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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Very small-scale, segregating-fluidized-bed experiments: A dataset for CFD-DEM validation and uncertainty quantification

IWe report fluidization experiments were conducted on a small scale and with a rapid response (short duration) to enable corresponding simulations at low-computational cost. Rise times are reported for four or fewer polyethylene particles (intruders) in an air-fluidized bed of ~5000 group D glass beads. Experimental inputs were completely characterized—particle properties, system dimensions and operating conditions—which is necessary for validating computational fluid mechanics (CFD)-discrete element method (DEM) including a comprehensive uncertainty quantification (UQ) analysis. Input uncertainties are reported as bounds or cumulative distribution functions of measured values. The staggering number of simulations required to complete a UQ analysis (~O[10 4 ] simulations corresponding to ~5 uncertain inputs) motivates this study. These segregating-bed experiments are designed to permit analogous CFD-DEM simulations to complete in less than a day on a single (~2.5 GHz) computational processor unit (CPU). Segregation times are reported for several operating conditions, intruder sizes, and initial configurations, providing a rich dataset for numerical model testing, validation and UQ.

42 ENGINEERING↗
DOE OSTI2021

Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds Using Isotopic Labeling

Abstract: Surface functionalization of two-dimensional crystals is a key path to tuning their intrinsic physical and chemical properties. However, synthetic protocols and experimental strategies to directly probe chemical bonding in modified surfaces are scarce. Introduced here is a mild, surface-specific protocol for the surface functionalization of few-layer black phosphorus nanosheets using a family of photolytically generated nitrenes (RN) from the corresponding azides. By embedding spectroscopic tags in the organic backbone, a multitude of characterization techniques are employed to investigate in detail the chemical structure of the modified nanosheets, including vibrational (infrared, Raman), Xray (emission, photoelectron), CPMAS NMR, and UV-vis spectroscopy. To directly probe the functional groups introduced on the surface, R fragments were selected such that in conjunction with vibrational spectroscopy, 15N-labeling experiments, and DFT methods, diagnostic P=N vibrational modes indicative of iminophosphorane units on the nanosheet surface could be conclusively identified.

Walz, Kendall↗
DOE OSTI2025

New Phosphoranylideneketenes and Phosphoranylidenethioketenes‐Synthesis, Structure, Spectroscopy, and Lewis Base Properties

Posphoranylideneketene Ph 3 PCCO and its sulfur analogue, Ph 3 PCCS, are cumulated ylides that exhibit diverse reactivity and distinct structural features. Herein, we present the first systematic study of substituent effects on the structures and bonding of a series of aryl- and alkyl-substituted phosphoranylideneketenes, R 3 PCCO [R = Et, cyclohexyl, NMe 2 , 4-Me 2 N-C 6 H 4 , 4-MeO-C 6 H 4 , 4-CF 3 -C 6 H 4 , 3,5-(CF 3 ) 2 -C 6 H 3 ], prepared from the corresponding phosphonium salts, [R 3 PCH 2 COOEt]X (X = Br, I) and two equivalents of Na[N(SiMe 3 ) 2 ]. Multinuclear NMR and IR spectroscopy, supported by single-crystal X-ray diffraction, revealed that the bond strength within the central P═C═C═O fragment increases with the electron-deficiency of the aryl substituents at phosphorus. The corresponding phosphoranylidenethioketenes, R 3 PCCS (R = Et, cyclohexyl, NMe 2 , 4-Me 2 N-C 6 H 4 , 4-MeO-C 6 H 4 , 4-CF 3 -C 6 H 4 ), were obtained by reactions of R 3 PCCO with CS 2 . Here, the rate of conversion of R 3 PCCO into R 3 PCCS decreases with increasing electron deficiency at phosphorus. Both R 3 PCCO and R 3 PCCS act as relatively weak ambidentate Lewis donors, yet they form stable acid-base adducts with strong Lewis acids such as B(C 6 F 5 ) 3 and Al(C 6 F 5 ) 3 .

Lewis acid-base adduct↗
DOE OSTI2020

Leveraging Actinide Hydrolysis Chemistry for Targeted Th and U Separations using Amidoxime-Functionalized Poly(HIPE)s

Polymerized high internal phase emulsions (poly(HIPE)s) are porous polymer monoliths whose synthesis can easily be tailored to allow incorporation of functional units. In this work, nitrile containing poly(HIPE)s have been prepared with either acrylonitrile (AN) or 4-cyanostyrene (4CS) comonomers. Post-synthetic modification of these nitrile-containing poly(HIPE)s yields their corresponding amidoximated analogues, which were studied for actinide uptake. These amidoxime-functionalized, porous polymers were shown to adsorb 95 % Th4+ species from aqueous solution within 30 minutes. In contrast to other amidoxime containing polymers the uptake of UO22+ in these poly(HIPE)s is lower under similar conditions. A critical analysis of actinide separations and high-energy X-ray scattering data provides insight into the polymers’ selectivity, enabled by the uptake of multinuclear Th clusters.

actinides↗
DOE OSTI2025

Unraveling Electronic Effects that Influence the Bimolecular Chemistry of Fluorinated Criegee Intermediates

Ozonolysis is important for the removal of unsaturated volatile organic compounds emitted into the Earth's atmosphere. The alkene + ozone reaction (alkene ozonolysis) forms a carbonyl oxide – a Criegee intermediate (CI). CIs are interesting from an atmospheric chemistry perspective. They are implicated in enhancing the oxidizing capacity of the troposphere and in secondary organic aerosol formation. CIs may participate in bimolecular reactions with trace atmospheric vapors like water and methanol. Here, the chemistry of the two isomers of CFHOO and of CF 3 CHOO with water, water dimer, and methanol is explored. The present study confirms that the syn-conformer is the minimum energy structure for both CIs and that the reactions of anti-CFHOO display slightly lower activation energies cf. syn-CFHOO, thus promoting faster reaction. For both syn- and anti-CFHOO, the energy barrier in the pathway to adding water, water dimer, or methanol is lower—and the overall reaction exoergicity greater—than for the corresponding reactions involving the nonfluorinated analogue, CH 2 OO. Here, the corresponding bimolecular reaction rates are thus predicted to be faster for CFHOO than CH 2 OO. Similar reactivity trends are found when comparing the same reactions of syn-CF 3 CHOO, cf. syn-CH 3 CHOO, but not when comparing the energetics of the reactions involving anti-CF 3 CHOO cf. anti-CH 3 CHOO.

Guidry, Lily M. [University of Louisiana at Lafaye↗
DOE OSTI2022

Advantages of a variable‐resolution global climate model in reproducing the seasonal evolution of East Asian summer monsoon

Abstract The East Asian summer monsoon (EASM) is unique among monsoon systems that it features meridional evolution of the summer monsoon. In this study, we evaluate the performances of a Variable‐Resolution Community Earth System Model (VR‐CESM) regionally refined over eastern China (14 km) in reproducing the seasonal evolution of EASM precipitation over China. Compared with reference datasets, VR‐CESM shows better performance than the corresponding globally uniform coarse‐resolution model CESM (quasi‐uniform 1°), especially over western China where complex local topography exists. The northward monsoon migration is closely related to low‐level southerly flows and vertical moisture advection, which are more reasonably simulated in VR‐CESM. The four critical timings of the EASM (monsoon onset, withdrawal, peak, and duration) are also better captured in VR‐CESM than in CESM. The corresponding spatial Pearson correlation coefficients of the four critical timings with respect to reference datasets are about 0.1 higher in VR‐CESM than those in CESM. Both models are most accurate in simulating monsoon onset and least accurate at simulating the monsoon peak. The overestimated zonal thermal contrast in CESM is responsible for the earlier monsoon onset and excessive precipitation in September over the Yangtze River valley. Finer resolution in VR‐CESM, especially over the Tibetan Plateau (TP), appears to be a main factor in simulating better zonal thermal contrast and seasonal evolution of the EASM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Characterization of promoter elements of isoprene‐responsive genes and the ability of isoprene to bind START domain transcription factors

Abstract Isoprene has recently been proposed to be a signaling molecule that can enhance tolerance of both biotic and abiotic stress. Not all plants make isoprene, but all plants tested to date respond to isoprene. We hypothesized that isoprene interacts with existing signaling pathways rather than requiring novel mechanisms for its effect on plants. We analyzed the cis‐regulatory elements (CREs) in promoters of isoprene‐responsive genes and the corresponding transcription factors binding these promoter elements to obtain clues about the transcription factors and other proteins involved in isoprene signaling. Promoter regions of isoprene‐responsive genes were characterized using the Arabidopsis cis‐regulatory element database. CREs bind ARR1, Dof, DPBF, bHLH112, GATA factors, GT‐1, MYB, and WRKY transcription factors, and light‐responsive elements were overrepresented in promoters of isoprene‐responsive genes; CBF‐, HSF‐, WUS‐binding motifs were underrepresented. Transcription factors corresponding to CREs overrepresented in promoters of isoprene‐responsive genes were mainly those important for stress responses: drought‐, salt/osmotic‐, oxidative‐, herbivory/wounding and pathogen‐stress. More than half of the isoprene‐responsive genes contained at least one binding site for TFs of the class IV (homeodomain leucine zipper) HD‐ZIP family, such as GL2, ATML1, PDF2, HDG11, ATHB17. While the HD‐zipper‐loop‐zipper (ZLZ) domain binds to the L1 box of the promoter region, a special domain called the steroidogenic acute regulatory protein‐related lipid transfer, or START domain, can bind ligands such as fatty acids (e.g., linolenic and linoleic acid). We tested whether isoprene might bind in such a START domain. Molecular simulations and modeling to test interactions between isoprene and a class IV HD‐ZIP family START‐domain‐containing protein were carried out. Without membrane penetration by the HDG11 START domain, isoprene within the lipid bilayer was inaccessible to this domain, preventing protein interactions with membrane bound isoprene. The cross‐talk between isoprene‐mediated signaling and other growth regulator and stress signaling pathways, in terms of common CREs and transcription factors could enhance the stability of the isoprene emission trait when it evolves in a plant but so far it has not been possible to say what how isoprene is sensed to initiate signaling responses.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

On the Pressure Generated by Thermite Reactions Using Stress-Altered Aluminum Particles

Here we examine pressure build-up and decay in thermites upon impact ignition and interprets reactivity based on the holistic pressure history. The thermite is a mixture of aluminum (Al) combined with bismuth trioxide (Bi 2 O 3 ) powder. Four different Al particles sizes were examined that ranged from 100 nm to 18.5 μm mean diameter and for each size, two different Al powder treatments were examined: stress-altered compared to untreated, as-received Al powder. Stress-altered Al powders have been shown to be more reactive, such that the stress-altered Al powder thermites offer a metric for analyzing thermite reactivity in terms of pressure development compared to untreated Al powder. In a binary thermite system, multiple phase changes and interface chemistry influence the transient pressure response during reaction. Results reveal three key pressure metrics that need consideration specifically for thermite combustion: (1) delay time to peak pressure, (2) peak pressure, and (3) decay after peak pressure. Our experiments show that a lower peak pressure corresponds with higher thermite reactivity because aluminum consumption of oxygen generated by decomposing solid oxidizer reduces the peak pressure. Faster rates of reaction consume oxygen at higher rates such that pressure development becomes more limited than less reactive thermites and the result is a lower peak pressure. This conclusion is opposite of traditional studies using metal fuels with a gaseous environment that typically show higher peak pressures correspond with greater reactivity.

42 ENGINEERING↗
DOE OSTI2020

Generic Construction of the Standard Model Gauge Group and Matter Representations in F-theory

In this work, we describe general classes of 6D and 4D F-theory models with gauge group (SU(3)×SU(2)×U(1))/Z 6 . For 6D F-theory models with no tensor multiplets, we prove that this set of constructions gives all possible consistent supergravity theories with this gauge group and the corresponding generic matter representations, which include those of the MSSM. We expect, though do not prove, that these models are similarly generic for 6D theories with tensor multiplets and for 4D N=1 supergravity theories. Finally, the models in the largest class of these constructions come from deforming an underlying geometry with SU(4)×SU(3)×SU(2), corresponding to Higgsing on three bifundamental fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

On the BPS Sector in AdS 3 /CFT 2 Holography

Abstract The BPS sector in duality has been fertile ground for the exploration of gauge/gravity duality, from the match between black hole entropy and the CFT elliptic genus to the construction of large families of geometrical microstates and the identification of the corresponding states in the CFT. Worldsheet methods provide a tool to further explore the relation between string theory in the bulk and corresponding CFT quantities. We show how to match individual BPS strings to their counterparts in the symmetric product orbifold CFT. In the process, we find an exact match between known constructions of microstate geometries and condensates of BPS supergraviton strings, and discuss their role in the broader collection of BPS states. In particular, we explore how microstate geometries develop singularities; and how string theory resolves these singularities through the appearance of “tensionless” string dynamics, which is the continuation of structures found in the weak‐coupling CFT into the strongly coupled regime described by string theory in the bulk. We argue that such “tensionless” strings are responsible for black hole microstructure in the bulk description.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

New magnetic symmetries in (d + 2)-dimensional QED

Previous analyses of asymptotic symmetries in QED have shown that the subleading soft photon theorem implies a Ward identity corresponding to a charge generating divergent large gauge transformations on the asymptotic states at null infinity. In this work, we demonstrate that the subleading soft photon theorem is equivalent to a more general Ward identity. The charge corresponding to this Ward identity can be decomposed into an electric piece and a magnetic piece. The electric piece generates the Ward identity that was previously studied, but the magnetic piece is novel, and implies the existence of an additional asymptotic “magnetic” symmetry in QED.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Evidence for Higgs boson decay to a pair of muons

Evidence for Higgs boson decay to a pair of muons is presented. This result combines searches in four exclusive categories targeting the production of the Higgs boson via gluon fusion, via vector boson fusion, in association with a vector boson, and in association with a top quark-antiquark pair. The analysis is performed using proton-proton collision data at $ \sqrt{s} $ = 13 TeV, corresponding to an integrated luminosity of 137 fb$^{−1}$, recorded by the CMS experiment at the CERN LHC. An excess of events over the back- ground expectation is observed in data with a significance of 3.0 standard deviations, where the expectation for the standard model (SM) Higgs boson with mass of 125.38 GeV is 2.5. The combination of this result with that from data recorded at $ \sqrt{s} $ = 7 and 8 TeV, corresponding to integrated luminosities of 5.1 and 19.7 fb$^{−1}$, respectively, increases both the expected and observed significances by 1%. The measured signal strength, relative to the SM prediction, is $ {1.19}_{-0.39}^{+0.40}{\left(\mathrm{stat}\right)}_{-0.14}^{+0.15}\left(\mathrm{syst}\right) $. This result constitutes the first evidence for the decay of the Higgs boson to second generation fermions and is the most precise measurement of the Higgs boson coupling to muons reported to date.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Measurement of the W boson mass

The W boson mass is measured using proton-proton collision data at $\sqrt{s}$ = 13 TeV corresponding to an integrated luminosity of 1.7 fb -1 recorded during 2016 by the LHCb experiment. With a simultaneous fit of the muon $q/ρ_T$ distribution of a sample of W →$μv$ decays and the $\phi^*$ distribution of a sample of Z → $μμ$ decays the W boson mass is determined to be $m_w$ =80354±23 stat ±10 exp ±17 theory ±9 PDF MeV, where uncertainties correspond to contributions from statistical, experimental systematic, theoretical and parton distribution function sources. This is an average of results based on three recent global parton distribution function sets. The measurement agrees well with the prediction of the global electroweak fit and with previous measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Null Raychaudhuri: canonical structure and the dressing time

Abstract We initiate a study of gravity focusing on generic null hypersurfaces, non-perturbatively in the Newton coupling. We present an off-shell account of the extended phase space of the theory, which includes the expected spin-2 data as well as spin-0, spin-1 and arbitrary matter degrees of freedom. We construct the charges and the corresponding kinematic Poisson brackets, employing a Beltrami parameterization of the spin-2 modes. We explicitly show that the constraint algebra closes, the details of which depend on the non-perturbative mixing between spin-0 and spin-2 modes. Finally we show that the spin zero sector encodes a notion of a clock, called dressing time, which is dynamical and conjugate to the constraint. It is well-known that the null Raychaudhuri equation describes how the geometric data of a null hypersurface evolve in null time in response to gravitational radiation and external matter. Our analysis leads to three complementary viewpoints on this equation. First, it can be understood as a Carrollian stress tensor conservation equation. Second, we construct spin-0, spin-2 and matter stress tensors that act as generators of null time reparametrizations for each sector. This leads to the perspective that the null Raychaudhuri equation can be understood as imposing that the sum of CFT-like stress tensors vanishes. Third, we solve the Raychaudhuri constraint non-perturbatively. The solution relates the dressing time to the spin-2 and matter boost charge operators. Finally we establish that the corner charge corresponding to the boost operator in the dressing time frame is monotonic. These results show that the notion of an observer can be thought of as emerging from the gravitational degrees of freedom themselves. We briefly mention that the construction offers new insights into focusing conjectures.

Physics↗
DOE OSTI2026

Measurements of the inclusive W and Z boson production cross sections and their ratios in proton-proton collisions at $\sqrt{s}=13.6$ TeV

Measurements are presented of the W and Z boson production cross sections in proton-proton collisions at a center-of-mass energy of 13.6 TeV. Data collected in 2022 and corresponding to an integrated luminosity of 5.01 fb −1 with one or two identified muons in the final state are analyzed. The results for the products of total inclusive cross sections and branching fractions for muonic decays of W and Z bosons are 11.93 ± 0.08 (syst) ± 0.17 (lumi) $^{+0.07}_{−0.07}$ (acceptance) nb for W + boson production, 8.86 ± 0.06 (syst) ± 0.12 (lumi) $^{+0.05}_{−0.06}$ (acceptance) nb for W − boson production, and 2.021 ± 0.009 (syst) ± 0.028 (lumi) $^{+0.011}_{−0.013}$ (acceptance) nb for the Z boson production in the dimuon mass range of 60–120 GeV, all with negligible statistical uncertainties. Furthermore, the corresponding fiducial cross sections, as well as cross section ratios for both fiducial and total phase space, are provided. The ratios include charge-separated results for W boson production (W + and W − ) and the sum of the two contributions (W ± ), each relative to the measured Z boson production cross section. Additionally, the ratio of the measured cross sections for W + and W − boson production is reported. All measurements are in agreement with theoretical predictions, calculated at next-to-next-to-leading order accuracy in quantum chromodynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Stringy canonical forms

Canonical forms of positive geometries play an important role in revealing hidden structures of scattering amplitudes, from amplituhedra to associahedra. In this paper, we introduce “stringy canonical forms”, which provide a natural definition and extension of canonical forms for general polytopes, deformed by a parameter α'. They are defined by real or complex integrals regulated with polynomials with exponents, and are meromorphic functions of the exponents, sharing various properties of string amplitudes. As α'→ 0, they reduce to the usual canonical form of a polytope given by the Minkowski sum of the Newton polytopes of the regulating polynomials, or equivalently the volume of the dual of this polytope, naturally determined by tropical functions. At finite α', they have simple poles corresponding to the facets of the polytope, with the residue on the pole given by the stringy canonical form of the facet. There is the remarkable connection between the α'→ 0 limit of tree-level string amplitudes, and scattering equations that appear when studying the α'→ ∞ limit. We show that there is a simple conceptual understanding of this phenomenon for any stringy canonical form: the saddle-point equations provide a diffeomorphism from the integration domain to the interior of the polytope, and thus the canonical form can be obtained as a pushforward via summing over saddle points. When the stringy canonical form is applied to the ABHY associahedron in kinematic space, it produces the usual Koba-Nielsen string integral, giving a direct path from particle to string amplitudes without an a priori reference to the string worldsheet. We also discuss a number of other examples, including stringy canonical forms for finite-type cluster algebras (with type A corresponding to usual string amplitudes), and other natural integrals over the positive Grassmannian.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Combined analysis of Belle and Belle II data to determine the CKM angle φ 3 using B + → D($ {K}_S^0 $h + h – )h + decays

We present a measurement of the Cabibbo-Kobayashi-Maskawa unitarity triangle angle φ 3 (also known as γ) using a model-independent Dalitz plot analysis of B + → D($ {K}_S^0 $h + h – )h + , where D is either a D o or D o ¯ meson and h is either a π or K. This is the first measurement that simultaneously uses Belle and Belle II data, combining samples corresponding to integrated luminosities of 711 fb –1 and 128 fb –1 , respectively. All data were accumulated from energy-asymmetric e + e – collisions at a centre-of-mass energy corresponding to the mass of the Υ(4S) resonance. We measure φ 3 = (78.4 ± 11.4 ± 0.5 ± 1.0)°, where the first uncertainty is statistical, the second is the experimental systematic uncertainty and the third is from the uncertainties on external measurements of the D-decay strong-phase parameters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Search for long-lived heavy neutral leptons in proton-proton collision events with a lepton-jet pair associated with a secondary vertex at $\sqrt{s}$ = 13 TeV

A search for long-lived heavy neutral leptons (HNLs) using proton-proton collision data corresponding to an integrated luminosity of 138 fb −1 collected at $\sqrt{s}$ = 13 TeV with the CMS detector at the CERN LHC is presented. Events are selected with a charged lepton originating from the primary vertex associated with the proton-proton interaction, as well as a second charged lepton and a hadronic jet associated with a secondary vertex that corresponds to the semileptonic decay of a long-lived HNL. No excess of events above the standard model expectation is observed. Exclusion limits at 95% confidence level are evaluated for HNLs that mix with electron and/or muon neutrinos. Limits are presented in the mass range of 1–16.5 GeV, with excluded square mixing parameter values reaching as low as 2 × 10 −7 . For masses above 11 GeV, the presented limits exceed all previous results in the semileptonic decay channel, and for some of the considered scenarios are the strongest to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗