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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

Cosmic stability of dark matter from Pauli blocking

Why does dark matter (DM) live longer than the age of the Universe? Here we study a novel sub-eV scalar DM candidate whose stability is due to the Pauli exclusion of its fermionic decay products. We analyze the stability of the DM condensate against decays, scatterings (i.e., evaporation), and parametric resonance, delineating the viable parameter regions in which DM is cosmologically stable. In a minimal scenario in which the scalar DM decays to a pair of new exotic fermions, we find that scattering can populate an interacting thermal dark sector component to energies far above the DM mass. This self-interacting dark radiation may potentially alleviate the Hubble tensions. Furthermore, our scenario can be probed through precise measurements of the halo-mass function or the masses of dwarf spheroidal galaxies since scattering prevents the DM from becoming too dense. On the other hand, if the lightest neutrino stabilizes the DM, the cosmic neutrino background ( C ν B ) can be significantly altered from the Lambda cold dark matter prediction and thus be probed in the future by C ν B detection experiments. Published by the American Physical Society 2024

Batell, Brian↗

Molecular Mechanism of Polysaccharide Acetylation by the Arabidopsis Xylan O-acetyltransferase XOAT1

Xylans are a major component of plant cell walls. O-Acetyl moieties are the dominant backbone substituents of glucuronoxylan in dicots and play a major role in the polymer-polymer interactions that are crucial for wall architecture and normal plant development. Here, we describe the biochemical, structural, and mechanistic characterization of Arabidopsis (Arabidopsis thaliana) xylan O-acetyltransferase 1 (XOAT1), a member of the plant-specific Trichome Birefringence Like (TBL) family. Detailed characterization of XOAT1-catalyzed reactions by real-time NMR confirms that it exclusively catalyzes the 2-O-acetylation of xylan, followed by nonenzymatic acetyl migration to the O-3 position, resulting in products that are monoacetylated at both O-2 and O-3 positions. In addition, we report the crystal structure of the catalytic domain of XOAT1, which adopts a unique conformation that bears some similarities to the a/ß/a topology of members of the GDSL-like lipase/acylhydrolase family. Finally, we use a combination of biochemical analyses, mutagenesis, and molecular simulations to show that XOAT1 catalyzes xylan acetylation through formation of an acyl-enzyme intermediate, Ac–Ser-216, by a double displacement bi-bi mechanism involving a Ser-His-Asp catalytic triad and unconventionally uses an Arg residue in the formation of an oxyanion hole.

acetylation↗

Neighboring Pd single atoms surpass isolated single atoms for selective hydrodehalogenation catalysis

Single atom catalysts have been found to exhibit superior selectivity over nanoparticulate catalysts for catalytic reactions such as hydrogenation due to their single-site nature. However, improved selectively is often accompanied by loss of activity and slow kinetics. Here we demonstrate that neighboring Pd single atom catalysts retain the high selectivity merit of sparsely isolated single atom catalysts, while the cooperative interactions between neighboring atoms greatly enhance the activity for hydrogenation of carbon-halogen bonds. Experimental results and computational calculations suggest that neighboring Pd atoms work in synergy to lower the energy of key meta-stable reactions steps, i.e., initial water desorption and final hydrogenated product desorption. The placement of neighboring Pd atoms also contribute to nearly exclusive hydrogenation of carbon-chlorine bond without altering any other bonds in organohalogens. The promising hydrogenation performance achieved by neighboring single atoms sheds light on a new approach for manipulating the activity and selectivity of single atom catalysts that are increasingly studied in multiple applications.

36 MATERIALS SCIENCE↗

Cross Section Evaluation for Exclusive Channels of K+Λ and K+Σ0 Electroproduction off Protons Using CLAS Detector Data

In this work, a method for evaluating the cross sections of electroproduction of K+Λ0 and K+Σ0 off protons in the region of invariant masses of final hadrons MK + MY <W < 2.65 GeV (MK and MY being the masses of the kaon and hyperon, respectively) and squares of four-momentum transfers of virtual photons, i.e., photon virtualities 0 < Q2 < 5 GeV2, is developed based on experimental data of these exclusive channels’ cross sections measured by the CLAS detector in Hall B at Jefferson Lab. A set of algorithms has been implemented to evaluate the differential cross sections of these channels, along with their statistical and systematic uncertainties. A program was developed for the evaluation of differential cross sections and structure functions using C++ and Python libraries. An interactive website was created for working with the program, enabling the analysis of one-dimensional and two-dimensional dependences of structure functions and differential cross sections. The evaluation of differential cross sections for the K+Λ and K+Σ0 electroproduction channels is necessary for extracting the structure function σLT from the data on the polarization asymmetry of electroproduction reactions of these final states with longitudinally polarized electrons. The obtained results are also important for the development of realistic Monte Carlo event generators in planning future experiments and for evaluating the efficiency of detecting final particles when extracting reaction cross sections from experimental data.

Golda, A. V.↗

Exclusive production of a pair of high transverse momentum photons in pion-nucleon collisions for extracting generalized parton distributions

We show that exclusive production of a pair of high transverse momentum photons in pion-nucleon collisions can be systematically studied in QCD factorization approach if the photon’s transverse momentum q T with respect to the colliding pion is much greater than Λ QCD . We demonstrate that the leading power non-perturbative contributions to the scattering amplitudes of this exclusive process are process-independent and can be systematically factorized into universal pion’s distribution amplitudes (DAs) and nucleon’s generalized parton distributions (GPDs), which are convoluted with corresponding infrared safe and perturbatively calculable short-distance hard parts. The correction to this factorized expression is suppressed by powers of 1/q T . We demonstrate quantitatively that this new type of exclusive processes is not only complementary to existing processes for extracting GPDs, but also capable of providing an enhanced sensitivity to the dependence of both DAs and GPDs on the active parton’s momentum fraction x. We also introduce additional, but the same type of exclusive observables to enhance our capability to explore GPDs, in particular, their x-dependence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Manifesting Direction-Specific Complexation in [HFIP –H ·H 2 O 2 ] – : Exclusive Formation of a High-Lying Conformation

Size-selective, negative ion photoelectron spectroscopy in conjunction with quantum chemical calculations is employed to investigate the geometric and electronic structures of a protype system in catalytic olefin epoxidation research, i.e., deprotonated hexafluoroisopropanol ([HFIP -H ] - ) complexed with hydrogen peroxide (H 2 O 2 ). Spectral assignments and molecular electrostatic surface analyses unveil a surprising prevalent existence of a high-lying isomer with asymmetric dual hydrogenbonding configuration that is preferably formed driven by influential directionspecific electrostatic interactions upon H 2 O 2 approaching [HFIP -H ] - anion. Subsequent inspections of molecular orbitals, charge and spin density distributions indicate the occurrence of partial charge transfer from [HFIP -H ] - to H 2 O 2 upon hydrogen bonding interactions. Accompanying with electron detachment, a proton transfer occurs to form the neutral complex of [HFIP•HOO • ] structure. In conclusion, this work conspicuously illustrates the importance of directionality encoded in intermolecular interactions involving asymmetric and complex molecules, while the produced hydroperoxyl radical HOO • offers a possible new pathway in olefin epoxidation chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Observations of Ozone-aerosol Correlated Behaviour in the Lower Stratosphere During the EASOE Campaign

The question of possible interactions between ozone and stratospheric aerosol has been open for a long time. Measurements carried out after the Mt. Agung and El Chicon eruptions showed evidence of negative correlations between the presence of volcanic stratospheric aerosols and ozone concentration. Evidence for negative correlations in the polar winter has been also found. It is only after the discovery of the Antarctic ozone hole that catalytic effects related to low temperature heterogeneous chemistry have become the object of much investigation, now extended to the role of volcanic aerosol in the ozone reduction. These phenomena can be the object of various interpretations, not mutually exclusive, including the effect of transport, diffuse radiation as well as heterogeneous chemistry. The present paper provides preliminary results of simultaneous measurements of ozone and aerosol, carried out at Thule, Greenland, during the winter 1991-92. The European Stratospheric Ozone Experiment (EASOE) was aimed at monitoring the winter Arctic stratosphere in order to obtain a deeper insight of the ozone destruction processes taking place in the polar regions. A large amount of aerosol was injected into the lower stratosphere by the recent eruption of Volcano Pinatubo. A lidar system, already operational in Thule since November 1990, has provided detailed measurements of the stratospheric aerosol concentration during EASOE. In the same period, a large number of ozonesondes were launched. Although no PSC formation was detected over Thule, the simultaneous measurement of the stratospheric aerosol and ozone profiles give the possibility to study interactions occurring in the stratosphere between these two constituents.

Digirolamo, P.↗

The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments

A combined analysis of both new (energy spectra of emitted electrons) and previously published (ionization cross sections) experimental data, measured under the same conditions and concerning electronically excited lighter noble gas –NH{sub 3} collisional autoionization processes, is carried out. Such an analysis, performed by exploiting a formulation of the full potential energy surface both in the real and imaginary parts, provides direct information on energetics, structure, and lifetime of the intermediate collision complex over all the configuration space. The marked anisotropy in the attraction of the real part, driving the approach of reagents, and the selective role of the imaginary component, associated to the charge transfer coupling between entrance and exit channels, suggests that reactive events occur almost exclusively in the molecular hemisphere containing the nitrogen lone pair. Crucial details on the stereo-dynamics of elementary collisional autoionization processes are then obtained, in which the open shell nature of the disclosed ionic core of metastable atom plays a crucial role. The same analysis also suggests that the strength of the attraction and the anisotropy of the interaction increases regularly along the series Ne{sup *}({sup 3}P), He{sup *}({sup 3}S), He{sup *}({sup 1}S)–NH{sub 3}. These findings can be ascribed to the strong rise of the metastable atom electronic polarizability (deformability) along the series. The obtained results can stimulate state of the art ab initio calculations focused on specific features of the transition state (energetics, structure, lifetime, etc.) which can be crucial for a further improvement of the adopted treatment and to better understand the nature of the leading interaction components which are the same responsible for the formation of the intermolecular halogen and hydrogen bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Genetically-determined variations in photosynthesis indicate roles for specific fatty acid species in chilling responses

Using a population of recombinant inbred lines (RILs) cowpea (Vigna unguiculata. L. Walp), we tested for co-linkages between lipid contents and chilling responses of photosynthesis. Under low-temperature conditions (19°C/13°C, day/night), we observed co-linkages between quantitative trait loci intervals for photosynthetic light reactions and specific fatty acids, most strikingly, the thylakoid-specific fatty acid 16:1 Δ3trans found exclusively in phosphatidylglycerol (PG 16:1t). By contrast, we did not observe co-associations with bulk polyunsaturated fatty acids or high-melting-point-PG (sum of PG 16:0, PG 18:0 and PG 16:1t) previously thought to be involved in chilling sensitivity. These results suggest that in cowpea, chilling sensitivity is modulated by specific lipid interactions rather than bulk properties. We were able to recapitulate the predicted impact of PG 16:1t levels on photosynthetic responses at low temperature using mutants and transgenic Arabidopsis lines. Because PG 16:1t synthesis requires the activity of peroxiredoxin-Q, which is activated by H 2 O 2 and known to be involved in redox signalling, here we hypothesise that the accumulation of PG 16:1t occurs as a result of upstream effects on photosynthesis that alter redox status and production of reactive oxygen species.

59 BASIC BIOLOGICAL SCIENCES↗

A test of a vortex method for the computation of flap side edge noise

Upon approach to landing, a major source location of airframe noise occurs at the side edges of the part span, trailing edge flaps. In the vicinity of these flaps, a complex arrangement of spanwise flow with primary and secondary tip vortices may form. Each of these vortices is observed to become fully three-dimensional. In the present study, a numerical model is developed to investigate the noise radiated from the side edge of a flap. The inherent three-dimensionality of this flow forces us to carefully consider a numerical scheme which will be both accurate in its prediction of the flow acoustics and also computationally efficient. Vortex methods have offered a fast and efficient means of simulating many two and three-dimensional, vortex dominated flows. In vortex methods, the time development of the flow is tracked by following exclusively the vorticity containing regions. Through the Biot-Savart law, knowledge of the vorticity field enables one to obtain flow quantities at any desired location during the flow evolution. In the present study, a numerical procedure has been developed which incorporates the Lagrangian approach of vortex methods into a calculation for the noise radiated by a flow-surface interaction. In particular, the noise generated by a vortex in the presence of a flat half plane is considered. This problem serves as a basic model of flap edge flow. It also permits the direct comparison between our computed results and previous acoustic analyses performed for this problem. In our numerical simulations, the mean flow is represented by the complex potential W(z) = Aiz(exp l/2), which is obtained through conformal mapping techniques. The magnitude of the mean flow is controlled by the parameter A. This mean flow has been used in the acoustic analysis by Hardin and is considered a reasonable model of the flow field in the vicinity of the edge and away from the leading and trailing edges of the flap. To represent the primary vortex which occurs near the flap, a point vortex is introduced just below the flat half plane. Using a technique from panel methods, boundary conditions on the flap surface are satisfied by the introduction of a row of stationary point vortices along the extent of the flap. At each time step in the calculation, the strength of these vortices is chosen to eliminate the normal velocity at intermediary collocation points. The time development of the overall flow field is then tracked using standard techniques from vortex methods. Vortex trajectories obtained through this computation are in good agreement with those predicted by the analytical solution given by Hardin, thus verifying the viability of this procedure for more complex flow arrangements. For the flow acoustics, the Ffowcs Williams-Hawkings equation is numerically integrated. This equation supplies the far field acoustic pressure based upon pressures occurring along the flap surface. With our vortex method solution, surface pressures may be obtained with exceptional resolution. The Ffowcs Williams-Hawkings equation is integrated using a spatially fourth order accurate Simpson's rule. Rational function interpolation is used to obtain the surface pressures at the appropriate retarded times. Comparisons between our numerical results for the acoustic pressure and those predicted by the Hardin analysis have been made. Preliminary results indicate the need for an improved integration technique. In the future, the numerical procedure developed in this study will be applied to the case of a rectangular flap of finite thickness and ultimately modified for application to the fully three-dimensional problem.

Martin, James E.↗

Optomechanical interaction in fibre lasers with micro-optomechanical resonance structures

We report the results of studies of fibre lasers with passive modulators based on light-excited micro-optomechanical resonance structures (micro-oscillators). It is shown that in fibre lasers based on active fibres doped with rare-earth elements (Er, Er/Yb, Yb, Nd), the optomechanical interaction of laser radiation with micro-oscillators of various types (fibre-optic, microvolume) leads to self-oscillations of the characteristics of laser radiation at frequencies of relaxation oscillations and intermode beats synchronised with the frequencies of elastic eigenoscillations of micro-oscillators. It is found that in an ultra-long erbium – ytterbium fibre laser with a nonlinear mirror based on a microcantilever, laser photothermal excitation of the second mode of elastic transverse oscillations of the microcantilever makes it possible to perform passive mode locking exclusively due to Q-switching of the laser cavity. Pulsed lasing with a controlled repetition rate (∼76 kHz), a pulse duration of 2 – 5 μs and an output energy of 0.1 μJ per pulse is implemented. Based on a simplified physical model of the indicated fibre lasers with micro-oscillators, we have developed an approximate mathematical model describing the regimes of passive mode locking of fibre lasers with micro-oscillators that play the role of mirrors with a nonlinear reflection coefficient in the laser cavity. The prospects for the development and application of the considered laser systems are discussed. (control of laser radiation parameters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Parity partners in the baryon resonance spectrum

Here, we describe a calculation of the spectrum of flavor-SU(3) octet and decuplet baryons, their parity partners, and the radial excitations of these systems, made using a symmetry-preserving treatment of a vector x vector contact interaction as the foundation for the relevant few-body equations. Dynamical chiral symmetry breaking generates nonpointlike diquarks within these baryons and hence, using the contact interaction, flavor-antitriplet scalar, pseudoscalar, vector, and flavor-sextet axial-vector quark-quark correlations can all play active roles. The model yields reasonable masses for all systems studied and Faddeev amplitudes for ground states and associated parity partners that sketch a realistic picture of their internal structure: ground-state, even-parity baryons are constituted, almost exclusively, from like-parity diquark correlations, but orbital angular momentum plays an important role in the rest-frame wave functions of odd-parity baryons, whose Faddeev amplitudes are dominated by odd-parity diquarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Global fit of electron and neutrino elastic scattering data to determine the strange quark contribution to the vector and axial form factors of the nucleon

We present a global fit of neutral-current elastic (NCE) neutrino-scattering data and parity-violating electron-scattering (PVES) data with the goal of determining the strange quark contribution to the vector and axial form factors of the proton. Previous fits of this form included data from a variety of PVES experiments (PVA4, HAPPEx, G0, SAMPLE) and the NCE neutrino and anti-neutrino data from BNL E734. These fits did not constrain the strangeness contribution to the axial form factor G A s ( Q 2 ) at low Q 2 very well because there was no NCE data for Q 2 < 0.45 GeV 2 . Our new fit includes for the first time MiniBooNE NCE data from both neutrino and antineutrino scattering; this experiment used a hydrocarbon target and so a model of the neutrino interaction with the carbon nucleus was required. Three different nuclear models have been employed: a relativistic Fermi gas model, the superscaling approximation model, and a spectral function model. We find a tremendous improvement in the constraint of G A s ( Q 2 ) at low Q 2 compared to previous work, although more data is needed from NCE measurements that focus on exclusive single-proton final states, for example from MicroBooNE. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Crystal structure of Methanococcus jannaschii dihydroorotase with substrate bound

Here, we report the X-ray structural analysis of dihydroorotase from Methanococcus jannaschii co-crystallized with dihydroorotate at pH 6.5. The crystals are isomorphous with the crystals of the apoenzyme, with space group P3 2 21 and unit-cell dimensions a = b = 111.4, c = 101.2 Å. The structure was refined to R = 0.169 and R free = 0.186 at a resolution of 1.87 Å at room temperature. During crystallization the degradative reaction took place, and the electron density in the active site corresponds to the substrate carbamoyl aspartate. Carbamoyl aspartate interacts with the protein in the active site in a manner similar to that observed for Escherichia coli and human dihydroorotases. However, the flexible loop (residues 140–151) adopts both conformations in the crystal, loop-out and loop-in, with the loop-out conformation having higher occupancy. This contrasts with our expectations for the flexible loop to be exclusively in the loop-in conformation, which is the conformation that it adopts to stabilize the binding of the substrate in the known systems. Additional studies with substrate analogs that resemble carbamoyl aspartate and different crystallization conditions would provide further insight into the conformation of the flexible loop in this system.

Methanococcus jannaschii↗

Chromatin structures from integrated AI and polymer physics model

The physical organization of the genome in three-dimensional space regulates many biological processes, including gene expression and cell differentiation. Three-dimensional characterization of genome structure is critical to understanding these biological processes. Direct experimental measurements of genome structure are challenging; computational models of chromatin structure are therefore necessary. We develop an approach that combines a particle-based chromatin polymer model, molecular simulation, and machine learning to efficiently and accurately estimate chromatin structure fromindirectmeasures of genome structure. More specifically, we introduce a new approach where the interaction parameters of the polymer model are extracted from experimental Hi-C data using a graph neural network (GNN). We train the GNN on simulated data from the underlying polymer model, avoiding the need for large quantities of experimental data. The resulting approach accurately estimates chromatin structures across all chromosomes and across several experimental cell lines despite being trained almost exclusively on simulated data. The proposed approach can be viewed as a general framework for combining physical modeling with machine learning, and it could be extended to integrate additional biological data modalities. Ultimately, we achieve accurate and high-throughput estimations of chromatin structure from Hi-C data, which will be necessary as experimental methodologies, such as single-cell Hi-C, improve.

Biochemistry & Molecular Biology↗

Physics Goals of DWA Experiments at FACET-II

The dielectric wakefield acceleration (DWA) program at FACET produced a multitude of new physics results that range from GeV/m acceleration to the discovery of high field-induced conductivity in THz waves, and beyond, to a demonstration of positron-driven wakes. Here we review the rich program now developing in the DWA experiments at FACET-II. With increases in beam quality, a key feature of this program is extended interaction lengths, near 0.5 m, permitting GeV-class acceleration. Detailed physics studies in this context include beam breakup and its control through the exploitation of DWA structure symmetry. The next step in understanding DWA limits requires the exploration of new materials with low loss tangent, large bandgap, and improved thermal characteristics. Advanced structures with photonic features for mode confinement and exclusion of the field from the dielectric, as well as quasi-optical handling of coherent Cerenkov signals is discussed. Use of DWA for laser-based injection and advanced temporal diagnostics is examined.

43 PARTICLE ACCELERATORS↗

Nuclear Trade Atlas 2016-2020

Building on prior work developing a Strategic Trade Atlas promoting understanding of global trade flows of strategic goods, a Nuclear Trade Atlas was developed based on publicly available trade data. The Nuclear Trade Atlas examines trade patterns and trends for seventeen commodities based on a two-step assessment of the trade’s nuclear relevance: first estimating the probability that trade classified under a given Harmonized System (HS) code represents a specific commodity included in the export control lists of the Nuclear Suppliers Group, and second estimating the probability that the listed, often dual-use, commodity would be indicative of nuclear use. These estimates combine to provide a measure of the likelihood trade classified under a given HS code may be nuclear relevant. By exclusively focusing on the HS codes most highly ranked by this measure, the resulting data visualizations comprising the Nuclear Trade Atlas provide those responsible for regulating or monitoring nuclear trade greater understanding of relevant global trading patterns and trends. The Atlas includes both commodity- and country-based views of nuclear trade. It is published as a book and as an interactive tool. Besides trade data, the interactive Atlas also includes data about countries’ non-proliferation commitments, allowing users to take this information into consideration while analyzing specific trade flows.

strategic trade, world customs organization, trade↗

First search for an anomalous excess of charged-current $\nu_e$ interactions without visible pions using the full MicroBooNE dataset

This public note presents an investigation of low-energy electron-neutrino events in the Fermilab Booster Neutrino Beam by the MicroBooNE experiment. This search is motivated by the excess of low energy electromagnetic events observed by the MiniBooNE experiment and, more broadly, by the landscape of neutrino anomalies observed at short baselines. This is the first measurement to use all of the data collected by the MicroBooNE experiment, corresponding to $1.1\times 10^{21}$ protons on target. Two exclusive samples of electron neutrinos without visible pions are used, one with visible protons and one without any visible protons. MicroBooNE data is compared to two empirical models of the MiniBooNE low energy excess, one obtained by enhancing the electron-neutrino content as a function of the neutrino energy, and one representing the excess for the first time as a function of the kinematics of shower energy and angle. This measurement excludes an electron-like interpretation of the MiniBooNE excess based on these models at $\geq 99\%$ confidence level in all kinematic variables.

43 PARTICLE ACCELERATORS↗