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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Lignin Extraction and Condensation as a Function of Temperature, Residence Time, and Solvent System in Flow-through Reactors

Solvolytic extraction of lignin from biomass is a critical step in lignin-first biorefining, including the reductive catalytic fractionation (RCF) process. Key to optimal RCF processing is the ability to rapidly extract lignin from biomass at high delignification extents and transfer the lignin molecules to a catalyst surface in a time frame that minimizes lignin condensation reactions. Here, we use a flow-through reactor to study the effects of temperature (175-250 °C), residence time (9 to 36 min), and solvent composition (methanol and methanol-water) on lignin extraction and condensation. We evaluated three metrics at each condition: total delignification, delignification rate, and extent of condensation, the latter measured by a decrease in monomer yield for batch hydrogenolysis reactions of solvolysis liquor compared to batch RCF reactions. We observe that delignification is predominantly determined by temperature, while residence time dictates the lignin condensation extent. Moreover, the extent of both extraction and condensation increased in the methanol-water solvent system compared to that in the methanol system. Lignin extracted in methanol is stable up to 18-min residence times at or below 225 °C, while a majority of the lignin extracted in methanol-water is condensed with a 9-min residence time at 200 °C. These results can inform reactor designs and solvent selection for lignin-first biorefining processes that aim to physically separate the biomass and catalyst.

09 BIOMASS FUELS↗
DOE OSTI2014

Free-energy calculations for semi-flexible macromolecules: Applications to DNA knotting and looping

We present a method to obtain numerically accurate values of configurational free energies of semiflexible macromolecular systems, based on the technique of thermodynamic integration combined with normal-mode analysis of a reference system subject to harmonic constraints. Compared with previous free-energy calculations that depend on a reference state, our approach introduces two innovations, namely, the use of internal coordinates to constrain the reference states and the ability to freely select these reference states. As a consequence, it is possible to explore systems that undergo substantially larger fluctuations than those considered in previous calculations, including semiflexible biopolymers having arbitrary ratios of contour length L to persistence length P. To validate the method, high accuracy is demonstrated for free energies of prime DNA knots with L/P = 20 and L/P = 40, corresponding to DNA lengths of 3000 and 6000 base pairs, respectively. We then apply the method to study the free-energy landscape for a model of a synaptic nucleoprotein complex containing a pair of looped domains, revealing a bifurcation in the location of optimal synapse (crossover) sites. This transition is relevant to target-site selection by DNA-binding proteins that occupy multiple DNA sites separated by large linear distances along the genome, a problem that arises naturally in gene regulation, DNA recombination, and the action of type-II topoisomerases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

An ion mobility mass spectrometer for investigating photoisomerization and photodissociation of molecular ions

An ion mobility mass spectrometry apparatus for investigating the photoisomerization and photodissociation of electrosprayed molecular ions in the gas phase is described. The device consists of a drift tube mobility spectrometer, with access for a laser beam that intercepts the drifting ion packet either coaxially or transversely, followed by a quadrupole mass filter. An ion gate halfway along the drift region allows the instrument to be used as a tandem ion mobility spectrometer, enabling mobility selection of ions prior to irradiation, with the photoisomer ions being separated over the second half of the drift tube. The utility of the device is illustrated with photoisomerization and photodissociation action spectra of carbocyanine molecular cations. The mobility resolution of the device for singly charged ions is typically 80 and it has a mass range of 100-440 Da, with the lower limit determined by the drive frequency for the ion funnels, and the upper limit by the quadrupole mass filter.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Communication: Electron diffraction of ferrocene in superfluid helium droplets

We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of the doping process. This method can be used for studies of nucleation processes in superfluid helium droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Well separated trion and neutral excitons on superacid treated MoS{sub 2} monolayers

Developments in optoelectronics and spin-optronics based on transition metal dichalcogenide monolayers (MLs) need materials with efficient optical emission and well-defined transition energies. In as-exfoliated MoS{sub 2} MLs, the photoluminescence (PL) spectra even at low temperature consist typically of broad, overlapping contributions from neutral, charged excitons (trions) and localized states. Here, we show that in superacid treated MoS{sub 2} MLs, the PL intensity increases by up to 60 times at room temperature. The neutral and charged exciton transitions are spectrally well separated in PL and reflectivity at T = 4 K, with linewidth for the neutral exciton of 15 meV, but both transitions have similar intensities compared to the ones in as-exfoliated MLs at the same temperature. Time resolved experiments uncover picoseconds recombination dynamics analyzed separately for charged and neutral exciton emissions. Using the chiral interband selection rules, we demonstrate optically induced valley polarization for both complexes and valley coherence for only the neutral exciton.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water

Two-phase simulations are commonly used to evaluate coexistence conditions, interfacial tensions, and other thermodynamic properties associated with first-order phase transitions. Calculation of these properties is often simplified when the interfaces between the two phases are flat or planar. In this paper, we derive a general thermodynamic criterion for selecting simulation cell dimensions to stabilize planar interfaces in phase-separated fluid-fluid systems with respect to homogeneous, single-phase states. The resulting expression is validated by analyzing the effects of simulation cell dimensions on the formation of planar liquid-vapor interfaces in the Lennard-Jones fluid and in the TIP4P/2005 model of water. We also perform large scale molecular dynamics simulations to study metastable liquid-liquid phase separation in the ST2 and TIP4P/2005 models of water under deeply supercooled conditions. Our simulations confirm the stability of a liquid-liquid interface in ST2, and they demonstrate that the corresponding interface for TIP4P/2005 can be stabilized by judiciously choosing the simulation cell aspect ratio in a manner consistent with the thermodynamic criterion. We posit that this sensitivity to the simulation cell aspect ratio may explain discrepancies between previous studies examining liquid-liquid separation in models of supercooled water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Measurements of a 2.1 MeV H− beam with an Allison scanner

Transverse 2D phase space distributions of a 2.1 MeV, 5 mA H− beam are measured at the Proton Improvement Plan II Injector Test accelerator at Fermilab with an Allison scanner. This paper describes the design, calibration, and performance of the scanner along with the main results from beam measurements. Analyses of the recorded phase portraits are performed primarily in action-phase coordinates. The stability of the action under linear optics makes it easier to compare measurements taken under different beamline conditions. The amplitude of a single measured point (“pixel”) is proportional to the phase density in the corresponding portion of the beam. When the Twiss parameters are calculated using only the high-phase density part of the beam, the pixel amplitude in the beam core is found to be decreasing approximately exponentially with action and to be phase-independent. Outside of the core, the amplitudes decrease with action at a slower rate than in the core. This “tail” comprises 10%–30% of the beam, with 0.1% of the total measured intensity extending beyond action 10–20 times larger than the rms emittance. The transition from the core to the tail is accompanied by the appearance of two “branches” that are separated in phase and extend beyond the core. A set of selected measurements shows that there is no measurable emittance dilution along the beamline; the beam parameters are practically constant over a 0.5 ms pulse; and scraping in various parts of the beamline is an effective way to decrease the transverse tails by removing the branches.

Richard, C. (ORCID:000000029891135X)↗
DOE OSTI2014

Morphological parameters of a Spitzer survey of stellar structure in galaxies

The morphology of galaxies can be quantified to some degree using a set of scale-invariant parameters. Concentration (C), asymmetry (A), smoothness (S), the Gini index (G), the relative contribution of the brightest pixels to the second-order moment of the flux (M {sub 20}), ellipticity (E), and the Gini index of the second-order moment (G{sub M} ) have all been applied to morphologically classify galaxies at various wavelengths. Here, we present a catalog of these parameters for the Spitzer Survey of stellar structure in Galaxies, a volume-limited, near-infrared (NIR) imaging survey of nearby galaxies using the 3.6 and 4.5 μm channels of the Infrared Array Camera on board the Spitzer Space Telescope. Our goal is to provide a reference catalog of NIR quantified morphology for high-redshift studies and galaxy evolution models with enough detail to resolve stellar mass morphology. We explore where normal, non-interacting galaxies—those typically found on the Hubble tuning fork—lie in this parameter space and show that there is a tight relation between concentration (C {sub 82}) and M {sub 20} for normal galaxies. M {sub 20} can be used to classify galaxies into earlier and later types (i.e., to separate spirals from irregulars). Several criteria using these parameters exist to select systems with a disturbed morphology, i.e., those that appear to be undergoing a tidal interaction. We examine the applicability of these criteria to Spitzer NIR imaging. We find that four relations, based on the parameters A and S, G and M {sub 20}, G{sub M} , C, and M {sub 20}, respectively, select outliers in morphological parameter space, but each selects different subsets of galaxies. Two criteria (G{sub M} > 0.6, G > –0.115 × M {sub 20} + 0.384) seem most appropriate to identify possible mergers and the merger fraction in NIR surveys. We find no strong relation between lopsidedness and most of these morphological parameters, except for a weak dependence of lopsidedness on concentration and M {sub 20}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Temporal Gating of Synaptic Competition in the Amygdala by Cannabinoid Receptor Activation

Abstract The acquisition of fear memories involves plasticity of the thalamic and cortical pathways to the lateral amygdala (LA). In turn, the maintenance of synaptic plasticity requires the interplay between input-specific synaptic tags and the allocation of plasticity-related proteins. Based on this interplay, weakly activated synapses can express long-lasting forms of synaptic plasticity by cooperating with strongly activated synapses. Increasing the number of activated synapses can shift cooperation to competition. Synaptic cooperation and competition can determine whether two events, separated in time, are associated or whether a particular event is selected for storage. The rules that determine whether synapses cooperate or compete are unknown. We found that synaptic cooperation and competition, in the LA, are determined by the temporal sequence of cortical and thalamic stimulation and that the strength of the synaptic tag is modulated by the endocannabinoid signaling. This modulation is particularly effective in thalamic synapses, supporting a critical role of endocannabinoids in restricting thalamic plasticity. Also, we found that the availability of synaptic proteins is activity-dependent, shifting competition to cooperation. Our data present the first evidence that presynaptic modulation of synaptic activation, by the cannabinoid signaling, functions as a temporal gating mechanism limiting synaptic cooperation and competition.

Madeira, Natália↗
DOE OSTI2022

Characterizing Minimum Admissible Separation Distances in Heavy Duty Vehicle Platoons

Heavy duty (HD) vehicles platooning under highway operating conditions, have been projected to provide significant fuel economy (FE) gains based on aerodynamic drag reduction of the platooning vehicles. Realizing these benefits under real-world operating conditions have several challenges. This paper (the second as part of series) quantifies the minimum admissible separation distance between platooning vehicles in HD commercial vehicle (CV) applications. This distance must be set up such that no collision occurs with leading vehicles under all deceleration conditions. In this paper key interactions to characterize this distance are demonstrated. These include, road surface conditions, grade, inter-vehicle communication delays, air-brake lag time, vehicle speed, weight, and aerodynamic drag. It is seen that characterizing the vehicle and road dynamics will be critical in establishing required deceleration or stopping distances for each vehicle in a platoon. The results of the study also necessitate vehicle control systems that can dynamically adjust not only the separation distances but also the braking reference points based on road conditions. The narrative provides application decision personnel with a well-defined set of admissible separation distance impact factors to consider as part of their architecture selection process.

Sujan, Vivek↗
DOE OSTI2019

Biomimetic potassium-selective nanopores

Reproducing the exquisite ion selectivity displayed by biological ion channels in artificial nanopore systems has proven to be one of the most challenging tasks undertaken by the nanopore community, yet a successful achievement of this goal offers immense technological potential. Here, we show a strategy to design solid-state nanopores that selectively transport potassium ions and show negligible conductance for sodium ions. The nanopores contain walls decorated with 4'-aminobenzo-18-crown-6 ether and single-stranded DNA (ssDNA) molecules located at one pore entrance. The ionic selectivity stems from facilitated transport of potassium ions in the pore region containing crown ether, while the highly charged ssDNA plays the role of a cation filter. Achieving potassium selectivity in solid-state nanopores opens new avenues toward advanced separation processes, more efficient biosensing technologies, and novel biomimetic nanopore systems.

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

CpoS-Inc interactions facilitate host cell modulation during Chlamydia trachomatis infection

ABSTRACT Chlamydia trachomatis ( C.t .), the leading bacterial cause of sexually transmitted infections, replicates within a unique intracellular compartment called the inclusion, which is modified by secreted proteins known as inclusion membrane (Inc) proteins. Here, we further characterize CpoS, an Inc protein previously shown to be critical for bacterial replication and inclusion development. We demonstrate that CpoS directly binds multiple coiled-coil region-containing Incs and engages Rab GTPases at a separate site. Notably, CpoS-InaC interactions facilitate the recruitment of select Arf GTPases to the inclusion membrane, while Rab recruitment occurs independently of these interactions. Biochemical and biophysical analyses revealed that Incs self-oligomerize to form higher-ordered structures, with CpoS adopting a tetrameric conformation resembling that of eukaryotic SNARE proteins. We propose that these assemblies serve as scaffolds to orchestrate vesicle docking, tethering, and fusion. Our findings highlight the intricate interplay between bacterial and host factors, revealing how C.t . leverages both Inc-Inc interactions and host protein engagement to manipulate vesicular trafficking and sustain infection.

Tijerina, Xavier [Department of Microbiology and I↗
DOE OSTI2017

Production of High-Purity O 2 via Membrane Contactor with Oxygen Carrier Solutions (Final Report)

Under the current research program, Gas Technology Institute (GTI) and University of South Carolina (USC) have been developing a bio-mimetic technology to produce greater than 95% purity oxygen from air via a hollow fiber membrane contactor (HFMC) with oxygen carrier solutions as the solvent. Low-cost poly (ethyleneimine)-cobalt (PEI-Co) complex solutions have been developed as the oxygen solvent. The PEI-Co complex with PEI/Co ratio of 10 was selected as the O 2 carrier solution for demonstrating O 2 separation performance in the membrane contactor due to its high O 2 capacity (1.1 L O 2 (STP)/L solution), fast uptake kinetics, and moderate viscosity (2.3 mPa∙s). In a membrane absorption test, the air was fed to the bore side of a hollow fiber membrane module whereas the PEI-Co solution was added to the shell side. A N 2 concentration as high as 99.4 vol% was observed in the outlet of the feed gas, indicating the majority of the O 2 was absorbed by the O 2 solvent. In integrated membrane absorption/desorption tests, vacuum and argon sweeps were used to achieve a high purity of oxygen. With the argon sweep approach, an O 2 concentration greater than 99.6% was observed in the desorbed gas stream on an argon-free basis. Overall, this proof-of-concept technology development has been successful as we have met all of the project milestones.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Separating beam-induced and cosmogenic muon backgrounds in the ICARUS detector

Due to high cosmic ray flux near the earth's surface, the rejection of cosmogenic muon backgrounds is a preeminent concern for particle detectors using Liquid Argon Time Projection Chamber (LArTPC) technology. One such detector, ICARUS of the short baseline neutrino experiment, also observes muons generated from neutrino interactions with nuclei in the surrounding rock. Our analysis exploits the differences between cosmogenic and rock-generated muons to separate rock-generated muons from the background. We develop a selection with 96.5\% efficiency and 81\% accuracy. Use of this selection on data and Monte-Carlo indicates monte-carlo may underestimate the true rock muon flux. These results have implications for calibration of the ICARUS detector and tuning of simulation.

Wells, David↗
DOE OSTI2026

Lignin Extraction and Condensation as a Function of Temperature, Residence Time, and Solvent System in Flow-through Reactors

Solvolytic extraction of lignin from biomass is a critical step in lignin-first biorefining, including the reductive catalytic fractionation (RCF) process. Key to optimal RCF processing is the ability to rapidly extract lignin from biomass at high delignification extents and transfer the lignin molecules to a catalyst surface in a time frame that minimizes lignin condensation reactions. Here, we use a flow-through reactor to study the effects of temperature (175–250 °C), residence time (9 to 36 min), and solvent composition (methanol and methanol–water) on lignin extraction and condensation. We evaluated three metrics at each condition: total delignification, delignification rate, and extent of condensation, the latter measured by a decrease in monomer yield for batch hydrogenolysis reactions of solvolysis liquor compared to batch RCF reactions. We observe that delignification is predominantly determined by temperature, while residence time dictates the lignin condensation extent. Moreover, the extent of both extraction and condensation increased in the methanol–water solvent system compared to that in the methanol system. Lignin extracted in methanol is stable up to 18-min residence times at or below 225 °C, while a majority of the lignin extracted in methanol–water is condensed with a 9-min residence time at 200 °C. These results can inform reactor designs and solvent selection for lignin-first biorefining processes that aim to physically separate the biomass and catalyst.

biorefining↗
DOE OSTI2023

Status of CHIP-TRAP: The Central Michigan University High-Precision Penning Trap

Precise and accurate atomic mass data provide crucial information for applications in a wide range of fields in physics and beyond, including astrophysics, nuclear structure, particle and neutrino physics, fundamental symmetries, chemistry, and metrology. The most precise atomic mass measurements are performed on charged particles confined in a Penning trap. Here, we describe the development, status, and outlook of CHIP-TRAP: the Central Michigan University high-precision Penning trap. CHIP-TRAP aims to perform ultra-high precision (~1 part in 10 11 fractional precision) mass measurements on stable and long-lived isotopes produced with external ion sources and transported to the Penning traps. Along the way, ions of a particular m/q are selected with a multi-reflection time-of-flight mass separator (MR-TOF-MS), with further filtering performed in a cylindrical capture trap before the ions are transported to a pair of hyperbolic measurement traps. In this paper, we report on the design and status of CHIP-TRAP and present results from the commissioning of the ion sources, MR-TOF-MS, and capture trap. We also provide an outlook on the continued development and commissioning of CHIP-TRAP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

SELECTING M GIANTS WITH INFRARED PHOTOMETRY: DISTANCES, METALLICITIES, AND THE SAGITTARIUS STREAM

Using a spectroscopically confirmed sample of M giants, M dwarfs, and quasars from the LAMOST survey, we assess how well Wide-field Infrared Survey Explorer (WISE) and Two Micron All Sky Survey color cuts can be used to select M giant stars. The WISE bands are very efficient at separating M giants from M dwarfs, and we present a simple classification that can produce a clean and relatively complete sample of M giants. We derive a new photometric relation to estimate the metallicity for M giants, calibrated using data from the APOGEE survey. We find a strong correlation between the (W1−W2) color and [M/H], where almost all of the scatter is due to photometric uncertainties. We show that previous photometric distance relations, which are mostly based on stellar models, may be biased and devise a new empirical distance relation, investigating trends with metallicity and star formation history. Given these relations, we investigate the properties of M giants in the Sagittarius stream. The offset in the orbital plane between the leading and trailing tails is reproduced, and by identifying distant M giants in the direction of the Galactic anticenter, we confirm that the previously detected debris in the outer halo is the apocenter of the trailing tail. We also find tentative evidence supporting an existing overdensity near the leading tail in the northern Galactic hemisphere, possibly an extension to the trailing tail (so-called Branch C). We have measured the metallicity distribution along the stream, finding a clear metallicity offset between the leading and trailing tails, in agreement with models for the stream formation. We include an online table of M giants to facilitate further studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

THE CIRCUMGALACTIC MEDIUM OF SUBMILLIMETER GALAXIES. I. FIRST RESULTS FROM A RADIO-IDENTIFIED SAMPLE

We present the first results from an ongoing survey to characterize the circumgalactic medium (CGM) of massive high-redshift galaxies detected as submillimeter galaxies (SMGs). We constructed a parent sample of 163 SMG–QSO pairs with separations less than ∼36″ by cross-matching far-infrared-selected galaxies from Herschel with spectroscopically confirmed QSOs. The Herschel sources were selected to match the properties of the SMGs. We determined the sub-arcsecond positions of six Herschel sources with the Very Large Array and obtained secure redshift identification for three of those with near-infrared spectroscopy. The QSO sightlines probe transverse proper distances of 112, 157, and 198 kpc at foreground redshifts of 2.043, 2.515, and 2.184, respectively, which are comparable to the virial radius of the ∼10{sup 13} M {sub ⊙} halos expected to host SMGs. High-quality absorption-line spectroscopy of the QSOs reveals systematically strong H i Ly α absorption around all three SMGs, with rest-frame equivalent widths of ∼2–3 Å. However, none of the three absorbers exhibit compelling evidence for optically thick H i gas or metal absorption, in contrast to the dominance of strong neutral absorbers in the CGM of luminous z ∼ 2 QSOs. The low covering factor of optically thick H i gas around SMGs tentatively indicates that SMGs may not have as prominent cool gas reservoirs in their halos as the coeval QSOs and that they may inhabit less massive halos than previously thought.

79 ASTRONOMY AND ASTROPHYSICS↗