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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Search for high-mass new phenomena in the dilepton final state using proton–proton collisions at s = 13 TeV with the ATLAS detector

A search is conducted for both resonant and non-resonant high-mass new phenomena in dielectron and dimuon final states. The search uses 3.2 fb-1of proton–proton collision data, collected at √s = 13 TeV by the ATLAS experiment at the LHC in 2015. The dilepton invariant mass is used as the discriminating variable. No significant deviation from the Standard Model prediction is observed; therefore limits are set on the signal model parameters of interest at 95% credibility level. Upper limits are set on the cross-section times branching ratio for resonances decaying to dileptons, and the limits are converted into lower limits on the resonance mass, ranging between 2.74 TeV and 3.36 TeV, depending on the model. Lower limits on the ℓℓqq contact interaction scale are set between 16.7 TeV and 25.2 TeV, also depending on the model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Search for a new scalar decaying into new spin-1 bosons in four-lepton final states with the ATLAS detector

A search is conducted for a new scalar boson S, with a mass distinct from that of the Higgs boson, decaying promptly into four leptons ( ℓ = e , μ) via an intermediate state containing two on-shell, promptly decaying new spin-1 bosons Z d : S → Z d Z d → 4 ℓ , where the Z d boson has a mass between 15 and 300 GeV, and the S boson has a mass between either 30 and 115 GeV or 130 and 800 GeV. The search uses proton–proton collision data collected with the ATLAS detector at the Large Hadron Collider with an integrated luminosity of 139 fb−1 at a centre-of-mass energy of s = 13 TeV. No significant excess above the Standard Model background expectation is observed. Upper limits at 95% confidence level are set on the production cross-section times branching ratio, σ ( g g → S ) × B ( S → Z d Z d → 4 ℓ ) , as a function of the mass of both particles, m S and m Z d .

Aad, G↗
DOE OSTI2012

Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal-Organic Frameworks

Three new metal-organic frameworks [MOF-525, Zr 6 O 4 (OH) 4 (TCPP-H 2 ) 3 ; MOF-535, Zr 6 O 4 (OH) 4 (XF) 3 ; MOF-545, Zr 6 O 8 (H 2 O) 8 (TCPP-H 2 ) 2 , where porphyrin H 4 -TCPP-H 2 = (C 48 H 24 O 8 N 4 ) and cruciform H 4 -XF = (C 42 O 8 H 22 )] based on two new topologies, ftw and csq, have been synthesized and structurally characterized. MOF-525 and -535 are composed of Zr 6 O 4 (OH) 4 cuboctahedral units linked by either porphyrin (MOF-525) or cruciform (MOF-535). Another zirconium-containing unit, Zr 6 O 8 (H 2 O) 8 , is linked by porphyrin to give the MOF-545 structure. The structure of MOF-525 was obtained by analysis of powder X-ray diffraction data. The structures of MOF-535 and -545 were resolved from synchrotron single-crystal data. MOF-525, -535, and -545 have Brunauer-Emmett-Teller surface areas of 2620, 1120, and 2260 m 2 /g, respectively. In addition to their large surface areas, both porphyrin-containing MOFs are exceptionally chemically stable, maintaining their structures under aqueous and organic conditions. MOF-525 and -545 were metalated with iron(III) and copper(II) to yield the metalated analogues without losing their high surface area and chemical stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Binding of [alpha, alpha]-Disubstituted Amino Acids to Arginase Suggests New Avenues for Inhibitor Design

Arginase is a binuclear manganese metalloenzyme that hydrolyzes L-arginine to form L-ornithine and urea, and aberrant arginase activity is implicated in various diseases such as erectile dysfunction, asthma, atherosclerosis, and cerebral malaria. Accordingly, arginase inhibitors may be therapeutically useful. Continuing our efforts to expand the chemical space of arginase inhibitor design and inspired by the binding of 2-(difluoromethyl)-L-ornithine to human arginase I, we now report the first study of the binding of {alpha},{alpha}-disubstituted amino acids to arginase. Specifically, we report the design, synthesis, and assay of racemic 2-amino-6-borono-2-methylhexanoic acid and racemic 2-amino-6-borono-2-(difluoromethyl)hexanoic acid. X-ray crystal structures of human arginase I and Plasmodium falciparum arginase complexed with these inhibitors reveal the exclusive binding of the L-stereoisomer; the additional {alpha}-substituent of each inhibitor is readily accommodated and makes new intermolecular interactions in the outer active site of each enzyme. Therefore, this work highlights a new region of the protein surface that can be targeted for additional affinity interactions, as well as the first comparative structural insights on inhibitor discrimination between a human and a parasitic arginase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Simulating a Mesoscale Convective System Using WRF with a New Spectral Bin Microphysics: Part 1: Hail vs Graupel

A modified Fast Spectral Bin Microphysics scheme (FSBM-2) embedded into the Weather Research and Forecasting Model (WRF) is used to simulate a mesoscale deep convective system observed during the Midlatitude Continental Convective Clouds Experiment (MC3E). FSBM-2 uses modified source codes as compared to the current FSBM (FSBM-1). In contrast to FSBM-1, FSBM-2 can simulate hail of several cm in diameter and includes additional processes such as spontaneous breakup of raindrops and aerosol regeneration by drop evaporation. It is shown that allowing large hail particles of diameters exceeding about 1 cm substantially increases the agreement between the simulated and observed squall-line structures both in the convective and stratiform regions. In contrast, if graupel particles are used to represent high-density hydrometeors in convective areas, the ratio of convective-to-stratiform areas diverges from the ratio seen in observations and maximum radar reflectivities are substantially underestimated. Analysis of snow size distributions in the stratiform area shows an important link between the ice crystals formed by homogeneous freezing in the convective area to ice particle number concentration in the stratiform region. Simulated raindrop size distributions in the stratiform area below the melting level from FSBM-2 show a good agreement with observations. The regeneration of CCN by droplet evaporation and detrainment of these CCN to the stratiform region increases the concentration of CCN there up to 8-9 km altitude; the additional CCN penetrate clouds and produce new droplets, leading to some convection intensification. Key words: Mesoscale convective systems (MCS), squall lines, spectral bin microphysics, large hail, in-cloud nucleation, size distributions of hydrometeors in MCS.

Shpund, Kobby↗
DOE OSTI2015

Rapid selective sweep of pre-existing polymorphisms and slow fixation of new mutations in experimental evolution of Desulfovibrio vulgaris

To investigate the genetic basis of microbial evolutionary adaptation to salt (NaCl) stress, populations of Desulfovibrio vulgaris Hildenborough (DvH), a sulfate-reducing bacterium important for the biogeochemical cycling of sulfur, carbon and nitrogen, and potentially the bioremediation of toxic heavy metals and radionuclides, were propagated under salt stress or non-stress conditions for 1200 generations. Whole-genome sequencing revealed 11 mutations in salt stress-evolved clone ES9-11 and 14 mutations in non-stress-evolved clone EC3-10. Whole-population sequencing data suggested the rapid selective sweep of the pre-existing polymorphisms under salt stress within the first 100 generations and the slow fixation of new mutations. Population genotyping data demonstrated that the rapid selective sweep of pre-existing polymorphisms was common in salt stress-evolved populations. In contrast, the selection of pre-existing polymorphisms was largely random in EC populations. Consistently, at 100 generations, stress-evolved population ES9 showed improved salt tolerance, namely increased growth rate (2.0-fold), higher biomass yield (1.8-fold) and shorter lag phase (0.7-fold) under higher salinity conditions. The beneficial nature of several mutations was confirmed by site-directed mutagenesis. All four tested mutations contributed to the shortened lag phases under higher salinity condition. In particular, compared with the salt tolerance improvement in ES9-11, a mutation in a histidine kinase protein gene lytS contributed 27% of the growth rate increase and 23% of the biomass yield increase while a mutation in hypothetical gene DVU2472 contributed 24% of the biomass yield increase. Our results suggested that a few beneficial mutations could lead to dramatic improvements in salt tolerance.

Zhou, Aifen↗
DOE OSTI2022

Synthesis and structural characterization of the new Zintl phases Eu 10 Mn 6 Bi 12 and Yb 10 Zn 6 Sb 12

Two new ternary compounds, Eu 10 Mn 6 Bi 12 and Yb 10 Zn 6 Sb 12 , were synthesized and structurally characterized. The synthesis was achieved either through reactions in sealed niobium tubes or in alumina crucibles by combining the elements in excess molten Sb. Their structures were elucidated using single-crystal X-ray diffraction, and they were determined to crystallize in the orthorhombic space group Cmmm (no. 65) with the Eu 10 Cd 6 Bi 12 structure type. Akin to the archetype phase, both Mn and Zn sites contain about 25% of vacancies. Furthermore, the anionic substructure of the title phases can be described as [M 6 Pn 12 ] (M = Zn, Mn; Pn = Sb, Bi) double layers composed of the corner and edge-sharing [MPn 4 ] tetrahedra, linked by [Pn 2 ] 4– dumbbells. Eu 2+ /Yb 2+ cations fill the space between the layers, with the valence electron counts adhering closely to the Zintl–Klemm rules, i.e., both Eu 10 Mn 6 Bi 12 and Yb 10 Zn 6 Sb 12 are expected to be valence-precise compounds. Analysis of the electronic structure and transport properties of Yb 10 Zn 6 Sb 12 indicate semimetallic behavior with relatively low Seebeck coefficient and resistivity that slightly decreases as a function of temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hydrogen applications in airport operations: a review using the Port Authority of New York and New Jersey as an illustrative airport system

Airports combine aircraft propulsion, ground operations, stationary power systems, and fuel logistics in ways that make emissions reduction technically and operationally complex. Existing studies often assess hydrogen applications in these areas separately, limiting understanding of the shared infrastructure, safety, and operational constraints that shape airport deployment. This review evaluates hydrogen across three airport-relevant operational domains: aviation propulsion, ground support equipment and vehicles, and stationary power systems. Within aviation propulsion, the review examines sustainable aviation fuel production and hydrogen-powered aircraft as two distinct hydrogen-relevant pathways. The Port Authority of New York and New Jersey is used as an illustrative airport system to relate the literature to a real operating context. Drawing on peer-reviewed studies, technical reports, demonstration projects, and public operational information, the review also includes screening-level calculations of hydrogen demand and potential CO 2 e reductions for selected applications. The findings show that hydrogen's role is highly application-specific. Near-term opportunities are strongest where hydrogen serves as a low-carbon process input, supports selected high-utilization ground equipment, or contributes to resilient stationary power-system configurations. Hydrogen-powered aircraft remain a longer-term option because storage, fueling infrastructure, certification, cost, and NO x management continue to constrain deployment. Across all domains, infrastructure readiness, fuel logistics, safety requirements, and leakage management emerge as recurring determinants of viability. Future research should focus on cross-domain infrastructure planning, comparative assessment of hydrogen against alternative pathways, improved treatment of leakage and non-CO 2 effects, and clearer safety and regulatory frameworks for airport deployment.

08 HYDROGEN↗
DOE OSTI2017

The ortho-to-para ratio of H 2 Cl + : Quasi-classical trajectory calculations and new simulations in light of new observations

Multi-hydrogenated species with proper symmetry properties can present different spin configurations, and thus exist under different spin symmetry forms, labeled as para and ortho for two-hydrogen molecules. We investigated here the ortho-to-para ratio (OPR) of H 2 Cl + in the light of new observations performed in the z = 0.89 absorber toward the lensed quasar PKS 1830-211 with the Atacama Large Millimeter/submillimeter Array (ALMA). Two independent lines of sight were observed, to the southwest (SW) and northeast (NE) images of the quasar, with OPR values found to be 3.15 ± 0.13 and 3.1 ± 0.5 in each region, respectively, in agreement with a spin statistical weight of 3:1. An OPR of 3:1 for a molecule containing two identical hydrogen nuclei can refer to either a statistical result or a high-temperature limit depending on the reaction mechanism leading to its formation. It is thus crucial to identify rigorously how OPRs are produced in order to constrain the information that these probes can provide. To understand the production of the H 2 Cl + OPR, we undertook a careful theoretical study of the reaction mechanisms involved with the aid of quasi-classical trajectory calculations on a new global potential energy surface fit to a large number of high-level ab initio data. Our study shows that the major formation reaction for HH 2 Cl + produces this ion via a hydrogen abstraction rather than a scrambling mechanism. Finally, such a mechanism leads to a 3:1 OPR, which is not changed by destruction and possible thermalization reactions for H 2 Cl + and is thus likely to be the cause of observed 3:1 OPR ratios, contrary to the normal assumption of scrambling.

211↗
DOE OSTI2012

Design and performance of a new induction furnace for heat treatment of superconducting radiofrequency niobium cavities

Superconducting radio frequency (SRF) cavities made of high purity niobium (Nb) are the building blocks of many modern particle accelerators. The fabrication process includes several cycles of chemical and heat treatment at low ({approx}120 Degree-Sign C) and high ({approx}800 Degree-Sign C) temperatures. In this contribution, we describe the design and performance of an ultra-high-vacuum furnace which uses an induction heating system to heat treat SRF cavities. Cavities are heated by radiation from the Nb susceptor. By using an all-niobium hot zone, contamination of the Nb cavity by foreign elements during heat treatment is minimized and allows avoiding subsequent chemical etching. The furnace was operated up to 1400 Degree-Sign C with a maximum pressure of {approx}1 Multiplication-Sign 10{sup -5} Torr and the maximum achievable temperature is estimated to be higher than 2000 Degree-Sign C. Initial results on the performance of a single cell 1.5 GHz cavity made of ingot Nb heat treated at 1200 Degree-Sign C using this new induction furnace and without subsequent chemical etching showed a reduction of the RF losses by a factor of {approx}2 compared to cavities made of fine-grain Nb which underwent standard chemical and heat treatments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

A new method for imaging nuclear threats using cosmic ray muons

Muon tomography is a technique that uses cosmic ray muons to generate three-dimensional images of volumes using information contained in the Coulomb scattering of the muons. Advantages of this technique are the ability of cosmic rays to penetrate significant overburden and the absence of any additional dose delivered to subjects under study beyond the natural cosmic ray flux. Disadvantages include the relatively long exposure times and poor position resolution and complex algorithms needed for reconstruction. Furthermore, we demonstrate a new method for obtaining improved position resolution and statistical precision for objects with spherical symmetry.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

On quantum Rényi entropies: A new generalization and some properties

The Rényi entropies constitute a family of information measures that generalizes the well-known Shannon entropy, inheriting many of its properties. They appear in the form of unconditional and conditional entropies, relative entropies, or mutual information, and have found many applications in information theory and beyond. Various generalizations of Rényi entropies to the quantum setting have been proposed, most prominently Petz's quasi-entropies and Renner's conditional min-, max-, and collision entropy. However, these quantum extensions are incompatible and thus unsatisfactory. We propose a new quantum generalization of the family of Rényi entropies that contains the von Neumann entropy, min-entropy, collision entropy, and the max-entropy as special cases, thus encompassing most quantum entropies in use today. We show several natural properties for this definition, including data-processing inequalities, a duality relation, and an entropic uncertainty relation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗