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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Effect of metallosupramolecular polymer concentration on the synthesis of poly[n]catenanes

Poly[n]catenanes are a class of polymers that are composed entirely of interlocked rings. One synthetic route to these polymers involves the formation of a metallosupramolecular polymer (MSP) that consists of alternating units of macrocyclic and linear thread components. Ring closure of the thread components has been shown to yield a mixture of cyclic, linear, and branched poly[n]catenanes. Reported herein are investigations into this synthetic methodology, with a focus on a more detailed understanding of the crude product distribution and investigations into how the concentration of the MSP during the ring closing reaction impacts the resulting poly[n]catenanes. In addition to a better understanding of the molecular products obtained in these reactions, the results show that the concentration of the reaction can be used to tune the size and type of poly[n]catenanes accessed. At low concentrations the interlocked product distribution is limited to primarily oligomeric and small cyclic catenanes (number average molar mass $\overline{Mn}$ = 6.2 kg mol -1 , number of rings = 4). However, the same reaction at increased concentration can yield branched poly[n]catenanes with an $\overline{Mn}$ ca. 21 kg mol -1 and evidence of structures with as many as 640 interlocked rings (1000 kg mol -1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Biosensor for branched-chain amino acid metabolism in yeast and applications in isobutanol and isopentanol production

Abstract Branched-chain amino acid (BCAA) metabolism fulfills numerous physiological roles and can be harnessed to produce valuable chemicals. However, the lack of eukaryotic biosensors specific for BCAA-derived products has limited the ability to develop high-throughput screens for strain engineering and metabolic studies. Here, we harness the transcriptional regulator Leu3p from Saccharomyces cerevisiae to develop a genetically encoded biosensor for BCAA metabolism. In one configuration, we use the biosensor to monitor yeast production of isobutanol, an alcohol derived from valine degradation. Small modifications allow us to redeploy Leu3p in another biosensor configuration that monitors production of the leucine-derived alcohol, isopentanol. These biosensor configurations are effective at isolating high-producing strains and identifying enzymes with enhanced activity from screens for branched-chain higher alcohol (BCHA) biosynthesis in mitochondria as well as cytosol. Furthermore, this biosensor has the potential to assist in metabolic studies involving BCAA pathways, and offers a blueprint to develop biosensors for other products derived from BCAA metabolism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

A primer on forest structure measurement with lidar for ecologists

Light detection and ranging (lidar) technology has fundamentally advanced the way we measure forest structure, facilitating new insights into ecological processes. Lidar for forest ecology applications is deployed on multiple types of platforms that operate from the ground, air, or space, and each has associated strengths and limitations. Ideally, the choice of what kind of lidar to use in a particular study should be guided by the ecological question of interest; however, practical considerations of cost, data availability, and processing tools can be equally important. This synthesis is a practical introduction to how different lidar platforms characterize forest structure (e.g., tree size/location, wood volume, branching structure, aboveground biomass, leaf properties), designed for a general audience of ecologists (not remote sensing scientists) seeking an accessible introduction to the use of lidar. We also provide examples of novel ecological insights from recent lidar research and describe current limitations and areas of expected improvement. Last, we include an appendix of data collected from terrestrial, mobile, unoccupied aerial system, airplane, and satellite lidar platforms within a common temperate forest area, with associated code to allow new lidar users to visualize and manipulate data in R.

Cushman, KC [ORNL] (ORCID:0000000234641151)↗
DOE OSTI2020

Majorana-based quantum computing in nanowire devices

The boundary of one-dimensional topological superconductors might lead to the appearance of Majorana zero modes, whose nontrivial exchange statistics can be used for quantum computing. In branched nanowire networks, one can exchange Majorana modes by time dependently tuning topologically nontrivial parameter regions. In this paper, we simulate the exchange of four Majorana modes in T-shaped junctions made out of $\textit{p}$-wave superconducting Rashba wires. Specifically, we derive concrete experimental predictions for (quasi-)adiabatic braiding times and determine geometric conditions for successful Majorana exchange processes. Moreover, we prove that, in the adiabatic limit, the gating time needs to be smaller than the inverse of the squared superconducting order parameter and scales linearly with the gating potential. Furthermore, we show how to circumvent the formation of additional Majorana modes in branched nanowire systems, arising at wire intersection points of narrow junctions. Finally, we propose a multiqubit setup, allowing for universal quantum computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Search for the e + e − → ϕ χ c 1 ( 3872 ) process at BESIII

Based on 368.5 p b − 1 of e + e − collision data collected at center-of-mass energies 4.914 and 4.946 GeV by the BESIII detector, the e + e − → ϕ χ c 1 ( 3872 ) process is searched for the first time. No significant signal is observed and the upper limits at the 90% confidence level on the product of the Born cross section σ ( e + e − → ϕ χ c 1 ( 3872 ) ) and the branching fraction B [ χ c 1 ( 3872 ) → π + π − J / ψ ] at 4.914 and 4.946 GeV are set to be 0.85 and 0.96 pb, respectively. These measurements provide useful information for the production of the χ c 1 ( 3872 ) at e + e − colliders and deepen our understanding about the nature of this particle. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

Functional and genetic markers of niche partitioning among enigmatic members of the human oral microbiome

Abstract Introduction Microbial residents of the human oral cavity have long been a major focus of microbiology due to their influence on host health and intriguing patterns of site specificity amidst the lack of dispersal limitation. However, the determinants of niche partitioning in this habitat are yet to be fully understood, especially among taxa that belong to recently discovered branches of microbial life. Results Here, we assemble metagenomes from tongue and dental plaque samples from multiple individuals and reconstruct 790 non-redundant genomes, 43 of which resolve to TM7, a member of the Candidate Phyla Radiation, forming six monophyletic clades that distinctly associate with either plaque or tongue. Both pangenomic and phylogenomic analyses group tongue-specific clades with other host-associated TM7 genomes. In contrast, plaque-specific TM7 group with environmental TM7 genomes. Besides offering deeper insights into the ecology, evolution, and mobilome of cryptic members of the oral microbiome, our study reveals an intriguing resemblance between dental plaque and non-host environments indicated by the TM7 evolution, suggesting that plaque may have served as a stepping stone for environmental microbes to adapt to host environments for some clades of microbes. Additionally, we report that prophages are widespread among oral-associated TM7, while absent from environmental TM7, suggesting that prophages may have played a role in adaptation of TM7 to the host environment. Conclusions Our data illuminate niche partitioning of enigmatic members of the oral cavity, including TM7, SR1, and GN02, and provide genomes for poorly characterized yet prevalent members of this biome, such as uncultivated Flavobacteriaceae.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Extrapolation of Type Ia Supernova Spectra into the Near-infrared Using Principal Component Analysis

Abstract We present a method of extrapolating the spectroscopic behavior of Type Ia supernovae (SNe Ia) in the near-infrared (NIR) wavelength regime up to 2.30 μ m using optical spectroscopy. Such a process is useful for accurately estimating K-corrections and other photometric quantities of SNe Ia in the NIR. A principal component analysis is performed on data consisting of Carnegie Supernova Project I & II optical and NIR FIRE spectra to produce models capable of making these extrapolations. This method differs from previous spectral template methods by not parameterizing models strictly by photometric light-curve properties of SNe Ia, allowing for more flexibility of the resulting extrapolated NIR flux. A difference of around −3.1% to −2.7% in the total integrated NIR flux between these extrapolations and the observations is seen here for most test cases including Branch core-normal and shallow-silicon subtypes. However, larger deviations from the observation are found for other tests, likely due to the limited high-velocity and broad-line SNe Ia in the training sample. Maximum-light principal components are shown to allow for spectroscopic predictions of the color-stretch light-curve parameter, s BV , within approximately ±0.1 units of the value measured with photometry. We also show these results compare well with NIR templates, although in most cases the templates are marginally more fitting to observations, illustrating a need for more concurrent optical+NIR spectroscopic observations to truly understand the diversity of SNe Ia in the NIR.

Astronomy & Astrophysics↗
DOE OSTI2023

Multifunctional RF limiting amplifier

Multifunctional RF limiting amplifiers having various configurations and functions are disclosed. In a first configuration, the RF limiting amplifier includes an active load output circuit that allows one to adjust the output impedance based upon the anticipated connected load impedance. In a second configuration, the RF limiting amplifier includes a pair of emitter-followers to buffer the output of a first stage, allowing the RF limiting amplifier to drive one or more second stages. A third configuration includes a pair of RF limiting amplifiers with their outputs mixed to implement a down conversion function. The third configuration may be used to drive dual SAW resonators for detecting the presence of biological or chemical agents. The RF limiting amplifier may be implemented in either bipolar junction transistors or CMOS transistors.

Wessendorf, Kurt O.↗
DOE OSTI2023

Microbial production of high octane and high sensitivity olefinic ester biofuels

Abstract Background Advanced spark ignition engines require high performance fuels with improved resistance to autoignition. Biologically derived olefinic alcohols have arisen as promising blendstock candidates due to favorable octane numbers and synergistic blending characteristics. However, production and downstream separation of these alcohols are limited by their intrinsic toxicity and high aqueous solubility, respectively. Bioproduction of carboxylate esters of alcohols can improve partitioning and reduce toxicity, but in practice has been limited to saturated esters with characteristically low octane sensitivity. If olefinic esters retain the synergistic blending characteristics of their alcohol counterparts, they could improve the bioblendstock combustion performance while also retaining the production advantages of the ester moiety. Results Optimization of Escherichia coli isoprenoid pathways has led to high titers of isoprenol and prenol, which are not only excellent standalone biofuel and blend candidates, but also novel targets for esterification. Here, a selection of olefinic esters enhanced blendstock performance according to their degree of unsaturation and branching. E. coli strains harboring optimized mevalonate pathways, thioester pathways, and heterologous alcohol acyltransferases (ATF1, ATF2, and SAAT) were engineered for the bioproduction of four novel olefinic esters. Although prenyl and isoprenyl lactate titers were limited to 1.48 ± 0.41 mg/L and 5.57 ± 1.36 mg/L, strains engineered for prenyl and isoprenyl acetate attained titers of 176.3 ± 16.0 mg/L and 3.08 ± 0.27 g/L, respectively. Furthermore, prenyl acetate (20% bRON = 125.8) and isoprenyl acetate (20% bRON = 108.4) exhibited blend properties comparable to ethanol and significantly better than any saturated ester. By further scaling cultures to a 2-L bioreactor under fed-batch conditions, 15.0 ± 0.9 g/L isoprenyl acetate was achieved on minimal medium. Metabolic engineering of acetate pathway flux further improved titer to attain an unprecedented 28.0 ± 1.0 g/L isoprenyl acetate, accounting for 75.7% theoretical yield from glucose. Conclusion Our study demonstrated novel bioproduction of four isoprenoid oxygenates for fuel blending. Our optimized E. coli production strain generated an unprecedented titer of isoprenyl acetate and when paired with its favorable blend properties, may enable rapid scale-up of olefinic alcohol esters for use as a fuel blend additive or as a precursor for longer-chain biofuels and biochemicals.

09 BIOMASS FUELS↗
DOE OSTI2025

Benchmark microgravity experiments and computations for 3D dendritic-array stability in directional solidification

In this study, we present a comprehensive quantitative analysis of stability bands for dendritic arrays during directional solidification of a transparent succinonitrile-0.46 wt % camphor alloy, spanning a broad range of pulling velocities. Taking advantage of the microgravity environment aboard the International Space Station where most convection effects are suppressed, we obtain unique measurements that quantify the stable primary spacing range of spatially extended three-dimensional dendritic array structures under purely diffusive growth conditions. Through carefully designed velocity jump experiments and detailed examination of sub-grain boundary dynamics, we characterize key instabilities, including elimination and tertiary branching, shedding new light on the mechanisms governing dynamic dendritic spacing selection in extended 3D arrays. Phase field simulations are performed to characterize the stability limits of dendritic array structures for quantitative comparison with the flight experiments. Although the simulations capture general trends, significant deviations are noted at the upper stability boundary, indicating the influence of additional, unexplored factors. These findings contribute to a deeper understanding of dendritic growth dynamics and offer valuable benchmark data that could aid in refining predictive models and improving control of dendritic microstructures in metallurgical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Custodial symmetry breaking and Higgs boson signatures at the LHC

We discuss the simplest model that predicts a tree-level modification of the ρ parameter from a shift in the W -mass without changing the prediction for the Z mass. This model predicts a new neutral Higgs and two charged Higgses, with very similar masses and suppressed couplings to the Standard Model fermions. We discuss the decay properties of these new scalar bosons, and the main signatures at the Large Hadron Collider. Comparing these signatures for the first time to the latest measurements, we show that while masses around 200 GeV are excluded for some scenarios, over a wide range of model parameter space the new bosons can have a mass close to the electroweak scale without violating existing limits from experimental searches or destroying the agreement with measurements. We investigate the scenario where the new neutral Higgs is fermiophobic and has a large branching ratio into W gauge bosons and/or photons, and show that this could lead to a signal in the diphoton mass spectrum at low Higgs masses. We discuss the different signatures that can motivate new measurements and searches at the Large Hadron Collider. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Search for Inelastic Dark Matter in Events with Two Displaced Muons and Missing Transverse Momentum in Proton-Proton Collisions at s = 13 TeV

A search for dark matter in events with a displaced nonresonant muon pair and missing transverse momentum is presented. The analysis is performed using an integrated luminosity of 138 fb − 1 of proton-proton ( p p ) collision data at a center-of-mass energy of 13 TeV produced by the LHC in 2016–2018. No significant excess over the predicted backgrounds is observed. Upper limits are set on the product of the inelastic dark matter production cross section σ ( p p → A ′ → χ 1 χ 2 ) and the decay branching fraction B ( χ 2 → χ 1 μ + μ − ) , where A ′ is a dark photon and χ 1 and χ 2 are states in the dark sector with near mass degeneracy. This is the first dedicated collider search for inelastic dark matter. © 2024 CERN, for the CMS Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Impact Response of Cold Spray Deposited Materials

Solid-state cold spraying (CS) of metals and respective blends is becoming increasingly attractive compared to conventional high temperature processes due to the unique properties such as increased yield strength, low ductility, and differences in tensile and compressive strengths that result from microstructural features due to the CS process. Here we report the results of plate impact experiments applied to CS deposits of tantalum (Ta), niobium (Nb), and a tantalum- niobium blend (TaNb). These methods allowed for definition of the Hugoniot for each material type and allowed for assessment of the Hugoniot Elastic Limit (HEL). Scanning electron microscopy was used on recovered samples to characterize the fracture mechanism during spallation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Frhodo: A program for simulating chemical kinetic measurements and optimizing kinetic mechanisms

Chemical kinetic simulations are frequently used to extract kinetic and mechanistic information from experimental data by fitting simulations to the data. For simple systems of consecutive single channel reactions this is a relatively straightforward task. However, as the complexity of the system increases and particularly for systems involving competitive multi-channel reactions manually optimizing a mechanism to obtain the best fits to a range of experimental data quickly becomes a time-intensive and challenging process, especially when rate coefficients have pressure and temperature dependencies. There is considerable potential for exploiting automated optimization methods to rapidly screen reaction mechanisms and optimize the fit by adjusting rate coefficients within well-defined constraints. A new chemical kinetics simulation program, Frhodo, has been developed for this purpose. The program allows either manual simulation of individual experiments or fully automated optimization against a range of experimental data by adjusting user selected reactions within user defined constraints. Frhodo incorporates machine learning-based optimization routines that work by either minimizing standardized residuals or through Bayesian parameter estimation. Frhodo's optimization capabilities are demonstrated by reexamining two previously studied systems of relevance to combustion. Dissociation of diacetyl followed by recombination of methyl radicals is an example of a sequence of single channel, consecutive reactions. Pyrolysis of 2-methyl furan exemplifies multi-channel, unimolecular reactions that are often encountered and have temperature and pressure dependencies in the rate coefficients of the channels and branching ratios between them. For both systems the optimization routines resulted in solutions similar to the original studies. Finally, comments are made on the strengths and limitations of the approach.

0D simulation↗
DOE OSTI2021

Targeted metabolomic analysis identifies increased serum levels of GABA and branched chain amino acids in canine diabetes

Introduction Dogs with naturally occurring diabetes mellitus represent a potential model for human type 1 diabetes, yet signifcant knowledge voids exist in terms of the pathogenic mechanisms underlying the canine disorder. Untargeted metabolomic studies from a limited number of diabetic dogs identifed similarities to humans with the disease. Objective To expand and validate earlier metabolomic studies, identify metabolites that difer consistently between diabetic and healthy dogs, and address whether certain metabolites might serve as disease biomarkers. Methods Untargeted metabolomic analysis via liquid chromatography-mass spectrometry was performed on serum from diabetic (n=15) and control (n=15) dogs. Results were combined with those of our previously published studies using identical methods (12 diabetic and 12 control dogs) to identify metabolites consistently diferent between the groups in all 54 dogs. Thirty-two candidate biomarkers were quantifed using targeted metabolomics. Biomarker concentrations were compared between the groups using multiple linear regression (corrected P<0.0051 considered signifcant). Results Untargeted metabolomics identifed multiple persistent diferences in serum metabolites in diabetic dogs compared with previous studies. Therefore, targeted metabolomics showed increases in gamma amino butyric acid, valine, leucine, isoleucine, citramalate, and 2-hydroxyisobutyric acid in diabetic versus control dogs while indoxyl sulfate, N-acetyl-L-aspartic acid, kynurenine, anthranilic acid, tyrosine, glutamine, and tauroursodeoxycholic acid were decreased. Conclusion Several of these fndings parallel metabolomic studies in both human diabetes and other animal models of this disease. Given recent studies on the role of GABA and branched chain amino acids in human diabetes, the increase in serum concentrations in canine diabetes warrants further study of these metabolites as potential biomarkers, and to identify similarity in mechanisms underlying this disease in humans and dogs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tree architecture: A strigolactone-deficient mutant reveals a connection between branching order and auxin gradient along the tree stem

Due to their long lifespan, trees and bushes develop higher order of branches in a perennial manner. In contrast to a tall tree, with a clearly defined main stem and branching order, a bush is shorter and has a less apparent main stem and branching pattern. To address the developmental basis of these two forms, we studied several naturally occurring architectural variants in silver birch (Betula pendula). Using a candidate gene approach, we identified a bushy kanttarelli variant with a loss-of-function mutation in the BpMAX1 gene required for strigolactone (SL) biosynthesis. While kanttarelli is shorter than the wild type (WT), it has the same number of primary branches, whereas the number of secondary branches is increased, contributing to its bush-like phenotype. To confirm that the identified mutation was responsible for the phenotype, we phenocopied kanttarelli in transgenic BpMAX1::RNAi birch lines. SL profiling confirmed that both kanttarelli and the transgenic lines produced very limited amounts of SL. Interestingly, the auxin (IAA) distribution along the main stem differed between WT and BpMAX1::RNAi. In the WT, the auxin concentration formed a gradient, being higher in the uppermost internodes and decreasing toward the basal part of the stem, whereas in the transgenic line, this gradient was not observed. Through modeling, we showed that the different IAA distribution patterns may result from the difference in the number of higher-order branches and plant height. Future studies will determine whether the IAA gradient itself regulates aspects of plant architecture.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Multi-component Dark Matter and small scale structure formation

We consider the evolution of non-thermal dark matter perturbations in models which contain both Weakly Interacting Massive Particles (WIMPs) and axions. Using constraints from existing observations we examine the percentage of WIMPs and axions that may comprise the cosmological dark matter budget in models with an Early Matter Dominated Epoch (EMDE) — where entropy production is important. After carefully tracking the thermal evolution of the various species by solving the Boltzmann equations, we consider the enhancement of perturbations that may have led to early structure formation for axions and WIMPs. We investigate the impact of enhanced perturbations on the parameter space of both species, after imposing existing constraints from indirect detection experiments. Given these constraints we establish the feasibility of axions to form miniclusters in the early universe in EMDEs for a given percentage of allowed WIMPs. We find that EMDEs with low reheat temperatures near the BBN limit are preferred for axion minicluster formation. When the EMDE is caused by string moduli, the WIMP contribution to the relic density is set by the moduli branching to dark matter at the level of ≲ $\mathcal{O}$ (10 −4 ).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Anomalous Anisotropic Nanoparticle Aggregation in Cu 2 (OH) 3 Br Gels

Aerogels are of interest for their ability to uniformly incorporate nanoscale features into macroscopic assemblies, which enabled applications that require low density, high surface area, and/or bicontinuous networks. The structure of the nanoporous network is intrinsically linked to the macroscopic properties of aerogels. Hence, control of this structure is of paramount importance. Small-angle X-ray scattering (SAXS) is used here to monitor nanoparticle aggregation in situ in Cu 2 (OH) 3 Br aerogels formed via epoxide-assisted gelation. Anomalous anisotropic aggregation is observed in the absence of templating agents and is attributed to the molecular structure of the inorganic nanoparticles themselves. This is a fundamental departure from the models currently used to describe traditional inorganic sol–gel chemistry where nanoparticles are believed to undergo isotropic diffusion- and/or kinetically limited aggregation. Time-resolved SAXS indicates that Cu 2 (OH) 3 Br nanoparticles nucleate rapidly from solution to form unbranched chain-like aggregates rather than branched mass-fractal aggregates. Sizes of primary particles (~1.5 nm) and the chain-like structure of their aggregates are independent of particle concentration (gel density), while rates of particle aggregation, gelation time, and aggregate size are strongly dependent upon particle concentration, which implies that the chemistry of particle formation and the physics of particle aggregation are independent processes. Because the conditions necessary for creating anisotropic structures are not unique to Cu 2 (OH) 3 Br, these results could provide insight into the structure and gelation mechanisms of other inorganic aerogels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗