (AA) and 1,6-hexanediol diacrylate (HDDA) as acid sites and hydrophobic crosslinking domains, respectively. Variations in the number and tilt direction of the SBC blades produced significant changes in their apparent catalytic activities. These changes resulted from differences in the fraction of active surface effectively interacting with the reactants in solution, as revealed by computational fluid dynamics simulations. Moreover, varying HDDA:AA ratios in SBC regulated reactant-surface interactions to control catalytic activity. Overall, 3D printing catalysts enables quick performance optimization by simultaneously controlling macroscopic structure and molecular composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

TEM Analyses of Itokawa Regolith Grains and Lunar Soil Grains to Directly Determine Space Weathering Rates on Airless Bodies

Samples returned from the moon and Asteroid Itokawa by NASA's Apollo Missions and JAXA's Hayabusa Mission, respectively, provide a unique record of their interaction with the space environment. Space weathering effects result from micrometeorite impact activity and interactions with the solar wind. While the effects of solar wind interactions, ion implantation and solar flare particle track accumulation, have been studied extensively, the rate at which these effects accumulate in samples on airless bodies has not been conclusively determined. Results of numerical modeling and experimental simulations do not converge with observations from natural samples. We measured track densities and rim thicknesses of three olivine grains from Itokawa and multiple olivine and anorthite grains from lunar soils of varying exposure ages. Samples were prepared for analysis using a Leica EM UC6 ultramicrotome and an FEI Quanta 3D dual beam focused ion beam scanning electron microscope (FIB-SEM). Transmission electron microscope (TEM) analyses were performed on the JEOL 2500SE 200kV field emission STEM. The solar wind damaged rims on lunar anorthite grains are amorphous, lack inclusions, and are compositionally similar to the host grain. The rim width increases as a smooth function of exposure age until it levels off at approximately 180 nm after approximately 20 My (Fig. 1). While solar wind ion damage can only accumulate while the grain is in a direct line of sight to the Sun, solar flare particles can penetrate to mm-depths. To assess whether the track density accurately predicts surface exposure, we measured the rim width and track density in olivine and anorthite from the surface of rock 64455, which was never buried and has a surface exposure age of 2 My based on isotopic measurements. The rim width from 64455 (60-70nm) plots within error of the well-defined trend for solar wind amorphized rims in Fig. 1. Measured solar flare track densities are accurately reflecting the surface exposure of the grains. Track densities correlate with the amorphous rim thicknesses. While the space-weathered rims of anorthite grains are amorphous, the space-weathered rims on both Itokawa and lunar olivine grains show solar wind damaged rims that are not amorphous. Instead, the rims are nanocrystalline with high dislocation densities and sparse inclusions of nanophase Fe metal. The rim thicknesses on the olivine grains also correlate with track density. The Itokawa olivine grains have track densities that indicate surface exposures of approximately 10(exp 5) years. Longer exposures (up to approximately 10(exp 7) years) do not amorphize the rims, as evidenced by lunar soil olivines with high track densities (approximately 10(exp 11) cm(exp -2)). From the combined data, shown in Fig. 1, it is clear that olivine is damaged (but not amorphized) more rapidly by the solar wind compared to anorthite. The olivine damaged rim forms quickly (in approximately 10(exp 6) y) and saturates at approximately 120nm with longer exposure time. The anorthite damaged rims form more slowly, amorphize, and grow thicker than the olivine rims. This is in agreement with numerical modeling data which predicts that solar wind damaged rims on anorthite will be thicker than olivine. However, the models predict that both olivine and anorthite rims will amorphize and reach equilibrium widths in less than 10(exp 3) y, in contrast to what is observed for natural samples. Laboratory irradiation experiments, which show rapid formation of fully amorphous and blistered surfaces from simulated solar wind exposures are also in contrast to observations of natural samples. These results suggest that there is a flux dependence on the type and extent of irradiation damage that develops in olivine. This flux dependence suggests that great caution be used in extrapolating between high-flux laboratory experiments and the natural case, as demonstrated by. We constrain the space weathering rate through analysis of returned samples. Provided that the track densities and the solar wind damaged rim widths exhibited by the Itokawa grains are typical of the fine-grained regions of Itokawa, then the space weathering rate is on the order of 10(exp 5) y. Space weathering effects in lunar soils saturate within a few My of exposure while those in Itokawa regolith grains formed in approximately 10(exp 5) y. Olivine and anorthite respond differently to solar wind irradiation. The space weathering effects in olivine are particularly difficult to reconcile with laboratory irradiation studies and numerical models. Additional measurements, experiments, and modeling are required to resolve the discrepancies among the observations and calculations involving solar wind amorphization of different minerals on airless bodies.

Berger, Eve L.↗
NASA NTRS2003

Ising model of cardiac thin filament activation with nearest-neighbor cooperative interactions

We have developed a model of cardiac thin filament activation using an Ising model approach from equilibrium statistical physics. This model explicitly represents nearest-neighbor interactions between 26 troponin/tropomyosin units along a one-dimensional array that represents the cardiac thin filament. With transition rates chosen to match experimental data, the results show that the resulting force-pCa (F-pCa) relations are similar to Hill functions with asymmetries, as seen in experimental data. Specifically, Hill plots showing (log(F/(1-F)) vs. log [Ca]) reveal a steeper slope below the half activation point (Ca(50)) compared with above. Parameter variation studies show interplay of parameters that affect the apparent cooperativity and asymmetry in the F-pCa relations. The model also predicts that Ca binding is uncooperative for low [Ca], becomes steeper near Ca(50), and becomes uncooperative again at higher [Ca]. The steepness near Ca(50) mirrors the steep F-pCa as a result of thermodynamic considerations. The model also predicts that the correlation between troponin/tropomyosin units along the one-dimensional array quickly decays at high and low [Ca], but near Ca(50), high correlation occurs across the whole array. This work provides a simple model that can account for the steepness and shape of F-pCa relations that other models fail to reproduce.

Evaluation Studies↗
DOE OSTI2021

Exploring the Interaction Between Head-Supported Mass, Posture, and Visual Stress on Neck Muscle Activation

Objective Assess neck muscle activity for varying interactions between helmet, posture, and visual stress in a simulated “helo-hunch” posture. Background Military aviators frequently report neck pain (NP). Risk factors for NP include head-supported mass, awkward postures, and mental workload. Interactions between these factors could induce constant low-level muscle activation during helicopter flight and better explain instances of NP. Method Interactions between physical loading (helmet doffed/donned), posture (symmetric/asymmetric), and visual stress (low/high contrast) were studied through neck muscle electromyography (EMG), head kinematics, subjective discomfort, perceived workload, and task performance. Subjects ( n = 16) performed eight 30-min test conditions (varied physical loading, posture, and visual stress) while performing a simple task in a simulated “helo-hunch” seating environment. Results Conditions with a helmet donned had fewer EMG median frequency cycles (which infer motor unit rotation for rest/recovery, where more cycles are better) in the left cervical extensor and left sternocleidomastoid. Asymmetric posture (to the right) resulted in higher normalized EMG activity in the right cervical extensor and left sternocleidomastoid and resulted in less lateral bending compared with neutral across all conditions. Conditions with high visual stress also resulted in fewer EMG cycles in the right cervical extensor. Conclusion A complex interaction exists between the physical load of the helmet, postural stress from awkward postures, and visual stress within a simulated “helo-hunch” seating environment. Application These results provide insight into how visual factors influence biomechanical loading. Such insights may assist future studies in designing short-term administrative controls and long-term engineering controls.

Behavioral Sciences↗
DOE OSTI2023

Microdynamics of active particles in defect-rich colloidal crystals

Hypothesis. Because they are self-propulsive, active colloidal particles can interact with their environment in ways that differ from passive, Brownian particles. Here, we explore how interactions in different microstructural regions may contribute to colloidal crystal annealing. Experiments. We investigate active particles propagating in a quasi-2D colloidal crystal monolayer produced by alternating current electric fields (active-to-passive particle ratio ~ 1:720). The active particle is a platinum Janus sphere propelled by asymmetric decomposition of hydrogen peroxide. Crystals are characterized for changes in void properties. The mean-squared-displacement of Janus particles are measured to determine how active microdynamics depend on the local microstructure, which is comprised of void regions, void-adjacent regions (defined as within three particle diameters of a void), and interstitial regions. Findings. At active particle energy E A = 2.55 k B T, the average void size increases as much as three times and the average void anisotropy increases about 40% relative to the passive case. Further, the average microdynamical enhancement, <δ(t)>, of Janus particles in the crystal relative to an equivalent passive Janus particle is reduced compared to that of a free, active particle (<δ(t) > is 1.88 ± 0.04 and 2.66 ± 0.08, respectively). The concentration of active particles is enriched in void and void-adjacent regions. Active particles exhibit the greatest change in dynamics relative to the passive control in void-adjacent regions (<δ(t)> = 2.58 ± 0.06). The results support the conjecture that active particle microdynamical enhancement in crystal lattices is affected by local defect structure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hydrogen in Nanocatalysis

Hydrogen is ubiquitous in catalysis. It is involved in many important reactions such as water splitting, N 2 reduction, CO 2 reduction, and alkane activation. In this Perspective, we focus on the hydrogen atom and follow its electron as it interacts with a catalyst or behaves as part of a catalyst from a computational point of view. In this work, we present recent examples in both nanocluster and solid catalysts to elucidate the parameters governing the strength of the hydrogen–surface interactions based on site geometry and electronic structure. We further show the interesting behavior of hydride in nanometal and oxides for catalysis. Overall, the key take-home messages are: (1) the in-the-middle electronegativity and small size of hydrogen give it great versatility in interacting with active sites on nanoparticles and solid surfaces; (2) the strength of hydrogen binding to an active site on a surface is an important descriptor of the chemical and catalytic properties of the surface; (3) the energetics of the hydrogen binding is closely related to the electronic structure of the catalyst; (4) hydrides in nanoclusters and oxides and on surfaces offer unique reactivity for reduction reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Data analysis and interpretation related to space system/environment interactions at LEO altitude

Several studies made on the interaction of active systems with the LEO space environment experienced from orbital or suborbital platforms are covered. The issue of high voltage space interaction is covered by theoretical modeling studies of the interaction of charged solar cell arrays with the ionospheric plasma. The theoretical studies were complemented by experimental measurements made in a vacuum chamber. The other active system studied was the emission of effluent from a space platform. In one study the emission of plasma into the LEO environment was studied by using initially a 2-D model, and then extending this model to 3-D to correctly take account of plasma motion parallel to the geomagnetic field. The other effluent studies related to the releases of neutral gas from an orbiting platform. One model which was extended and used determined the density, velocity, and energy of both an effluent gas and the ambient upper atmospheric gases over a large volume around the platform. This model was adapted to study both ambient and contaminant distributions around smaller objects in the orbital frame of reference with scale sizes of 1 m. The other effluent studies related to the interaction of the released neutral gas with the ambient ionospheric plasma. An electrostatic model was used to help understand anomalously high plasma densities measured at times in the vicinity of the space shuttle orbiter.

Raitt, W. John↗
NASA NTRS1992

Ventral horn cell responses to spaceflight and hindlimb suspension

Ventral horn cells of the lumbosacral enlargement of the spinal cord were studied focusing on the succinate dehydrogenase (SDH) activity and cross-sectional area of the soma of ventral horn cells which were measured using a computer-aided image-processing system. The relationships between the soma size and SDH activities of lumber ventral horn cells after 14 days of spaceflight (Cosmos 2044) or of hindlimb suspension are considered. Three groups of rats under consideration include control, 14-day spaceflight, and 14-day hindlimb suspension. Data obtained indicate that, compared to the control group, the population distribution of SDH activities in the flight rats shifted toward higher activities, whereas in the suspended rats the distribution shifted toward lower activities. The interactive effects within individual cells showed that there was a higher percentage of small cells with high SDH activities in the flight than in the control or suspended rats. It is suggested that changes in ventral horn cells were due to factors other than simply the absence of weight support.

Jiang, Bian↗
DOE OSTI2022

Donor–Acceptor Conjugated Copolymers Containing Transition-Metal Complex: Intrachain Magnetic Exchange Interactions and Magneto-Optical Activity

A donor-acceptor conjugated copolymer containing thienothiophene (TT) (Donor) units and Co(II) complexes (Acceptor) has been synthesized and characterized. The studies of magnetic properties of the polymers by SQUID and EPR measurements showed antiferromagnetic exchange interaction between neighboring spin centers along with the polymer backbone through intrachain in-teractions. It is the first time that D-A conjugated polymer backbone serving as bridging ligands for magnetic couplings, making this type of polymers promising as magnetic materials. Moreover, the magneto-optical activity (MOA) of polymer LCP1 was char-acterized using magnetic circular dichroism (MCD) spectroscopy. It was found that the material exhibits a large magneto-optic rotation with a peak Verdet constant of 2980 deg*T -1 *m -1 at 590 nm.

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

Inverse design of pore wall chemistry and topology through active learning of surface group interactions

Design of next-generation membranes requires a nanoscopic understanding of the effect of biologically inspired heterogeneous surface chemistries and topologies (roughness) on local water and solute behavior. In particular, the rejection of small, neutral solutes, such as boric acid, poses a heretofore unsolved challenge. In prior work, a computational inverse design technique using an evolutionary optimization successfully uncovered new surface design strategies for optimized transport of water over solutes in smooth, model pores consisting of two surface chemistries. However, extending such an approach to more complex (and realistic) scenarios involving many surface chemistries as well as surface roughness is challenging due to the expanded design space. In this work, we develop a new approach that uses active learning to optimize in a reduced feature space of surface group interactions, finding parameters that lead to their assembly into ordered, optimal patterns. This approach rapidly identifies novel surface functionalizations that maximize the difference in water and boric acid transport through the nanopore. Moreover, we find that the roughness of the nanopore wall, independent of its chemistry, can be leveraged to enhance transport selectivity: oscillations in the pore wall diameter optimally inhibit boric acid transport by creating energetic wells from which the solute must escape to transport down the pore. Furthermore, this proof-of-concept demonstrates the potential for active learning strategies, in concert with molecular simulations, to rapidly navigate complex design spaces of aqueous interfaces and is promising as a tool for engineering water-mediated surface interactions for a broad range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

An interaction network in the polymerase active site is a prerequisite for Watson-Crick base pairing in Pol γ

The replication accuracy of DNA polymerase gamma (Pol γ) is essential for mitochondrial genome integrity. Mutation of human Pol γ arginine-853 has been linked to neurological diseases. Although not a catalytic residue, Pol γ arginine-853 mutants are void of polymerase activity. To identify the structural basis for the disease, we determined a crystal structure of the Pol γ mutant ternary complex with correct incoming nucleotide 2'-deoxycytidine 5'-triphosphate (dCTP). Opposite to the wild type that undergoes open-to-closed conformational changes when bound to a correct nucleotide that is essential for forming a catalytically competent active site, the mutant complex failed to undergo the conformational change, and the dCTP did not base pair with its Watson-Crick complementary templating residue. Our studies revealed that arginine-853 coordinates an interaction network that aligns the 3'-end of primer and dCTP with the catalytic residues. Disruption of the network precludes the formation of Watson-Crick base pairing and closing of the active site, resulting in an inactive polymerase.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1992

Observation and theory of the barium releases from the CRRES satellite

The relationship between releases of barium from the NASA Combined Release and Radiation Effects Satellite (CRRES) and enhanced auroral activity is discussed with reference to observational data. Barium releases were conducted at a variety of altitudes and injection velocities, and plasma irregularities are reported as a result of the interactions. Auroral activity increased within 5 min of each release, and references are made to the effects on diamagnetic cavities, bulk ion motion, and stimulated electron and ion precipitation. Artificially created structured diamagnetic cavities are noted for each release, plasma waves are generated by the high-speed ion clouds, and enhanced ionization is found in the critical ionization-velocity process. Barium releases are effective in stimulating electron precipitation, and the observed irregularities are related to cycloid bunching of the initial ion distributions.

Bernhardt, P. A.↗