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At least 1,477 records · Page 82

Study of the lower stratospheric thermal structure and total ozone from Nimbus-4 IRIS

The global distribution of temperature in the stratosphere from 100 to 10 mbar and the total ozone in the atmosphere are remotely sensed from the Nimbus-4 IRIS measurements for a period of about one year. The temperature and ozone data are presented in the form of monthly mean global maps. The standard deviations of temperature and ozone with respect to zonal averages are calculated. The mean and the variable state of the stratosphere are discussed with the help of these observations. The lower stratosphere in the tropical regions reveals a significant wave number one pattern in the circulation. The Arctic and Antarctic stratospheric winter circulation regimes display a different behavior apparently due to the ocean and orographic differences.

Prabhakara, C.↗

Scanner for measuring fine sea-surface structures

An optical scanner using the principle of light reflection has been designed for determining directional slope distributions of the wind-disturbed water surface. The instrument has been tested successfully in the laboratory and could be used in the field. Some sample results along with procedures for data analysis are also presented.

Wu, J.↗

Understanding nanoscale structural distortions in Pb(Zr 0.2 Ti 0.8 )O 3 by utilizing X-ray nanodiffraction and clustering algorithm analysis

Hard X-ray nanodiffraction provides a unique nondestructive technique to quantify local strain and structural inhomogeneities at nanometer length scales. However, sample mosaicity and phase separation can result in a complex diffraction pattern that can make it challenging to quantify nanoscale structural distortions. In this work, a k-means clustering algorithm was utilized to identify local maxima of intensity by partitioning diffraction data in a three-dimensional feature space of detector coordinates and intensity. This technique has been applied to X-ray nanodiffraction measurements of a patterned ferroelectric PbZr 0.2 Ti 0.8 O 3 sample. The analysis reveals the presence of two phases in the sample with different lattice parameters. A highly heterogeneous distribution of lattice parameters with a variation of 0.02 Å was also observed within one ferroelectric domain. This approach provides a nanoscale survey of subtle structural distortions as well as phase separation in ferroelectric domains in a patterned sample.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Understanding the Origin of the Hadron Mass within the Standard Model

Understanding the origin of the hadron mass, which constitutes 99% of our visible universe, is one of the central goals of nuclear physics. Although the Higgs mechanism provides mass for the fundamental building blocks of matter, it can only contribute less than 2% of the proton mass. The vast majority of the proton mass is believed to come from the strong force that tightly binds quarks and gluons (collectively called partons) together as described by Quantum Chromodynamics (QCD). The mass that emerges as a consequence of the strong interactions within QCD is commonly denoted as Emergent Hadronic Mass (EHM). Understanding how the nucleon mass emerges in QCD is a prerequisite to an explanation of how the Universe came into being, therefore it is of utmost importance and one of the key questions to be addressed by the future Electron-Ion Collider (EIC). When it comes to light mesons, particularly pions, the mass decomposition is drastically different. Since the pion is naturally massless in the chiral limit, the majority of its observed mass needs to come from other mechanisms within QCD. Any successful explanation for the EHM needs to be able to reconcile both the heavy proton mass and the very light pion mass (~15% of proton mass) simultaneously. The EHM theories have direct measurable implications on the description of the internal structure of the hadron, i.e., how the partons distribute inside the hadron. Precise measurement of the parton distribution functions (PDFs) will provide necessary experimental verifications and constraints of potential EHM mechanisms. We propose to carry out a comprehensive study of the poorly known pion PDFs at the AMBER experiment at CERN. The measurement will provide vital input to constrain the global analysis of the pion PDFs, which are still based on limited data obtained more than 30 years ago. The proposed pion measurement is the only direct measurement achievable within this decade, which could lead to a future major meson structure program parallel to the EIC’s proton structure measurement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ALMA BAND 8 CONTINUUM EMISSION FROM ORION SOURCE I

We have measured continuum flux densities of a high-mass protostar candidate, a radio source I in the Orion KL region (Orion Source I) using the Atacama Large Millimeter/Submillimeter Array (ALMA) at band 8 with an angular resolution of 0.″1. The continuum emission at 430, 460, and 490 GHz associated with Source I shows an elongated structure along the northwest–southeast direction perpendicular to the so-called low-velocity bipolar outflow. The deconvolved size of the continuum source, 90 au × 20 au, is consistent with those reported previously at other millimeter/submillimeter wavelengths. The flux density can be well fitted to the optically thick blackbody spectral energy distribution, and the brightness temperature is evaluated to be 700–800 K. It is much lower than that in the case of proton–electron or H{sup −} free–free radiations. Our data are consistent with the latest ALMA results by Plambeck and Wright, in which the continuum emission was proposed to arise from the edge-on circumstellar disk via thermal dust emission, unless the continuum source consists of an unresolved structure with a smaller beam filling factor.

79 ASTRONOMY AND ASTROPHYSICS↗

Star counts and galactic structure

Star counts are discussed as an aid in studies of galactic structure. Iterative computations using a method-of-color-bins to match numerical models with observational data are described. The star counts provide bounds for the luminosity function and the color-magnitude diagram and allow spheroid normalization in a copycat Galaxy model which posits a galaxy with a Population I disk and a Population II spheroid. Good agreement has been obtained between star counts predicted by the model and observed distributions, including color and magnitude ranges and direction. Modifications being considered for the model include consideration of the halo, a galactic bulge and a thick disk. Several galactic structural features which have yet to be modeled and which may be tractable to the copycat model corrected with star counts are identified.

Bahcall, John N.↗

Wind-Tunnel Evaluation of the Effect of Blade Nonstructural Mass Distribution on Helicopter Fixed-System Loads

This report provides data obtained during a wind-tunnel test conducted to investigate parametrically the effect of blade nonstructural mass on helicopter fixed-system vibratory loads. The data were obtained with aeroelastically scaled model rotor blades that allowed for the addition of concentrated nonstructural masses at multiple locations along the blade radius. Testing was conducted for advance ratios ranging from 0.10 to 0.35 for 10 blade-mass configurations. Three thrust levels were obtained at representative full-scale shaft angles for each blade-mass configuration. This report provides the fixed-system forces and moments measured during testing. The comprehensive database obtained is well-suited for use in correlation and development of advanced rotorcraft analyses.

ARES-1(AEROELASTIC ROTOR EXPERIMENTAL SYSTEM 1)↗

Crystallization of polarons through charge and spin ordering transitions in 1T-TaS 2

The interaction of electrons with the lattice in metals can lead to reduction of their kinetic energy to the point where they may form heavy, dressed quasiparticles—polarons. Unfortunately, polaronic lattice distortions are difficult to distinguish from more conventional charge- and spin-ordering phenomena at low temperatures. Here we present a study of local symmetry breaking of the lattice structure on the picosecond timescale in the prototype layered dichalcogenide Mott insulator 1T-TaS 2 using X-ray pair-distribution function measurements. We clearly identify symmetry-breaking polaronic lattice distortions at temperatures well above the ordered phases, and record the evolution of broken symmetry states from 915 K to 15 K. The data imply that charge ordering is driven by polaron crystallization into a Wigner crystal-like state, rather than Fermi surface nesting or conventional electron-phonon coupling. At intermediate temperatures the local lattice distortions are found to be consistent with a quantum spin liquid state.

36 MATERIALS SCIENCE↗

Analysis of Terminal Deletions using a Generalized Time-Dependent Model of Radiation-Induced Formation of Chromosomal Aberrations

We have developed a model that can simulate different types of radiation induced chromosomal aberrations (CA's) and can provide predictions on the frequency and size of chromosomes with terminal deletions. Chromosomes with terminal deletions lack telomeres and this can elicit sister chromatid unions and the prolonged breakage/fusion/bridge (B/F/B) cycles that have been observed in mammalian tumors. The loss of a single telomere has been shown to cause extensive genomic instability through the B/F/B cycle process. Our model uses a stochastic process of DNA broken end joining, in which a realistic spectrum of CA's is created from improperly joined DNA free ends formed by DNA double strand breaks (DSBs). The distribution of the DNA free ends is given by a mechanistic model that takes into account the chromatin structure and track structure for high-LET radiation. The model allows for DSB clustering from high-LET radiation and simulates the formation of CA's in stages that correspond to the actual time after radiation exposure. The time scale for CA formation is derived from experimental data on DSB repair kinetics. At any given time a nucleus may have intact chromosomes, CA's, and/or unrepaired fragments, some of which are defined as terminal deletions, if they are capped by one telomere. The model produces a spectrum of terminal deletions with their corresponding probabilities and size distributions for different heavy ions exposures for the first division after exposure. This data provides valuable information because there is limited experimental data available in the literature on the on the actual size of terminal deletions. We compare our model output to the available experimental data and make a reasonable extrapolation on the number of chromosomes lacking telomeres in human lymphocytes exposed to heavy ions. This model generates data which may lead to predictions on the rate of genomic instability in cells after exposure to high charge and energy nuclei affecting astronauts during space missions.

Ponomarev, Artem L.↗

An Integrated Deposition and Passivation Strategy for Controlled Crystallization of 2D/3D Halide Perovskite Films

Abstract This work introduces a simplified deposition procedure for multidimensional (2D/3D) perovskite thin films, integrating a phenethylammonium chloride (PEACl)‐treatment into the antisolvent step when forming the 3D perovskite. This simultaneous deposition and passivation strategy reduces the number of synthesis steps while simultaneously stabilizing the halide perovskite film and improving the photovoltaic performance of resulting solar cell devices to 20.8%. Using a combination of multimodal in situ and additional ex situ characterizations, it is demonstrated that the introduction of PEACl during the perovskite film formation slows down the crystal growth process, which leads to a larger average grain size and narrower grain size distribution, thus reducing carrier recombination at grain boundaries and improving the device's performance and stability. The data suggests that during annealing of the wet film, the PEACl diffuses to the surface of the film, forming hydrophobic (quasi‐)2D structures that protect the bulk of the perovskite film from humidity‐induced degradation.

2D/3D perovskites↗

Synthesizing realistic sand assemblies with denoising diffusion in latent space

Abstract The shapes and morphological features of grains in sand assemblies have far‐reaching implications in many engineering applications, such as geotechnical engineering, computer animations, petroleum engineering, and concentrated solar power. Yet, our understanding of the influence of grain geometries on macroscopic response is often only qualitative, due to the limited availability of high‐quality 3D grain geometry data. In this paper, we introduce a denoising diffusion algorithm that uses a set of point clouds collected from the surface of individual sand grains to generate grains in the latent space. By employing a point cloud autoencoder, the three‐dimensional point cloud structures of sand grains are first encoded into a lower‐dimensional latent space. A generative denoising diffusion probabilistic model is trained to produce synthetic sand that maximizes the log‐likelihood of the generated samples belonging to the original data distribution measured by a Kullback‐Leibler divergence. Numerical experiments suggest that the proposed method is capable of generating realistic grains with morphology, shapes and sizes consistent with the training data inferred from an F50 sand database. We then use a rigid contact dynamic simulator to pour the synthetic sand in a confined volume to form granular assemblies in a static equilibrium state with targeted distribution properties. To ensure third‐party validation, 50,000 synthetic sand grains and the 1542 real synchrotron microcomputed tomography (SMT) scans of the F50 sand, as well as the granular assemblies composed of synthetic sand grains are made available in an open‐source repository.

Vlassis, Nikolaos N.↗

An optimized ChIP-Seq framework for profiling histone modifications in Chromochloris zofingiensis

The eukaryotic green alga Chromochloris zofingiensis is a reference organism for studying carbon partitioning and a promising candidate for the production of biofuel precursors. Recent transcriptome profiling transformed our understanding of its biology and generally algal biology, but epigenetic regulation remains understudied and represents a fundamental gap in our understanding of algal gene expression. Chromatin immunoprecipitation followed by deep sequencing (ChIP-Seq) is a powerful tool for the discovery of such mechanisms, by identifying genome-wide histone modification patterns and transcription factor-binding sites alike. Here, we established a ChIP-Seq framework for Chr. zofingiensis yielding over 20 million high-quality reads per sample. The most critical steps in a ChIP experiment were optimized, including DNA shearing to obtain an average DNA fragment size of 250 bp and assessment of the recommended formaldehyde concentration for optimal DNA-protein cross-linking. We used this ChIP-Seq framework to generate a genome-wide map of the H3K4me3 distribution pattern and to integrate these data with matching RNA-Seq data. In line with observations from other organisms, H3K4me3 marks predominantly transcription start sites of genes. Our H3K4me3 ChIP-Seq data will pave the way for improved genome structural annotation in the emerging reference alga Chr. zofingiensis.

59 BASIC BIOLOGICAL SCIENCES↗

Tracing the transient reaction kinetics of adsorbed species by in situ/operando infrared spectroscopy

The dynamic reaction behavior (i.e., transient responses) of IR-observable adsorbed species and gaseous products obtained from transient kinetic studies provide valuable kinetic and mechanistic information, namely: the abundance of active intermediates and their reactivity distribution, the chemical structure of IR-observable active and spectator species, the sequence of their formation, and the kinetically significant and rate-determining step under reaction conditions of practical catalysis. We discuss the use of transient response data to elucidate the reaction mechanisms of several gas-solid reactions: CO/H 2 , CO/H 2 /C 2 H 4 , photocatalytic oxidation of ethanol, and the CO 2 -amine reaction. The IR coupled with transient kinetic techniques is especially useful for investigating the mechanisms of photocatalytic reactions because both photogenerated electrons and many adsorbed species are IR-active (exhibiting measurable IR bands), and their evolution occurs on a time scale of seconds at ambient temperature. We highlight the key features and limitations of in situ IR with transient kinetics, as well as their significance in catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of grid resolution, parcel size and drag models on bubbling fluidized bed simulation

Here in this paper, a bubbling fluidized bed is simulated with different numerical parameters, such as grid resolution and parcel size. We examined also the effect of using two homogeneous drag correlations and a heterogeneous drag based on the energy minimization method. A fast and reliable bubble detection algorithm was developed based on the connected component labeling. The radial and axial solids volume fraction profiles are compared with experiment data and previous simulation results. These results show a significant influence of drag models on bubble size and voidage distributions and a much less dependence on numerical parameters. With a heterogeneous drag model that accounts for sub-scale structures, the void fraction in the bubbling fluidized bed can be well captured with coarse grid and large computation parcels. Refining the CFD grid and reducing the parcel size can improve the simulation results but with a large increase in computation cost.

97 MATHEMATICS AND COMPUTING↗

Local Order in Liquid Gallium–Indium Alloys

Liquid metals such as eutectic Ga–In alloys have low melting points and low toxicity and are used in catalysis and micro-robotics. This study investigates the local atomic structure of liquid gallium-indium alloys by a combination of density measurements, diffraction data, and Monte-Carlo simulation via the empirical potential structure refinement approach. A high-Q shoulder observed in liquid Ga is related to structural rearrangements in the second coordination shell. Structure analysis found coordination environments close to a random distribution for eutectic Ga–In alloy, while electronic effects appear to dominate the mixing enthalpy.

36 MATERIALS SCIENCE↗

Atomically Precise Single-Site Catalysts via Exsolution in a Polyoxometalate–Metal–Organic-Framework Architecture

Single-site catalysts (SSCs) achieve a high catalytic performance through atomically dispersed active sites. A challenge facing the development of SSCs is aggregation of active catalytic species. Reducing the loading of these sites to very low levels is a common strategy to mitigate aggregation and sintering; however, this limits the tools that can be used to characterize the SSCs. Here we report a sintering-resistant SSC with high loading that is achieved by incorporating Anderson–Evans polyoxometalate clusters (POMs, MMo 6 O 24 , M = Rh/Pt) within NU-1000, a Zr-based metal–organic framework (MOF). The dual confinement provided by isolating the active site within the POM, then isolating the POMs within the MOF, facilitates the formation of isolated noble metal sites with low coordination numbers via exsolution from the POM during activation. The high loading (up to 3.2 wt %) that can be achieved without sintering allowed the local structure transformation in the POM cluster and the surrounding MOF to be evaluated using in situ X-ray scattering with pair distribution function (PDF) analysis. Notably, the Rh/Pt···Mo distance in the active catalyst is shorter than the M···M bond lengths in the respective bulk metals. Furthermore, models of the active cluster structure were identified based on the PDF data with complementary computation and X-ray absorption spectroscopy analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of short-range order in irradiated dysprosium titanates

Abstract The structural response of Dy 2 TiO 5 oxide under swift heavy ion irradiation (2.2 GeV Au ions) was studied over a range of structural length scales utilizing neutron total scattering experiments. Refinement of diffraction data confirms that the long-range orthorhombic structure is susceptible to ion beam-induced amorphization with limited crystalline fraction remaining after irradiation to 8 × 10 12 ions/cm 2 . In contrast, the local atomic arrangement, examined through pair distribution function analysis, shows only subtle changes after irradiation and is still described best by the original orthorhombic structural model. A comparison to Dy 2 Ti 2 O 7 pyrochlore oxide under the same irradiation conditions reveals a different behavior: while the dysprosium titanate pyrochlore is more radiation resistant over the long-range with smaller degree of amorphization as compared to Dy 2 TiO 5 , the former involves more local atomic rearrangements, best described by a pyrochlore-to-weberite-type transformation. These results highlight the importance of short-range and medium-range order analysis for a comprehensive description of radiation behavior.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Powder diffraction

Powder diffraction is a non-destructive technique, which is experimentally simple in principle. Because the physics behind diffraction is well understood, an exceptionally large amount of information can be obtained from a single measurement. The positions and relative intensities of the peaks yield a fingerprint that can be used for qualitative phase analysis. Quantitative phase analysis can be obtained by detailed analysis of the intensities. Unit cells can be derived from the peak positions. Crystal structures can be solved using powder diffraction data and refined by the Rietveld method. The peak profiles contain information about crystallite size, strain and nanostructure. Non-idealities in the intensities give information on texture. Abandoning the crystallographic model provides information about local structure, by pair distribution function analysis. For powder diffraction, everything is a sample; the technique is commonly applied to characterize minerals, ceramics, metals and alloys, catalysts, polymers, pharmaceuticals, organic compounds, environmental and forensic samples, among others. The major features of contemporary laboratory powder diffractometers are described. Methods for obtaining suitable powder specimens are summarized. Major applications of qualitative and quantitative phase analysis, structure solution, size/strain/nanostructure analysis using peak profiles, texture analysis and pair distribution function analysis are introduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗