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At least 1,171 records · Page 65

Cumulant methods for electron-phonon problems. II. The self-consistent cumulant expansion

Here in this paper we present a self-consistent cumulant expansion (SC-CE) and investigate its accuracy for the one-dimensional Holstein model with and without phonon dispersion. We show that for finite lattice sizes, the numerical integration of the SC-CE equations becomes unstable at long times. This defect is partially ameliorated when studying systems in the thermodynamic limit, enabling the demonstration that the SC-CE corrects many deficits of the standard perturbative CE in the (nondispersive) Holstein model. The natural phonon damping that arises in the more realistic dispersed Holstein model renders the SC-CE stable, allowing for a complete assessment of the method. Here, we find that self-consistency dramatically corrects many of the failures found in the perturbative CE, but also introduces some unphysical features. Finally, we comment on the potential use of SC-CE as a tool for calculating Green's functions in generic many-body problems.

36 MATERIALS SCIENCE↗

Plasma waves in a relativistic, strongly anisotropic plasma propagated along a strong magnetic field

The dispersion properties of plasma waves in a relativistic homogeneous plasma propagated along a strong magnetic field are studied. It is shown that the non-damping plasma waves exist in the frequency range omega sub p or = omega or = omega sub L. The values of omega sub p and omega sub L are calculated for an arbitrary homogeneous relativistic function of the particle distribution. In the case of a power ultrarelativistic distribution, it is shown that, if the ultrarelativistic tail of the distribution drops very rapidly, slightly damping plasma waves are possible with the phase velocity (omega/K)c.

Onishchenko, O. G.↗

IRAS colors of normal stars

Using stars from the Bright Star Catalog, supplemented by cool dwarf stars from the Gliese catalog, that were detected by IRAS, the authors define empirically the median intrinsic visual-to-infrared color indices for 'normal' stars as a function of IRAS wavelength, spectral type and luminosity class. Anomalously red stars are discussed. Two otherwise undistinguished F giant stars are found with significant excesses at 12 microns. Be stars differ markedly from nonemission B stars in their V-(12) indices due to contamination of the former by free-free emission. Both B and Be stars show large dispersions in V-(25) colors that are associated with the heating of local, but strictly interstellar, dust clouds by some of the non-emission B stars. The derived sequences of stellar colors are closely approximated by either simple blackbody predictions or by model-atmosphere calculations.

Cohen, Martin↗

Measurements of microlens performance

We present results of laboratory evaluations of several microlens types that have been designed and fabricated at the Lockheed Research and Development Division. The microlenses include wideband and dispersive types, in isolation and in arrays, and fabricated with binary or grayscale methods. Different lens pixel geometries are considered, including square, hexagonal, and skewed microlenses. We describe our micro-optics laboratory testbed which has been designed for the evaluation of individual lenslets or 2D arrays at selected spectral wavelengths. Measurement capabilities include focal length, point-spread functions, wavefront quality, and modulation transfer functions. Our present effort focuses on the results of point spread function measurements and their comparison with design predictions.

Shough, D.↗

Nature and location of the source of plasma sheet boundary layer ion beams

Onsager et al. (1991) have put forward a model of the formation of the plasma sheet boundary layer (PSBL) which relies on a steady source of plasma from a spatially extended plasma sheet, together with steady equatorward and earthward ExB convection of field lines due to reconnection at a downtail neutral line. This model is a synthesis of earlier proposals and it explains such features as an electron layer exterior to the ion boundary layer, ion velocity dispersion, counter streaming beams, low-speed cutoffs in the beams. It also explains the apparent evolution of the ion beams through 'kidney bean' shaped velocity-space distributions toward quasi-isotropic shells without invoking pitch angle scattering or energy diffusion. In this paper we explore two ramifications of the model. In principle we can map, as a function of time, the downtail neutral line distance and establish whether or not it is retreating during substorm recovery. We can also reconstruct the plasma distribution function near the neutral line to see if it is most consistent with mantle or plasma sheet plasma. We perform this analysis using International Sun Earth Explorer (ISEE) Fast Plasma Experiment (FPE) data for two plasma sheet recovery events, one on March 1, 1978, and the other on April 18, 1978. On March 1, 1978, we find evidence for an initial retreat from around 110 to 160 R(sub E) in the first 15 min; little further retreat occurs thereafter. On April 18, 1978, the neutral line location ranges from as little as 40 R(sub E) tailward of the satellite to as much as 200 R(sub E), but there is no evidence for a systematic retreat. The reconstructed ion distributions for these events are most consistent with a plasma sheet origin for the March 1 case and possibly plasma mantle or low-latitude boundary layer for the April 18 case.

Elphic, R. C.↗

Chain Dynamics in a Dilute Magnetorheological Fluid

The structure, formation, and dynamics of dilute, mono-dispersive ferrofluid emulsions in an external magnetic field have been investigated using dynamic light scattering techniques. In the absence of the magnetic field, the emulsion particles are randomly distributed and behave like hard spheres in Brownian motion. An applied magnetic field induces a magnetic dipole moment in each particle. Dipolar interactions between particles align them into chains where correlation functions show two decay processes. The short-time decay shows the motion of straight chains as a whole where the apparent chain length increases with the applied magnetic field and the particle volume fraction. Good scaling results are obtained showing that the apparent chain length grows with time following a power law with exponent of 0.6 and depends on the applied field, particle volume fraction, and diffusion constant of the particles. The long-time decay in the correlation function shows oscillation when the chains reach a certain length with time and stiffness with threshold field This result shows that chains not only fluctuate, but move in a periodic motion with a frequency of 364 Hz at lambda = 15. It may suggest the existence of phonons. This work is the first step in the understanding of the structure formation, especially chain coarsening mechanism, of magnetorheological (MR) fluids at higher volume fractions.

Liu, Jing↗

Optical Performance of Reflectivity Control Devices for Solar Sail Applications

Reflectivity control devices (RCDs) based on polymer dispersed liquid crystals were fabricated for Solar Cruiser, a SmallSat NASA Pathfinder Mission consisting of a 1653 square meter solar sail that would establish an artificial orbit sunward of the L1 Lagrange point for heliophysics observations. Here we describe the optical characterization of these birefringent electro-optic devices including thin film measurements and analysis, hyperspectral bidirectional reflectance distribution function measurements, and radiometric analysis. These measurements demonstrate the promise of RCDs for roll control and momentum management of solar sails.

Radiometry↗

Optical Performance of Reflectivity Control Devices (RCDs) for Solar Sail Applications

Reflectivity control devices (RCDs) based on polymer dispersed liquid crystals were fabricated for Solar Cruiser, a SmallSat NASA Pathfinder Mission consisting of a 1653 square meter solar sail that would establish an artificial orbit sunward of the L1 Lagrange point for heliophysics observations. Here we describe the optical characterization of these birefringent electro-optic devices including thin film measurements and analysis, hyperspectral bidirectional reflectance distribution function measurements, and radiometric analysis. These measurements demonstrate the promise of RCDs for roll control and momentum management of solar sails.

Solar Sails↗

Surface modification of ZIF ‐90 with triptycene for enhanced interfacial interaction in mixed‐matrix membranes for gas separation

Abstract Zeolite imidazole framework (ZIF‐90) nanoparticles were chemically modified by grafting triptycene moieties. The modified nanoparticles were introduced into a triptycene‐based polyimide as fillers to generate mixed matrix membranes (MMMs) for gas separation. The incorporation of “hook‐like” triptycene moieties in both dispersed and continuous phases led to intimate contact between the two phases and thus defect‐free interfacial morphology, due to the supramolecular interlocking and π–π stacking interaction between triptycene units presented in both phases. The filler/polymer solution showed shear thickening behavior due to such strong interfacial interaction. The separation performance of the prepared composite membranes was investigated as a function of filler loading and particle surface grafting density. Pure‐gas permeation results showed that the gas permeabilities increased expectedly as the filler loading increased, with stable or improved selectivities. The reduced permeability relative to pristine polyimide film is likely due to the pore blockage of ZIF‐90 upon grafting triptycene moieties on the particle surface. Reducing the grafting density of triptycene moieties led to improved permeability and selectivity suggesting good tunability of this series of new composite membranes. Overall, modification of nanofiller with hierarchical triptycene moieties offers a fundamentally new avenue for creation of composite membranes with unique properties in gas separations.

Zhang, Qinnan↗

Many‐body response of benzene at monolayer MoS 2 : Van der Waals interactions and spectral broadening

Abstract Models of surface enhancement of molecular electronic response properties are challenging for two reasons: (a) molecule‐surface interactions require a simultaneous solution of the molecular and the surface dynamic response (a daunting task), and (b) when solving for the electronic structure of the combined molecule + surface system, it is not trivial to single out the particular physical effects responsible for enhancement. To tackle this problem, in this work, we apply a formally exact decomposition of the system's response function into subsystem contributions by using subsystem density functional theory (DFT), which grants access to dynamic polarizabilities and optical spectra. In order to access information about the interactions between the subsystems, we extend a previously developed subsystem‐based adiabatic connection fluctuation‐dissipation theorem of DFT to separate the additive from the nonadditive correlation energy and identify the nonadditive correlation as the van der Waals interactions. As an example, we choose benzene adsorbed on monolayer MoS 2 . We isolate the contributions to benzene's dynamic response arising from the interaction with the surface, and for the first time, we evaluate the enhancements to the effectiveness of C 6 coefficients as a function of benzene‐MoS 2 distance and adsorption site. We also quantify the spectral broadening of the benzene's electronic excited states due to their interaction with the surface. We find that the broadening has a similar decay law with the molecule‐surface distance as the leading van der Waals interactions (ie, R −6 ) and that the surface enhancement of dispersion interactions between benzene molecules is less than 5% but is still large enough (0.5 kcal/mol) to likely play a role in the prediction of interface morphologies.

Umerbekova, Alina↗

In-situ observation of single-phase compositionally-complex oxide formation during high-pressure and high-temperature synthesis

Compositionally-complex oxides (CCOs) with equal or non-equal atomic ratios of multi-principal cations are single-phase solid solutions and possess unique structural characteristics and correlated possibilities for tailorable and exceptional functionalities. However, breakdown of single-phase structure and phase separation impair widespread adoption of CCOs under in-service environments. Here, in-situ phase transformation during high-pressure and high-temperature synthesis of an exemplary CCO (CeZrHf) 0.852 (YbY) 0.148 O 2-δ is for the first time clarified by using synchrotron X-ray energy dispersive diffraction. During synthesizing at ~4.5 GPa inside a large-volume press, ZrO 2 and HfO 2 gradually initiate lattice diffusion as monoclinic (022) and (220) peaks collapse and merge completely at 973 K; CeO 2 starts diffusing as the dramatic intensity change of cubic (220) peak above 1073 K, causing a metastable phase formation; single-phase solid solution ultimately forms at 1673 K. Importantly, the results revealed provide in-depth understanding of phase transformation dynamics and insights for novel design paradigm of CCOs.

36 MATERIALS SCIENCE↗

Understanding Binder–Silicon Interactions during Slurry Processing

The conformation of poly(acrylic acid) (PAA) as a function of shear during slurry processing to construct silicon-based anodes is elucidated via rheology-coupled ultra-small-angle neutron scattering (rheo-USANS). Rheo-USANS shows that PAA with encapsulated silicon exists as discrete aggregates that do not interact with one another. As a result, a well-connected matrix of silicon and carbon black dispersed in PAA does not exist; thus, the electrode is inhomogeneous. Raman mapping and X-ray photoelectron spectroscopy were used to confirm the electrode heterogeneity and further understand the cycling properties. These results are correlated to silicon surface chemistry to provide a pathway to making better electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mapping the Perseus galaxy cluster with XRISM: Gas kinematic features and their implications for turbulence

We present extended gas kinematic maps of the Perseus cluster based on a combination of five new XRISM/Resolve pointings observed in 2025 with four performance verification datasets from 2024, totaling a net exposure of 745 ks. To date, Perseus remains the only cluster that has been extensively mapped out to ≃0.7 r 2500 by XRISM/Resolve, while simultaneously offering sufficient spatial resolution to resolve gaseous substructures driven by mergers and active galactic nucleus (AGN) feedback. Our observations cover multiple radial directions and a broad range of dynamical scales, enabling us to characterize the kinematic properties of the intracluster medium up to a scale of ∼500 kpc. In the measurements, we detected high-velocity dispersions (≃300km s −1 ) in the eastern region of the cluster that are spatially coincident with the extended X-ray surface brightness excess and correspond to a nonthermal pressure fraction of ≃7 − 13%. The velocity field outside the AGN-dominant region can be effectively described by a single, large-scale kinematic driver based on the velocity structure function, which statistically favors an energy injection scale of at least a few hundred kpc. The estimated turbulent dissipation energy is comparable to the gravitational potential energy released by a recent merger, implying a significant role of turbulent cascade in the merger energy conversion. In the bulk velocity field, we observed a dipole-like pattern along the east-west direction with an amplitude of ≃ ± 200 − 300 km s −1 , indicating rotational motions induced by the recent merger event. This feature constrains the viewing direction to ≃30° −50° relative to the normal of the merger plane. Our hydrodynamic simulations suggest that Perseus has experienced at least two energetic mergers since redshift z ∼ 1, the most recent of which is associated with the radio galaxy IC310, in agreement with recent SRG/eROSITA findings. This study showcases exciting scientific opportunities for future missions with high-resolution spectroscopic capabilities (e.g., HUBS, LEM, and NewAthena).

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamic study of the upper Sao Francisco River and the Tres Marias reservoir using MSS/LANDSAT images

The use of LANDSAT multispectral ban scanner imagery to verify the relationship between the behavior of the Tres Marias reservoir and the dynamics of the Sao Francisco River supply basin is described. The dispersion of suspended sediments and their concentration in the surface layers of the water are considered. A five year survey of the region during both dry and rainy seasons was performed. The drainage network was analyzed based on the patterns of dessication, water rises and soil use in the supply basin. Surface layers of the reservoir were tabulated as a function of the levels of gray in the imagery. In situ observations of water depth and reflectance were performed. Ground truth and LANDSAT data were correlated to determine the factors affecting the dynamics of the supply basin.

Dejesusparada, N.↗

Measuring Hydrogen Plumes With Raman Lidar

Prototype Raman lidar system measures concentration of hydrogen gas in atmosphere as function of position, with range resolution of 3 ft over 3,000 ft. Sensitive to concentrations smaller than 0.5 percent, 10 times below minimum flammable concentration. Pulsed ultraviolet laser beam excites Raman emissions from molecules to be detected. Backscattered light collected by telescope, filtered at appropriate wavelengths, and sent to photodetectors. Developed for use as safety monitor, and to study dispersion of hydrogen gas leaking into atmosphere.

Caputo, Bernard↗

Evaluation of the Radioactive Material Release in the Harborview Research and Training Building and Implications for Emergency Response

On May 2, 2019, during the 137 Cs source recovery operation, a source capsule in a research irradiator containing approximately 77.1 TBq was breached. Based on a geometric reconstruction analysis of the damage to the capsule, approximately 46.3 GBq (0.04%) was impacted by the chop saw (grinder) inside a Mobile Hot Cell (MHC) on the loading dock at the University of Washington Harborview Research and Training (HRT) Building. A very small fraction of the material impacted, less than 1%) was released from the Mobile Hot Cell and then to the rest of the HRT Building. The objectives of this project were to assess the accidental release of 137 CsCl and its implications related to emergency response methods and the ramifications of 137 CsCl transport. The phenomenology of this event was also compared with past alkali halide dispersal events. The vast number of measurements and samples collected by the remediation contractors, the Department of Energy's Nuclear Emergency Support Team, and the small number of retrospective samples collected by the authors informed the analysis. The techniques included (1) autoradiography and electron microscopy of samples collected from the HRT Building and the irradiator, (2) 3D visualization of deposition on surfaces and within the ventilation system, and (3) a study of the damage to the source capsule to evaluate the Cs particle size and particle composition due to the grinding accident. Subsequently, the cesium contaminant transport through the numerous pathways in the building was reconstructed to assess the deposition on surfaces as a function of particle size. The implications for emergency response are relevant to data quality and management. A Data Quality Objective (DQO) guides data collection methods so that they have appropriate accuracy and precision for the intended application. Recommendations were made with respect to the sample collection protocols and sample archival.

61 RADIATION PROTECTION AND DOSIMETRY↗

One-Pot Coating of Ceramic Powders by Exfoliated Boron Nitride Layers with a Dense CO 2 Medium and Ultrasound-Aided Mixing

The coating or doping of substrates by two-dimensional materials to impart superior functional properties (such as improved thermal conductivity, bacterial resistance, reduced friction) is receiving increased attention. Environmentally benign, rapid and scalable coating techniques are desirable for this purpose. Here, we report a novel process for coating alumina, silicon carbide and boron carbide substrates with hexagonal boron nitride (h-BN) layers. The process consists of two sequential steps. First, h-BN layers are exfoliated from bulk h-BN in supercritical carbon dioxide (scCO 2 ) using ultrasound-aided mixing. This step is followed by self-assembly (i.e., coating) of the exfoliated h-BN on the substrates in liquid CO 2 also aided by ultrasound. The liquid CO 2 state is achieved by simply lowering the pressure and temperature of the first step below the critical point of CO 2 (P c = 72.8 atm; T c = 31.1 °C). Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) micrographs clearly reveal the exfoliation of h-BN under scCO 2 conditions as well as the h-BN assembly on various substrates under liquid CO 2 conditions. X-ray diffraction patterns confirm the structural integrity of the coated h-BN layers. It was also confirmed that without a transition to the liquid CO 2 phase following exfoliation in scCO 2 , there was negligible coating of h-BN on the substrates. Researchers in the field could consider this benign process to rapidly coat or dope materials with h-BN and other 2D materials to impart improved functional properties in myriad applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evolution of the Electronic and Excitonic Properties in 2D Ruddlesden–Popper Perovskites Induced by Bifunctional Ligands

2D Ruddlesden–Popper metal‐halide perovskites exhibit structural diversity due to a variety of choices of organic ligands. Incorporating bifunctional ligands in such materials is particularly intriguing since it can result in novel electronic properties and functions. However, an in‐depth understanding of the effects of bifunctional ligands on perovskite structures and, consequently, their electronic and excitonic properties, is still lacking. Here, in this work, n = 1 2D perovskites built with organic ligands containing ─CN, ─OH, ─COOH, ─phenyl (Ph), and ─CH 3 functional groups are investigated using ultraviolet and inverse photoemission spectroscopies, density functional theory calculations, and tight‐binding model analyses. The experimentally determined electronic gaps of the ─CN, ─COOH, ─Ph, and ─CH 3 based perovskites exhibit a strong correlation with the in‐plane Pb─I─Pb bond angle, while the ─OH based perovskite deviates from the linear trend. Based on the band structure calculations, this anomaly is attributed to the out‐of‐plane dispersion, caused predominantly by significant interlayer electronic coupling that is present in ─OH based perovskites. These results highlight the complex and diverse impacts of organic ligands on electronic properties, especially in terms of the involvement of strong interlayer electronic coupling. The impact of the bifunctional ligands on the evolution of the exciton binding energy is also addressed.

2D perovskites↗