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At least 127 records · Page 7

X‑ray Coherent Diffractive Imaging of Large Helium Nanodroplets Doped with Small Molecules

We report the first X-ray coherent diffractive imaging experiment on molecule-doped helium nanodroplets. It complements previous work, where we reported single-shot X-ray coherent diffractive imaging studies of Xe dopant clusters formed in 4He and 3He droplets. These noble gas clusters were used to visualize the impact of rotational excitation of the droplets on the spatial distribution of atomic dopants within the droplets, and to study the differences and connections between quantum and classical droplet rotational motion. Here, we expand our studies to the molecular dopants CF4, CHF3, CH3CN, and SF6, imaged with 1.5 keV photons. We find multiple Bragg spots in the diffraction patterns of molecule-doped droplets with radii of approximately 600 nm, which provide evidence that molecules form elongated clusters with preferential alignment along the angular momentum axis of the 4He droplets, in agreement with our previous results on the aggregation of Xe clusters on quantum vortices. Real-space reconstructions of molecular dopant cluster density profiles are obtained for droplets with smaller radii of approximately 300 nm. The diffuse images suggest the formation of low-density, potentially porous, molecular clusters upon aggregation at T = 0.4 K in 4He droplets. In the normal fluid 3He droplets, molecules aggregate into loose clusters on the droplets' equator, similar to previous observations for Xe atoms. Time-of-flight mass spectra reveal that the doped helium nanodroplet moieties fragment extensively into constituent atomic ions, producing only a small fraction of molecular fragment ions. The findings are discussed in the context of previously proposed schemes to use He droplets as potential tamper materials for ultrafast X-ray imaging experiments.

Feinberg, AlexandraJ

X-ray observations of clusters - Physical implications

The X-ray properties of clusters of galaxies and elliptical galaxies are reviewed, with an emphasis on cooling flows and their effects on the structure and energetics of radio sources. It is found that the radial profiles of the hot (10 to the 8th K) diffuse (n = about 0.001/cu cm) gas in clusters do not require heating of the intracluster medium after the formation of the cluster. Consideration is given to theoretical formulas for cooling rates, the possible reasons for the observed correlation between cooling flows and the presence of a dominant central galaxy, cooling-flow models of elliptical galaxies, and the significant shear in the velocity field of a cooling flow.

Sarazin, Craig L.

Quantification of the Crack Evolution Process by Extracting Relevant Signal Components from Wave Propagation and Diffusive Transport Front Measurements

Wave propagation and diffusive transport phenomena in a geological rock sample undergoing crack evolution process are expected to interact with the mechanical discontinuities in the medium. The measurements of the signals associated with these phenomena can be used to assess and monitor the crack-driven micromechanical alterations in the rock. Different wave/diffusion phenomena, such as sonic propagation, pressure diffusion, and acoustic emission (AE), are sensitive to different elements of the mechanical discontinuities generated during the evolution of the crack clusters from initiation to coalescence. Sonic propagation, AE, and pressure diffusion monitoring have the potential to map the crack evolution because the transmitter-receiver arrays can be designed, arranged and tuned to (1) achieve maximum recovery of the scattered waveforms and travel times, (2) capture the later arrivals and multiple reflections, and (3) illuminate large rock volume. However, the structural/topological complexities of the mechanical discontinuities, complex distribution of the stress fields, complex mechanical alterations in media, and fluid redistribution in the crack system pose serious challenges for the detection and modeling of the crack evolution process (from here on, we will use the term ‘crack evolution process’ to mean that the crack evolution occurred under shallow crustal conditions). For purposes of accurately accounting such complexities and heterogeneities in the absence of reliable physical laws, simulation methods, and signal processing techniques, my early-career research proposal will develop and apply novel data-driven machine learning methods to: (1) extract signal components relevant to the various phases of crack evolution and (2) generate a 2D visual map of the crack evolution process.

58 GEOSCIENCES

Transport Mechanisms of Hydrogen Gas and Ions in Poly(potassium acrylate) Electrolytes

Poly(potassium acrylate) (PAAK) in high concentration KOH solutions is a promising electrolyte for use in alkaline zinc batteries. Atomistic molecular dynamics simulations are used to investigate the transport mechanisms of hydrogen gas and zincate ions through both KOH solutions and PAAK solutions with comparable concentrations of KOH. Hydrogen molecules do not interact with the ions or the polymer, and simply diffuse through the system. Furthermore, their diffusion constant decreases with both increasing KOH concentration and when in the polymer, due to the increased viscosity of the solution. By contrast, zincate ions form long-lived clusters with the PAAK chains which significantly slow their diffusion.

Batteries

Spin Decoherence Dynamics of Er 3+ in CeO 2 Films

Developing telecom-compatible spin-photon interfaces is essential towards scalable quantum networks. Erbium ions (Er 3+ ) exhibit a unique combination of a telecom (1.5 mu m) optical transition and an effective spin-1=2 ground state, but identifying a host that enables heterogeneous device integration while preserving long optical and spin coherence remains an open challenge. In this work, we explore the potential of Er 3+ :CeO 2 films on silicon and study the Er 3+ spin coherence, offering low nuclear spin density and the potential for on-chip integration. We demonstrate a 38.8 mu s spin coherence, which can be extended to 176.4 mu s with dynamical decoupling. Pairing experiments with cluster correlation expansion calculations, we identify spectral diffusion induced by bath Er 3+ spin flip-flops as the dominant decoherence mechanism and provide pathways to millisecond-scale coherence.

36 MATERIALS SCIENCE

Observations of rich clusters of galaxies at metre wavelengths

Observations have been made at 10 frequencies between 50 and 120 MHz of 17 rich, X-ray emitting clusters of galaxies with the 78 x 156 m dipole array al Llanherne. The observed flux densities were compared to the flux densities expected on the basis of the known discrete sources in the fields. In no case was a significant flux excess found that might have indicated the presence of a diffuse halo component of radio emission in the cluster. For those clusters in which spectral indices could be determined, the spectra all tend to be much steeper than is normal for extragalactic radio sources, although a strict correlation between the X-ray luminosity and the low-frequency radio luminosity or spectral index is not found. The occurrence of large halo sources such as that which is present in the Coma cluster seems to be quite unusual.

Cane, H. V.

Xenia: A Probe of Cosmic Chemical Evolution

Xenia is a concept study for a medium-size astrophysical cosmology mission addressing the Cosmic Origins key objective of NASA's Science Plan. The fundamental goal of this objective is to understand the formation and evolution of structures on various scales from the early Universe to the present time (stars, galaxies and the cosmic web). Xenia will use X-and y-ray monitoring and wide field X-ray imaging and high-resolution spectroscopy to collect essential information from three major tracers of these cosmic structures: the Warm Hot Intergalactic Medium (WHIM), Galaxy Clusters and Gamma Ray Bursts (GRBs). Our goal is to trace the chemo-dynamical history of the ubiquitous warm hot diffuse baryon component in the Universe residing in cosmic filaments and clusters of galaxies up to its formation epoch (at z =0-2) and to map star formation and galaxy metal enrichment into the re-ionization era beyond z ~ 6. The concept of Xenia (Greek for "hospitality") evolved in parallel with the Explorer of Diffuse Emission and GRB Explosions (EDGE), a mission proposed by a multinational collaboration to the ESA Cosmic Vision 2015. Xenia incorporates the European and Japanese collaborators into a U.S. led mission that builds on the scientific objectives and technological readiness of EDGE.

Kouveliotou, Chryssa

GSFC Contributions to the NATO X-ray Astronomy Institute, Erice, July 1979

An overview of X-ray astronomical spectroscopy in general is presented and results obtained by HEAO 1 and 2 as well as earlier spacecraft are examined. Particular emphasis is given to the spectra of supernova remnants; galactic binary X-ray sources, cataclysmic variables, bulges, pulsars, and stars; the active nuclei of Seyfert 1 galaxy, BL Lac, and quasars; the diffuse X-ray background; and galactic clusters.

Holt, S. S.

A survey of rich clusters of galaxies with HEAO 1. II

Results are presented of an X-ray survey of approximately 1900 Abell clusters of galaxies performed with the NRL large-area X-ray detectors on HEAO 1. The cluster luminosity function derived from the observations made at ecliptic longitudes between 80 and 180 deg and 260 and 360 deg is fit with both power law and exponential relations, and used to estimate a total contribution of Abell clusters to the volume emissivity of the diffuse X-ray background of between 3 and 10%. No strong correlation is found between X-ray luminosity and Bautz-Morgan class, richness class or 26-MHz radio power, although B-M type I and Abell richness class 3 appear more likely to be strong X-ray sources. A correlation is suggested between optical radius and X-ray luminosity.

Ulmer, M. P.

Cloud classification from satellite data using a fuzzy sets algorithm: A polar example

Where spatial boundaries between phenomena are diffuse, classification methods which construct mutually exclusive clusters seem inappropriate. The Fuzzy c-means (FCM) algorithm assigns each observation to all clusters, with membership values as a function of distance to the cluster center. The FCM algorithm is applied to AVHRR data for the purpose of classifying polar clouds and surfaces. Careful analysis of the fuzzy sets can provide information on which spectral channels are best suited to the classification of particular features, and can help determine likely areas of misclassification. General agreement in the resulting classes and cloud fraction was found between the FCM algorithm, a manual classification, and an unsupervised maximum likelihood classifier.

Key, J. R.

Cloud classification from satellite data using a fuzzy sets algorithm - A polar example

Where spatial boundaries between phenomena are diffuse, classification methods which construct mutually exclusive clusters seem inappropriate. The Fuzzy c-means (FCM) algorithm assigns each observation to all clusters, with membership values as a function of distance to the cluster center. The FCM algorithm is applied to AVHRR data for the purpose of classifying polar clouds and surfaces. Careful analysis of the fuzzy sets can provide information on which spectral channels are best suited to the classification of particular features, and can help determine like areas of misclassification. General agreement in the resulting classes and cloud fraction was found between the FCM algorithm, a manual classification, and an unsupervised maximum likelihood classifier.

Key, J. R.

Dynamics of iodine geminate recombination in supercritical xenon solvent: Caging effect

Understanding the dynamics of chemical reactions in solutions is vital, as their rates and kinetics are significantly affected by the solvent environment. Supercritical solvents offer extensive applications in chemical reactions by enabling the manipulation of the solution environment. Here, in this study, we investigate the geminate recombination of iodine in a supercritical xenon solvent by using ReaxFF-based molecular dynamics simulations. Our findings reveal that the highest iodine recombination rate occurs near supercritical conditions, while lower-pressure conditions lead to reduced collision rates and unstable recombination, and higher-pressure conditions hinder iodine diffusion, resulting in a lower recombination rate. Our analysis shows that the xenon local density at the time of recombination is at least 2.5 times higher than the global density, confirming the presence of xenon clusters surrounding the Iodine atoms. This observation is further supported by coordination number analysis, which confirms an elevated xenon local density during recombination. In addition, the correlation between the total energy of xenon atoms within a cluster and recombined iodine atoms underscores the kinetic energy transfer process, validating the occurrence of geminate recombination. The excess kinetic energy from the recombining iodine atoms is transferred to the surrounding xenon atoms. Our examination of geminate recombination demonstrates that iodine atoms confined within xenon clusters—whether through manual insertion of atoms or the fast dissociation of an iodine molecule within xenon clusters—are more likely to recombine as primary geminate recombination. However, extending the iodine molecule dissociation time allows iodine atoms to diffuse out of the cluster, and the recombination to shift toward secondary geminate recombination.

Cage effect

The settling of helium and the ages of globular clusters

Model low-mass globular-cluster stars were evolved with their helium allowed to diffuse under the influence of gravity, thermal diffusion, and concentration gradient. The evolution tended to speed up. Also, the turnoff point moved toward lower luminosity and slightly lower surface temperature. If the luminosity at turnoff is used as the sole criterion for determining the age of a globular cluster, the inferred ages of such clusters are reduced by about 22% from starting values in the vicinity of 15 billion years.

Noerdlinger, P. D.

Cluster Dynamics Simulations of Intra-Granular Fission Gas Bubble Size and Pressure Evolution in UO 2

Fission gases such as xenon (Xe) play a critical role in determining the behavior and response of nuclear fuel. Given that Xe has little solubility in UO 2 , it accumulates and forms bubbles, which significantly impact fuel performance. Intra- and inter-granular bubble nucleation and growth can lead to fuel swelling, and once bubbles interconnect at grain boundaries, fission gas can be released into the plenum. At low temperatures, limited uranium vacancy mobility can restrict swelling, therefore causing the bubbles to become highly pressurized. Consequently, this can induce micro-cracking, promote fission gas release (increasing the likelihood of cladding failure), and even lead to fuel pulverization under accident conditions such as a loss of coolant accident. As bubble evolution is strongly influenced by local temperature and fission rate, markedly different behavior occurs across the radial profile of the fuel pellet. Capturing the mechanisms that underpin bubble evolution is therefore important to predict these behaviors in the fuel. Previous models describing important mechanisms informed by lower length scale simulations have been developed under the NEAMS program. These can describe the evolution of a single bubble type (i.e., single value for radius and pressure) at each position in the pellet, for instance using the Centipede cluster dynamic code. However, in reality, a full distribution in bubble sizes and pressures exists within the microstructure at a given position in the pellet. To address this the cluster dynamics code Xolotl, which can predict Xe and vacancy phase space (i.e., bubble distributions) for intra-granular bubbles, has been used before. Prior work benchmarked the Xolotl code against the Centipede cluster dynamics code to ensure compatibility and to verify that mobile defect properties are adequately transferred between the two codes, along with some physics improvements. In this work, we go further by introducing a physics-based set of improvements that will allow us to accurately predict bubble size distributions and internal bubble pressures under representative UO 2 irradiation conditions. The improvements include (i) coupling bubble-defect reaction energies to a virial equation of state (EOS), (ii) including a bubble surface tension contribution, (iii) incorporating radiation-induced re-solution of Xe and vacancies, (iv) enabling pressure-driven dislocation loop punching through an effective emission of interstitial clusters informed by interstitial loop energetics, (v) accounting for radiation induced athermal diffusion of Xe, and (vi) implementing a Booth-type grain boundary sink representation for all mobile defects and defect clusters. After these modifications, we observe good agreement of Xolotl fission gas bubble size and concentration predictions with legacy experimental measurements. Additionally, it allows the distribution of Xe bubble pressures and radius to also be predicted and compared to data produced through the Advanced Fuels Campaign (AFC) program. Here, we have done this by running simulations under conditions similar to the AFC post-irradiation examination (PIE) samples irradiated at North Anna 2 light water reactor (LWR). Our results shows excellent agreement with these experimental measurements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Cluster spin glass correlations and dynamics in Zn 0.5⁢ Mn 0.5⁢ Te

Here, we present a combined magnetometry, muon spin-relaxation (𝜇⁢SR), and neutron-scattering study of the insulating spin glass Zn 0.5 ⁢Mn 0.5 ⁢Te, for which magnetic Mn 2+ and nonmagnetic Zn 2+ ions are randomly distributed on a face-centered cubic lattice. The magnetometry and 𝜇⁢SR results confirm a spin freezing transition around 𝑇 𝑓 ≈ 23 K, with the spin-fluctuation rate decreasing gradually and somewhat inhomogeneously through the sample volume as the temperature decreases toward 𝑇 𝑓 . Characteristic spin-correlation times well above 𝑇 𝑓 are on the order of 10 −10 s, much slower than typically observed in canonical spin glasses but in line with expectations for a cluster spin glass. Using magnetic pair distribution function (mPDF) analysis and reverse Monte Carlo (RMC) modeling of the magnetic diffuse neutron-scattering data, we show that the spin-glass ground state consists of clusters of spins exhibiting short-range-ordered type-III antiferromagnetic correlations with a locally ordered moment of 3.1⁢(1)⁢𝜇 B between nearest-neighbor spins. The type-III correlations decay exponentially as a function of spin separation distance with a correlation length of approximately 5 Å. The diffuse magnetic scattering and corresponding mPDF show no significant changes across 𝑇 𝑓 , indicating that the dynamically fluctuating short-range spin correlations in the paramagnetic state retain the same basic type-III configuration that characterizes the spin-glass state; the only change apparent from the neutron-scattering data is a gradual reduction of the correlation length and locally ordered moment with increasing temperature. Taken together, these results paint a unique and detailed picture of the local magnetic structure and dynamics in Zn 0.5 ⁢Mn 0.5⁢ Te and provide strong evidence that this material is best described as a cluster spin glass. In addition, this work showcases a statistical method for extracting diffuse scattering signals from neutron powder diffraction data, which we developed to facilitate the mPDF and RMC analysis of the neutron data. This method has the potential to be broadly useful for neutron powder diffraction experiments on a variety of materials with short-range atomic or magnetic order.

magnetism

Domain-Dependent Electronic Properties of 2D Copper Boride Synthesized from Reversible Subsurface Diffusion on Cu(111)

Emerging boron-based 2D materials hold properties with potential applications ranging from electronic devices to catalysis and energy storage. Using physical vapor deposition, 2D copper borides are formed on Cu(111) at elevated temperatures. However, the as-prepared surfaces often contain boron clusters that compromise structural homogeneity, and the dynamics of their formation is not yet fully understood. Through in situ low-energy electron microscopy (LEEM), Auger electron spectroscopy (AES), and scanning tunneling microscopy/spectroscopy (STM/STS), we show that cluster-free 2D CuB x is synthesized via reversible subsurface diffusion of boron atoms. The resolved regular atomic structure aligns with the previously calculated Cu 8 B 14 model. In a rare case, possibly due to surface strain and a change of orientation, a second domain of CuB x was observed with a pronounced change in electronic properties, yet electronic states remain delocalized in both domains. In conclusion, these findings demonstrate the sensitivity of electronic properties to domain structure and highlight a potential opportunity to tune 2D CuB x for diverse applications.

77 NANOSCIENCE AND NANOTECHNOLOGY

Far Ultraviolot Space Telescope (FAUST)

The Far Ultraviolet Space Telescope is a compact, wide field-of-view, far ultraviolet instrument designed for observations of extended and point sources of astronomical interest. It was originally used in sounding rocket work by both French and American investigators. The instrument was modified for flight on the space shuttle and flew on the Spacelab 1 mission as a joint effort between the Laboratoire d'Astronomie Spatiale and the University of California, Berkeley. The prime experiment objective of this telescope on the Atmospheric Laboratory Applications and Science (ATLAS 1) NASA mission is to observe faint astronomical sources in the far ultraviolet with sensitivities far higher than previously available. The experiment will cover the 1300 to 1800 A band, which is inaccessible to observers on earth. The observing program during the mission consists of obtaining deep sky images during spacecraft nighttime. The targets will include hot stars and nebulae in our own galaxy, faint diffuse galactic features similar to the cirrus clouds seen by the Infrared Astronomical Satellite (IRAS), large nearby galaxies, nearby clusters of galaxies, and objects of cosmological interest such as quasars and the diffuse far ultraviolet background.

Bowyer, S.

Diffusion in Melts and Magmas

Diffusion results from random motion of particles and entities. Diffusion in melts and magmas is due to thermally excited random motion of atoms, ions, and clusters, and plays a critical role in magmatic and volcanic processes. In melts and magmas, diffusion is one of the two mechanisms of mass transfer; the other being bulk flow (referred to as convection or advection). When both are present, diffusion refers to the dispersive motion relative to the mean bulk flow in a given reference frame (Richter et al. 1998). Diffusion plays critical roles in controlling magma mixing (Watson 1982; Koyaguchi 1985, 1989; Lesher 1994; Huber et al. 2009; Guo and Zhang 2020), mineral growth and dissolution rates in magmas (e.g., Watson 1982; Harrison and Watson 1983; Zhang et al. 1989; Newcombe et al. 2014; Macris et al. 2018), bubble growth and dissolution rate in magmas (Sparks 1978; Proussevitch and Sahagian 1998; Liu and Zhang 2000; Zhang 2013), and elemental and isotope fractionation during mineral 2 growth and dissolution (Jambon 1980; Richter et al. 1999, 2003; Watson and Muller 2009; Chopra et al. 2012; Watkins et al. 2014, 2017; Holycross et al. 2016, 2018). As a result, diffusion also plays an essential role in explosive volcanic eruptions and magma crystallization. Furthermore, diffusion has important applications in geospeedometry (Lasaga 1983, 1998; Zhang 1994, 2008; Trail et al. 2016; Zhang and Xu 2016). Experimental investigation of diffusion in geologically relevant silicate melts began to flourish in the 1970’s when micro-analytical measurements of diffusion profiles became available. In addition to the vast number of papers published since then, numerous books and reviews are available for diffusion in silicate melts. Hofmann et al. (1974) edited a book titled “Geochemical Transport and Kinetics” published by Carnegie Institution of Washington. This was the first landmark book summarizing the field. Lasaga and Kirkpatrick (1981) edited a book “Kinetics of Geochemical Processes” as volume 8 of the Reviews in Mineralogy (later becoming Reviews in Mineralogy and Geochemistry) series. Zhang and Cherniak (2010) edited “Diffusion in Minerals and Melts” as volume 72 of Reviews of Mineralogy and Geochemistry series, in which one chapter focused on diffusion theory, five chapters on diffusion in silicate melts (Behrens 2010; Lesher 2010; Liang 2010; Zhang and Ni 2010; Zhang et al. 2010), and other chapters were on experimental, analytical, and computational methods, and diffusion in minerals. Several textbooks covered the principles and applications of diffusion theories (Kirkaldy and Young 1987; Shewmon 1989; Cussler 1997; Lasaga 1998; Zhang 2008; Vrentas and Vrentas 2016), and two classic books covered the mathematics of diffusion (Carslaw and Jaeger 1959; Crank 1975). In preparing for this review chapter, we thought carefully about what to cover for this vast field, and decided to briefly go through the fundamentals of diffusion (more complete review can be found in Chakraborty 1995; Zhang 2008, 2010) and solutions to often-encountered 3 diffusion problems, and then focus on post-2010 diffusion studies on silicate melts and magmas. Here, melts refer to (mostly natural) silicate liquid, and magmas refer to crystal-bearing and/or bubble-bearing melts in which the continuous phase is the melt. There is a large body of work on diffusion in glasses, especially in the materials science literature, which is not covered in this review.

Youxue Zhang