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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Pillared Laminar Vermiculite Membranes with Tunable Monovalent and Multivalent Ion Selectivity

Effective membrane separation of Li + from Na + and Mg 2+ is crucial for lithium extraction from water yet challenging for conventional polymeric membranes. Two dimensional (2D) membranes with ordered laminar structures and tunable physicochemical properties offer distinctive ion-sieving capabilities promising for lithium extraction. Recently, phyllosilicates are introduced as abundant and cost-effective source materials for such membranes. However, their water instability and low inherent ion transport selectivity hinder practical applications. Herein, a new class of laminar membranes with excellent stability and tunable ion sieving is reported by incorporating inorganic alumina pillars into vermiculite interlayers. Crosslinking vermiculite flakes with alumina pillars significantly strengthens interlamellar interactions, resulting in robust water stability. Doping of Na + before the pillaring process reverses the membrane's surface charge, substantially boosting Li + separation from multivalent cations via electrostatic interactions. Lithium extraction is often complicated by the presence of co-existing monovalent cations (e.g., Na + ) at higher concentrations. Here, by introducing excess Na + into the membrane after the pillaring process, the separation of Li + from monovalent cations is enhanced through steric effects. This work realizes both monovalent/multivalent and monovalent/monovalent selective ion sieving with the same membrane platform. A separation mechanism is proposed based on Donnan exclusion and size exclusion, providing new insights for membrane design for resource recovery applications.

2D materials↗
DOE OSTI2019

Search for contact interactions and large extra dimensions in the dilepton mass spectra from proton-proton collisions at $ \sqrt{s}=13 $ TeV

A search for nonresonant excesses in the invariant mass spectra of electron and muon pairs is presented. The analysis is based on data from proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the CMS experiment in 2016, corresponding to a total integrated luminosity of 36 fb$^{–1}$. No significant deviation from the standard model is observed. Limits are set at 95% confidence level on energy scales for two general classes of nonresonant models. For a class of fermion contact interaction models, lower limits ranging from 20 to 32 TeV are set on the characteristic compositeness scale Λ. For the Arkani-Hamed, Dimopoulos, and Dvali model of large extra dimensions, the first results in the dilepton final state at 13 TeV are reported, and values of the ultraviolet cutoff parameter Λ$_{T}$ below 6.9 TeV are excluded. A combination with recent CMS diphoton results improves this exclusion to Λ$_{T}$ below 7.7 TeV, providing the most sensitive limits to date in nonhadronic final states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Selective sorption of oxygen and nitrous oxide by an electron donor-incorporated flexible coordination network

Incorporating strong electron donor functionality into flexible coordination networks is intriguing for sorption applications due to a built-in mechanism for electron-withdrawing guests. Here we report a 2D flexible porous coordination network, [Ni 2 (4,4'-bipyridine)(VTTF) 2 ]n(1) (where H 2 VTTF = 2,2;-[1,2-bis(4-benzoic acid)-1,2ethanediylidene]bis-1,3-benzodithiole), which exhibits large structural deformation from the as-synthesized or open phase (1α) into the closed phase (1β) after guest removal, as demonstrated by X-ray and electron diffraction. Interestingly, upon exposure to electron-withdrawing species, 1β reversibly undergoes guest accommodation transitions; 1α$\supset$O 2 (90 K) and 1α$\supset$N 2 O (185 K). Moreover, the 1β phase showed exclusive O 2 sorption over other gases (N 2 , Ar, and CO) at 120 K. The phase transformations between the 1α and 1β phases under these gases were carefully investigated by in-situ X-ray diffraction, in-situ spectroscopic studies, and DFT calculations, validating that the unusual sorption was attributed to the combination of flexible frameworks and VTTF (electron-donor) that induces strong interactions with electron-withdrawing species.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structure of 30 Mg explored via in-beam γ-ray spectroscopy

In the island of inversion, ground states of neutron-rich sd-shell nuclei exhibit strong admixtures of intruder configurations from the fp shell. The nucleus 30 Mg, located at the boundary of the island of inversion, serves as a cornerstone to track the structural evolution as one approaches this region. Spin-parity assignments for excited states in 30 Mg, especially negative-parity levels, have yet to be established. In the present work, the nuclear structure of 30Mg was investigated by in-beam gamma-ray spectroscopy mainly focusing on firm spin-parity determinations. High-intensity rare-isotope beams of 31 Mg, 32 Mg, 34 Si, and 35 P bombarded a Be target to induce nucleon removal reactions populating states in 30 Mg. Gamma rays were detected by the state-of-the-art gamma-ray tracking array GRETINA. For the direct one-neutron removal reaction, final-state exclusive cross sections and parallel momentum distributions were deduced. Multi-nucleon removal reactions from different projectiles were exploited to gain complementary information. With the aid of the parallel momentum distributions, an updated level scheme with revised spin-parity assignments was constructed. Spectroscopic factors associated with each state were also deduced. Results were confronted with large-scale shell-model calculations using two different effective interactions, showing excellent agreement with the present level scheme. Furthermore, a marked difference in the spectroscopic factors indicates that the full delineation of the transition into the island of inversion remains a challenge for theoretical models.

20 ≤ A ≤ 38↗
DOE OSTI2025

Search for low-mass electron-recoil dark matter using a single-charge sensitive SuperCDMS-HVeV Detector

We present constraints on low mass dark matter-electron scattering and absorption interactions using a SuperCDMS high-voltage eV-resolution (HVeV) detector. Data were taken underground in the NEXUS facility located at Fermilab with an overburden of 225 meters of water equivalent. The experiment benefits from the minimizing of luminescence from the printed circuit boards in the detector holder used in all previous HVeV studies. A blind analysis of $6.1\,\mathrm{g\cdot days}$ of exposure produces exclusion limits for dark matter-electron scattering cross-sections for masses as low as $1\,\mathrm{MeV}/c^2$, as well as on the photon-dark photon mixing parameter and the coupling constant between axion-like particles and electrons for particles with masses $>1.2\,\mathrm{eV}/c^2$ probed via absorption processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for new physics in multijet events with at least one photon and large missing transverse momentum in proton-proton collisions at 13 TeV

A search for new physics in final states consisting of at least one photon, multiple jets, and large missing transverse momentum is presented, using proton-proton collision events at a center-of-mass energy of 13 TeV. The data correspond to an integrated luminosity of 137 fb$^{−1}$, recorded by the CMS experiment at the CERN LHC from 2016 to 2018. The events are divided into mutually exclusive bins characterized by the missing transverse momentum, the number of jets, the number of b-tagged jets, and jets consistent with the presence of hadronically decaying W, Z, or Higgs bosons. The observed data are found to be consistent with the prediction from standard model processes. The results are interpreted in the context of simplified models of pair production of supersymmetric particles via strong and electroweak interactions. Depending on the details of the signal models, gluinos and squarks of masses up to 2.35 and 1.43 TeV, respectively, and electroweakinos of masses up to 1.23 TeV are excluded at 95% confidence level.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Fluidized bed coupled rotary reactor for nanoparticles coating via atomic layer deposition

A fluidized bed coupled rotary reactor has been designed for coating on nanoparticles (NPs) via atomic layer deposition. It consists of five major parts: reaction chamber, dosing and fluidizing section, pumping section, rotary manipulator components, as well as a double-layer cartridge for the storage of particles. In the deposition procedure, continuous fluidization of particles enlarges and homogenizes the void fraction in the particle bed, while rotation enhances the gas-solid interactions to stabilize fluidization. The particle cartridge presented here enables both the fluidization and rotation acting on the particle bed, demonstrated by the analysis of pressure drop. Moreover, enlarged interstitials and intense gas–solid contact under sufficient fluidizing velocity and proper rotation speed facilitate the precursor delivery throughout the particle bed and consequently provide a fast coating process. The cartridge can ensure precursors flowing through the particle bed exclusively to achieve high utilization without static exposure operation. By optimizing superficial gas velocities and rotation speeds, minimum pulse time for complete coating has been shortened in experiment, and in situ mass spectrometry showed the precursor usage can reach 90%. Inductively coupled plasma-optical emission spectroscopy results suggested a saturated growth of nanoscale Al{sub 2}O{sub 3} films on spherical SiO{sub 2} NPs. Finally, the uniformity and composition of the shells were characterized by high angle annular dark field-transmission electron microscopy and energy dispersive X-ray spectroscopy.

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

A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions

A new algorithm is proposed to compute quantum mechanically state-to-state differential cross sections for reactions involving four atoms in full dimensionality. This algorithm, which is based on the propagation of an initial state specific wave packet exclusively in reactant coordinates, extracts the S-matrix elements in the product channel by first interpolating the time-dependent wave packet using a collocation method at selected time intervals on the product coordinate grid and then projecting out the contributions of all final product states. Here, this approach is efficient and accurate, particularly for reactions that are dominated by a product well or long-range interactions. Validation of this approach is demonstrated for the H 2 + OH → H + H 2 O reaction.

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

Azimuthal correlations in diffractive scattering at the Electron-Ion Collider

We calculate azimuthal correlations between the exclusively produced vector meson and the scattered electron in Deep Inelastic Scattering processes at the future Electron-Ion Collider (EIC). We identify ``kinematical'' and ``intrinsic'' contributions to these correlations, and show that the correlations are sensitive to the non-trivial correlations in the gluon distribution of the target. Realistic predictions at the EIC kinematics are provided using two different approaches to describe the dipole-proton interaction at relatively small x.

Dumitru, Adrian↗
DOE OSTI2016

Measurement of the Charged-Current Quasi-Elastic Cross-Section for Electron Neutrinos on a Hydrocarbon Target

Appearance-type neutrino oscillation experiments, which observe the transition from muon neutrinos to electron neutrinos, promise to help answer some of the fundamental questions surrounding physics in the post-Standard-Model era. Because they wish to observe the interactions of electron neutrinos in their detectors, and because the power of current results is typically limited by their systematic uncertainties, these experiments require precise estimates of the cross-section for electron neutrino interactions. Of particular interest is the charged-current quasi-elastic (CCQE) process, which gures signi cantly in the composition of the reactions observed at the far detector. However, no experimental measurements of this crosssection currently exist for electron neutrinos; instead, current experiments typically work from the abundance of muon neutrino CCQE cross-section data and apply corrections from theoretical arguments to obtain a prediction for electron neutrinos. Veri cation of these predictions is challenging due to the di culty of constructing an electron neutrino beam, but the advent of modern high-intensity muon neutrino beams|together with the percent-level electron neutrino impurity inherent in these beams| nally presents the opportunity to make such a measurement. We report herein the rst-ever measurement of a cross-section for an exclusive state in electron neutrino scattering, which was made using the MINER A detector in the NuMI neutrino beam at Fermilab. We present the electron neutrino CCQE di erential cross-sections, which are averaged over neutrinos of energies 1-10 GeV (with mean energy of about 3 GeV), in terms of various kinematic variables: nal-state electron angle, nal-state electron energy, and the square of the fourmomentum transferred to the nucleus by the neutrino , Q 2 . We also provide a total cross-section vs. neutrino energy. While our measurement of this process is found to be in agreement with the predictions of the GENIE event generator, we also report on an unpredicted photon-like process we observe in a similar kinematic regime. The absence of this process from models for neutrino interactions is a potential stumbling block for future on-axis neutrino oscillation experiments. We include kinematic and particle species identi cation characterizations which can be used in building models to help address this shortcoming.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Comparative Analysis of Corrinoid Profiles across Host-Associated and Environmental Samples

Vitamin B 12 (the cyanated form of cobalamin cofactors) is best known for its essential role in human health. In addition to its function in human metabolism, cobalamin also plays important roles in microbial metabolism and can impact microbial community function. Cobalamin is a member of the structurally diverse family of cofactors known as cobamides that are produced exclusively by certain prokaryotes. Cobamides are considered shared nutrients in microbial communities because the majority of bacteria that possess cobamide-dependent enzymes cannot synthesize cobamides de novo. Furthermore, different microbes have evolved metabolic specificity for particular cobamides, and therefore, the availability of cobamides in the environment is important for cobamide-dependent microbes. Determining the cobamides present in an environment of interest is essential for understanding microbial metabolic interactions. By examining the abundances of different cobamides in diverse environments, including 10 obtained in this study, we find that, contrary to its preeminence in human metabolism, cobalamin is relatively rare in many microbial habitats. Comparison of cobamide profiles of mammalian gastrointestinal samples and wood-feeding insects reveals that host-associated cobamide abundances vary and that fecal cobamide profiles differ from those of their host gastrointestinal tracts. Environmental cobamide profiles obtained from aquatic, soil, and contaminated groundwater samples reveal that the cobamide compositions of environmental samples are highly variable. As the only commercially available cobamide, cobalamin is routinely supplied during microbial culturing efforts. Furthermore, these findings suggest that cobamides specific to a given microbiome may yield greater insight into nutrient utilization and physiological processes that occur in these habitats.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

From Thorium to Plutonium: Trends in Actinide(IV) Chloride Structural Chemistry

A series of eighteen actinide (IV) compounds were synthesized from acidic aqueous media containing thorium, uranium, or plutonium. The metal cation adopts a variety of different structural units with the general formula [An(H 2 O) x Cl y ] 4-y (x=4-7, y=2-4) or AnCl 6 2- charge balanced by protonated nitrogen-containing heterocycles. Compound identities were classified by single crystal X-ray diffraction and subsequently characterized by Raman, IR, and optical absorption spectroscopies. Discrepancies across the early actinides were observed in this family of An(IV)-chlorides, with Th adopting exclusively Th-aquo-chloro species, Pu forming only PuCl 6 2- , and U residing somewhere in between, crystallizing both as U-aquo-chloro and UCl 6 2- monomeric units. Reports of An-H 2 O-Cl species are largely absent from tetravalent An solid state discussions despite their identification in chloride solutions. Here, the isolation of unique An(IV)-chlorides may be attributed to nonbonding interactions provided by outer coordination sphere counter-ions that could play a role in stabilizing these structural units. Differences in the structural chemistry of Th, U, and Pu also demonstrate a break in the series despite their common oxidation state and nearly identical synthetic procedures.

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

Janthinobacter additions reduce rotifer grazing of microalga Microchloropsis salina in biotically complex communities

Grazing and parasitism in algal production systems are significant causes of crop loss. Biological control of algal ponds, such as application of protective bacteria, represents a promising alternative to current mitigation strategies. The major barriers to probiotic methods are the lack of identified protective bacteria and uncertainty of scale-up effects, including potential negative interactions with the resident algal microbiome. Here, we report that application of Janthinobacter lividum affords robust protection against rotifer (Brachionus plicatilis) grazing on Microchloropsis salina. Protection was observed at laboratory scale from live bacteria and solvent extract additions as well as in biologically complex communities from bacterial additions to outdoor mesocosms. J. lividum persisted in outdoor communities for at least 3 days following addition, and did not lead to selective exclusion of specific taxa in the resident microbiome. These results demonstrate that J. lividum can provide protection against grazers in these diverse communities, without severe effects on the resident microbiome. Our results suggest that J. lividum is a promising treatment to mitigate algal crop losses due to pests. Additionally, the study highlights the importance of an ecologically-informed approach to algal crop management that will aid future applications in the biological control of algal ponds.

09 BIOMASS FUELS↗
DOE OSTI2026

Evaluating the limitations of Bayesian metabolic control analysis

Bayesian Metabolic Control Analysis (BMCA) is a promising framework for inferring metabolic control coefficients in data-limited scenarios, combining Bayesian inference with linear-logarithmic (lin-log) rate laws. These metabolic control coefficients quantify how changes in enzyme activities affect steady-state fluxes and metabolite concentrations across a metabolic network. However, its predictive accuracy and limitations remain underexplored. This study systematically evaluates BMCA’s ability to infer elasticity values, flux control coefficients (FCC), and concentration control coefficients (CCC) under varying data availability conditions using three synthetic metabolic network models. We demonstrate that BMCA predictions are highly dependent on the inclusion of flux and enzyme concentration data, with the omission of these datasets leading to severe inaccuracies. In our synthetic, enzyme-perturbation datasets, external metabolite concentrations had minimal impact and, in some cases, their exclusion improved predictions; when external-nutrient perturbations were introduced and those concentrations were observed, gains were at most modest. Additionally, we find that posterior estimation with both ADVI and HMC can underestimate large-magnitude elasticities in our synthetic settings, with ADVI showing somewhat higher variance under strong up-regulation; thus, recovering |elasticity| ≳ 1.5 remains challenging regardless of the inference engine. ADVI also fails to accurately infer allosteric interactions, even when regulatory effects are strong. While BMCA maintains reasonable accuracy in partially recovering the rankings of the highest FCC values, its estimates of absolute values remain constrained by prior assumptions and data limitations. Our findings reveal the BMCA algorithm’s strengths and weaknesses, providing guidance on its application in metabolic engineering, and highlighting the need for methodological refinements to enhance its predictive capabilities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Measurement of Muon Neutrino Charged Current Single $\pi^0$ Production on Hydrocarbon using MINERvA

A sample of charged-current single pion production events for the semi- exclusive channel ν µ + CH → µ - π 0 + nucleon(s) has been obtained using neutrino exposures of the MINERvA detector. Differential cross sections for muon momentum, muon production angle, pion momentum, pion production angle, and four-momentum transfer square Q 2 are reported and are compared to a GENIE-based simulation. The cross section versus neutrino energy is also re- ported. The effects of pion final-state interactions on these cross sections are investigated. The effect of baryon resonance suppression at low Q 2 is examined and an event re-weight used by two previous experiments is shown to improve the data versus simulation agreement. The differential cross sections for Q 2 for Eν < 4.0 GeV and E ν ≥ 4.0 GeV are examined and the shapes of these distributions are compared to those from the experiment’s $\bar{v}$ µ -CC (π 0 ) measurement. The polarization of the pπ 0 system is measured and compared to the simulation predictions. The hadronic invariant mass W distribution is examined for evidence of resonance content, and a search is reported for evidence of a two-particle two-hole (2p2h) contribution. All of the differential cross-section measurements of this Thesis are compared with published MINERvA measurements for ν µ -CC (π + ) and \bar{v}$ µ -CC (π 0 ) processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A Simple Technique to Improve Microcrystals Using Gel Exclusion of Nucleation Inducing Elements

A technique is described for generating large well diffracting crystals from conditions that yield microcrystals. Crystallization using this technique is both rapid (crystals appear in <1 h) and robust (48 out of 48 co-crystallized with a fragment library, compared with 26 out of 48 using conventional hanging drop). Agarose gel is used to exclude nucleation inducing elements from the remaining crystallization cocktail. The chemicals in the crystallization cocktail are partitioned into high concentration components (presumed to induce aggregation by reducing water activity) and low concentration nucleation agents (presumed to induce nucleation through direct interaction). The nucleation agents are then combined with 2% agarose gel and deposited on the crystallization shelf of a conventional vapor diffusion plate. The remaining components are mixed with the protein and placed in contact with the agarose drop. This technique yielded well diffracting crystals of lysozyme, cubic insulin, proteinase k, and ferritin (ferritin crystals diffracted to 1.43 Å). The crystals grew rapidly, reaching large size in less than one hour (maximum size was achieved in 1–12 h). This technique is not suitable for poorly expressing proteins because small protein volumes diffuse out of the agarose gel too quickly. Nonetheless, it is a useful technique for situations where crystals must grow rapidly (such as educational applications and preparation of beamline test specimens) and in situations where crystals must grow robustly (such as co-crystallization with a fragment library).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Exclusive µ+Np topologies with ArgoNeuT

The Argon Neutrino Test, ArgoNeuT, is a small scale Liquid Argon Time Projection Chamber (LAr TPC) that is one step towards the construction of large scale LAr TPCs for long-baseline neutrino physics. LArTPCs provide bubble-chamber-like quality images for excellent particle ID and background rejection. Due to its superb capabilities it is well suited for topological analysis by reporting what it sees in a final state. Preliminary analysis of ArgoNeuT’s 0.1 to 10 GeV neutrino µ+Np topologies together with first ever study of proton multiplicities in neutrino-argon interactions was presented and compared with GENIE Monte Carlo generator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Structural and functional analysis of human HtrA3 protease and its subdomains

Human HtrA3 protease, which induces mitochondria-mediated apoptosis, can be a tumor suppressor and a potential therapeutic target in the treatment of cancer. However, there is little information about its structure and biochemical properties. HtrA3 is composed of an N-terminal domain not required for proteolytic activity, a central serine protease domain and a C-terminal PDZ domain. HtrA3S, its short natural isoform, lacks the PDZ domain which is substituted by a stretch of 7 C-terminal amino acid residues, unique for this isoform. This paper presents the crystal structure of the HtrA3 protease domain together with the PDZ domain (ΔN-HtrA3), showing that the protein forms a trimer whose protease domains are similar to those of human HtrA1 and HtrA2. The ΔN-HtrA3 PDZ domains are placed in a position intermediate between that in the flat saucer-like HtrA1 SAXS structure and the compact pyramidal HtrA2 X-ray structure. The PDZ domain interacts closely with the LB loop of the protease domain in a way not found in other human HtrAs. ΔN-HtrA3 with the PDZ removed (ΔN-HtrA3-ΔPDZ) and an N-terminally truncated HtrA3S (ΔN-HtrA3S) were fully active at a wide range of temperatures and their substrate affinity was not impaired. This indicates that the PDZ domain is dispensable for HtrA3 activity. As determined by size exclusion chromatography, ΔN-HtrA3 formed stable trimers while both ΔN-HtrA3-ΔPDZ and ΔN-HtrA3S were monomeric. This suggests that the presence of the PDZ domain, unlike in HtrA1 and HtrA2, influences HtrA3 trimer formation. The unique C-terminal sequence of ΔN-HtrA3S appeared to have little effect on activity and oligomerization. Additionally, we examined the cleavage specificity of ΔN-HtrA3. Results reported in this paper provide new insights into the structure and function of ΔN-HtrA3, which seems to have a unique combination of features among human HtrA proteases.

59 BASIC BIOLOGICAL SCIENCES↗