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At least 865 records · Page 48

High precision real-time insertion device and monochromator synchronization at NSLS-II

We report that insertion devices have become the dominant photon source at synchrotron and free electron laser light source facilities the world over. Undulators, characterized by their small deflection parameter, exhibit a high degree of constructive interference in photon production from high energy charged particle beams leading to very high photon rates at specific harmonics of the fundamental frequency with relatively narrow spectral widths. Spectroscopic measurements of interest typically span several of these harmonic widths, which requires precision adjustment of an undulator’s magnetic gap to maintain peak flux within the much narrower bandwidth of a beamline monochromator at the desired energy. High precision insertion device controls are developed at NSLS-II including real-time linked control of monochromator hardware allowing for fast, high precision, hardware triggered, spectroscopic measurements. Furthermore, this fast fly scan method is described, compared statistically for self consistency, and shown to be far superior in both efficiency and accuracy as compared to standard step scan measurements.

36 MATERIALS SCIENCE↗

Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

Zero-field splitting (ZFS) is a fundamental molecular property that is especially relevant for single-molecule magnets (SMMs), electron paramagnetic resonance spectra, and quantum computing. Developing a method that can accurately predict ZFS parameters can be very powerful for designing new SMMs. One of the challenges is to include external correlation in an inherently multiconfigurational open-shell species for the accurate prediction of magnetic properties. Previously available methods depend on expensive multireference perturbation theory calculations to include external correlation. In this paper, we present spin-orbit-inclusive multiconfiguration and multistate pair-density functional theory (MC-PDFT) calculations of ZFSs; these calculations have a cost comparable to complete-active-space self-consistent field (CASSCF) theory, but they include correlation external to the active space. We found that combining a multistate formulation of MC-PDFT, namely, compressed-state multistate pair-density functional theory, with orbitals optimized by weighted-state-averaged CASSCF, yields reasonably accurate ZFS results

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling Interdiffusion Phenomena and the Role of Nanoscale Diffusion Barriers in the Copper–Gold System

Diffusion is one of the most fundamental concepts in materials science, playing a pivotal role in materials synthesis, forming, and degradation. Of particular importance is solid state interdiffusion of metals which defines the usable parameter space for material combinations in the form of alloys. This parameter space can be explored on the macroscopic scale by using diffusion couples. However, this method reaches its limit when going to low temperatures, small scales, and when testing ultrathin diffusion barriers. Therefore, this work transfers the principle of the diffusion couples to small scales by using core–shell nanowires and in situ heating. This allows us to delve into the interdiffusion dynamics of copper and gold, revealing the interplay between diffusion and the disorder–order phase transition. Our in situ TEM experiments in combination with chemical mapping reveal the interdiffusion coefficients of Cu and Au at low temperatures and highlight the impact of ordering processes on the diffusion behavior. The formation of ordered domains within the solid-solution is examined using high-resolution imaging and nanodiffraction including strain mapping. In addition, we examine the effectiveness of ultrathin Al 2 O 3 barrier layers to control interdiffusion of the diffusion couple. Our findings indicate that a 5 nm thick layer serves as an efficient diffusion barrier. Furthermore, this research provides valuable insights into the interdiffusion behavior of Cu and Au on the nanoscale, offering potential applications in the development of miniaturized integrated circuits and nanodevices.

alloys↗

Data-driven modeling of dislocation mobility from atomistics using physics-informed machine learning

Dislocation mobility, which dictates the response of dislocations to an applied stress, is a fundamental property of crystalline materials that governs the evolution of plastic deformation. Traditional approaches for deriving mobility laws rely on phenomenological models of the underlying physics, whose free parameters are in turn fitted to a small number of intuition-driven atomic scale simulations under varying conditions of temperature and stress. This tedious and time-consuming approach becomes particularly cumbersome for materials with complex dependencies on stress, temperature, and local environment, such as body-centered cubic crystals (BCC) metals and alloys. In this paper, we present a novel, uncertainty quantification-driven active learning paradigm for learning dislocation mobility laws from automated high-throughput large-scale molecular dynamics simulations, using Graph Neural Networks (GNN) with a physics-informed architecture. We demonstrate that this Physics-informed Graph Neural Network (PI-GNN) framework captures the underlying physics more accurately compared to existing phenomenological mobility laws in BCC metals.

36 MATERIALS SCIENCE↗

Hall instability driven seeding of helical magneto-Rayleigh–Taylor instabilities in axially premagnetized thin-foil liner Z-pinch implosions

Helical magneto-Rayleigh–Taylor instability (MRTI) structures have been observed in z-pinch-driven liner implosion experiments with a pre-imposed axial magnetic field. We show that the formation of these helical structures can be described by a Hall magnetohydrodynamical (HMHD) model. We used the 3D extended magnetohydrodynamics simulation code PERSEUS (which includes Hall physics) [Seyler and Martin, Phys. Plasmas 18, 012703 (2011)] to study these helical instabilities and show that a Hall interchange instability in low-density coronal plasma immediately surrounding the dense liner is responsible for producing helically oriented effects in the magnetic field and current density within the coronal layer. Here, this seeds the helical pitch angle of the MRTI even when other proposed helical seeding mechanisms are either not present in the experiments or not accounted for in the simulations. For example, this mechanism does not require low-density power-feed plasmas to be swept in from large radius or the development of electrothermal instabilities. The Hall Instability is, thus, a new, independent explanation for the origin of the helical instabilities observed in axially premagnetized liner experiments. Simulation results supporting this mechanism are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Energetic Materials

Energetic materials comprise explosives, pyrotechnics, and propellants. The science of energetic materials is dedicated to developing a means to predict performance and safety characteristics with high fidelity. This is a particular challenge and is predicated on materials science and engineering, physics, chemistry, and dynamic response in extreme conditions. Fundamental elements of these complicated composite materials remain grand challenges—from the design of high-energy metastable molecules, to the engineering of composite formulations, to the processing parameters that link to safety and performance characteristics in as-yet undetermined ways. Key elements include crystalline mechanics, grain dynamics, multiphase interfaces, thermal and mechanical damage, and failure—all linked to multistep and high-rate chemistry and shock physics. A future revolution in our understanding and predictive capability for energetic materials behavior and responses is dependent upon sustained focus and advances in materials research and development.

36 MATERIALS SCIENCE↗

Kilometer-wave type III burst - Harmonic emission revealed by direction and time of arrival

A type III solar burst was observed at seven frequencies between 3.5 MHz and 80 kHz by the Michigan experiment aboard the IMP-6 satellite. From the data burst direction of arrival as well as time of arrival can be determined. These quantities are predicted, using simple models whose parameters are varied to obtain a good fit to the observations. It is found that between 3.5 MHz and 230 kHz the observed radiation was emitted at the fundamental of the local plasma frequency, while below 230 kHz it was emitted at the second harmonic. The exciter particles that produced the burst onset and burst peak have velocities of 0.27 and 0.12, respectively, in units of the velocity of light.

Alvarez, H.↗

The abundance of acetylene in the atmosphere of Jupiter

The Q and R branches of the C2H2 nu(5) fundamental, observed in emission in an aircraft spectrum of Jupiter near 750/cm, have been analyzed with the help of an improved line listing for this band. The line parameters have been certified in the laboratory with the same interferometer used in the Jovian observations. The maximum mixing ratio of C2H2 is found to be between 5 times 10 to the -8th and 6 times 10 to the -9th power, depending on the form of its vertical distribution and the temperature structure assumed for the lower stratosphere. Most consistent with observations of both Q and R branches are: (1) distributions of C2H2 with a constant mixing ratio in the stratosphere and a cutoff at a total pressure of 100 mbar or less, and (2) the assumption of a temperature at 0.01 bar which is near 155 K.

Orton, G. S.↗

Interplanetary optical navigation using Charge Coupled Devices

Charge Coupled Devices (CCD) will be used as optical navigation image detectors in space missions planned for the 1980's. This paper presents analyses directed at assessing the performance of an imaging system employing a CCD (i.e., a solid state imager (SSI)), for a Jovian satellite tour environment. CCD operating principles are summarized and methods of calculating theoretical dynamic range presented. Methods of analyzing the SSI's ability to perform the fundamental optical navigation function of imaging a target body and one or more stars, are presented. This capability is expressed as a function of SSI optical and electronic parameters and of astrophysical parameters. The influence of these factors and pointing control errors on navigation picture budgets is analyzed. The effect of the sun's glare is analyzed from the standpoint of its reduction of SSI dynamic range and increase of navigation picture budget. Radiation effects on SSI navigation imaging performance are discussed and a method of analyzing probabilities of distinguishing real from false stars presented.

Davis, R. P.↗

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

Numerical solutions of jet-induced mixing in a partially full cryogenic tank are presented. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear-free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to solve the nondimensional form of steady state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of above stated parameters on the condensation Nusselt and Stanton numbers which characterize the steady-state interface condensation process are investigated. Detailed analysis to gain a better understanding of the fundamentals of fluid mixing and interface condensation is performed.

Lin, Chin-Shun↗

Numerical studies of the effects of jet-induced mixing on liquid-vapor interface condensation

Numerical solutions of jet-induced mixing in a partially full cryogenic tank are presented. An axisymmetric laminar jet is discharged from the central part of the tank bottom toward the liquid-vapor interface. Liquid is withdrawn at the same volume flow rate from the outer part of the tank. The jet is at a temperature lower than the interface, which is maintained at a certain saturation temperature. The interface is assumed to be flat and shear-free and the condensation-induced velocity is assumed to be negligibly small compared with radial interface velocity. Finite-difference method is used to solve the nondimensional form of steady state continuity, momentum, and energy equations. Calculations are conducted for jet Reynolds numbers ranging from 150 to 600 and Prandtl numbers ranging from 0.85 to 2.65. The effects of above stated parameters on the condensation Nusselt and Stanton numbers which characterize the steady-state interface condensation process are investigated. Detailed analysis to gain a better understanding of the fundamentals of fluid mixing and interface condensation is performed.

Lin, Chin-Shun↗

Determining state-space models from sequential output data

This talk focuses on the determination of state-space models for large space systems using only the output data. The output data could be generated by the unknown or deliberate initial conditions of the space structure in question. We shall review some relevant fundamental work on the state-space modeling of sequential output data that is potentially applicable to large space structures. If formulated in terms of some generalized Markov parameters, this approach is in some sense similar to, but much simpler than, the Juang-Pappa Eigensystem Realization Algorithm (ERA) and the Ho-Kalman construction procedure.

Lin, Jiguan Gene↗

Cost model relationships between textile manufacturing processes and design details for transport fuselage elements

Textile manufacturing processes offer potential cost and weight advantages over traditional composite materials and processes for transport fuselage elements. In the current study, design cost modeling relationships between textile processes and element design details were developed. Such relationships are expected to help future aircraft designers to make timely decisions on the effect of design details and overall configurations on textile fabrication costs. The fundamental advantage of a design cost model is to insure that the element design is cost effective for the intended process. Trade studies on the effects of processing parameters also help to optimize the manufacturing steps for a particular structural element. Two methods of analyzing design detail/process cost relationships developed for the design cost model were pursued in the current study. The first makes use of existing databases and alternative cost modeling methods (e.g. detailed estimating). The second compares design cost model predictions with data collected during the fabrication of seven foot circumferential frames for ATCAS crown test panels. The process used in this case involves 2D dry braiding and resin transfer molding of curved 'J' cross section frame members having design details characteristic of the baseline ATCAS crown design.

Metschan, Stephen L.↗

Preparation, structure and superconductivity of high T(c) compounds: Research of high temperature superconductors in Hungary

In this paper the main directions, methods and results of the investigation of high-T(c) superconductors in Hungary are briefly summarized. The fundamental idea of this research is to study the effect of starting conditions on the microstructure of samples and the influence of the latter one on their superconducting parameters. The investigation concerning technical development is also mentioned.

Kirschner, I.↗

First Test of Stochastic Growth Theory for Langmuir Waves in Earth's Foreshock

This paper presents the first test of whether stochastic growth theory (SGT) can explain the detailed characteristics of Langmuir-like waves in Earth's foreshock. A period with unusually constant solar wind magnetic field is analyzed. The observed distributions P(logE) of wave fields E for two intervals with relatively constant spacecraft location (DIFF) are shown to agree well with the fundamental prediction of SGT, that P(logE) is Gaussian in log E. This stochastic growth can be accounted for semi-quantitatively in terms of standard foreshock beam parameters and a model developed for interplanetary type III bursts. Averaged over the entire period with large variations in DIFF, the P(logE) distribution is a power-law with index approximately -1; this is interpreted in terms of convolution of intrinsic, spatially varying P(logE) distributions with a probability function describing ISEE's residence time at a given DIFF. Wave data from this interval thus provide good observational evidence that SGT can sometimes explain the clumping, burstiness, persistence, and highly variable fields of the foreshock Langmuir-like waves.

Cairns, Iver H.↗

Molecular-Based Optical Measurement Techniques for Transition and Turbulence in High-Speed Flow

High-speed laminar-to-turbulent transition and turbulence affect the control of flight vehicles, the heat transfer rate to a flight vehicle's surface, the material selected to protect such vehicles from high heating loads, the ultimate weight of a flight vehicle due to the presence of thermal protection systems, the efficiency of fuel-air mixing processes in high-speed combustion applications, etc. Gaining a fundamental understanding of the physical mechanisms involved in the transition process will lead to the development of predictive capabilities that can identify transition location and its impact on parameters like surface heating. Currently, there is no general theory that can completely describe the transition-to-turbulence process. However, transition research has led to the identification of the predominant pathways by which this process occurs. For a truly physics-based model of transition to be developed, the individual stages in the paths leading to the onset of fully turbulent flow must be well understood. This requires that each pathway be computationally modeled and experimentally characterized and validated. This may also lead to the discovery of new physical pathways. This document is intended to describe molecular based measurement techniques that have been developed, addressing the needs of the high-speed transition-to-turbulence and high-speed turbulence research fields. In particular, we focus on techniques that have either been used to study high speed transition and turbulence or techniques that show promise for studying these flows. This review is not exhaustive. In addition to the probe-based techniques described in the previous paragraph, several other classes of measurement techniques that are, or could be, used to study high speed transition and turbulence are excluded from this manuscript. For example, surface measurement techniques such as pressure and temperature paint, phosphor thermography, skin friction measurements and photogrammetry (for model attitude and deformation measurement) are excluded to limit the scope of this report. Other physical probes such as heat flux gauges, total temperature probes are also excluded. We further exclude measurement techniques that require particle seeding though particle based methods may still be useful in many high speed flow applications. This manuscript details some of the more widely used molecular-based measurement techniques for studying transition and turbulence: laser-induced fluorescence (LIF), Rayleigh and Raman Scattering and coherent anti-Stokes Raman scattering (CARS). These techniques are emphasized, in part, because of the prior experience of the authors. Additional molecular based techniques are described, albeit in less detail. Where possible, an effort is made to compare the relative advantages and disadvantages of the various measurement techniques, although these comparisons can be subjective views of the authors. Finally, the manuscript concludes by evaluating the different measurement techniques in view of the precision requirements described in this chapter. Additional requirements and considerations are discussed to assist with choosing an optical measurement technique for a given application.

Bathel, Brett F.↗

Analysis of Experimental Ice Accretion Data and Assessment of a Thermodynamic Model During Ice Crystal Icing

This paper evaluates a thermodynamic ice crystal icing model that has been previously presented to describe the possible mechanisms of icing within the core of a turbofan jet engine. The model functions between two distinct ice accretions based on a surface energy balance: freeze-dominated icing and melt-dominated icing. Freeze-dominated icing occurs when liquid water (from melted ice crystals) freezes and accretes on a surface along with the existing ice of the impinging water and ice mass. This freeze-dominated icing is characterized as having strong adhesion to the surface. The amount of ice accretion is partially dictated by a freeze fraction, which is the fraction of impinging liquid water that freezes. Melt-dominated icing occurs as unmelted ice on a surface accumulates. This melt-dominated icing is characterized by weakly bonded surface adhesion. The amount of ice accumulation is partially dictated by a melt fraction, which is the fraction of impinging ice crystals that melts. Experimentally observed ice growth rates suggest that only a small fraction of the impinging ice remains on the surface, implying a mass loss mechanism such as splash, runback, bounce, or erosion. The fraction of mass loss must be determined in conjunction with the fraction of freezing liquid water or fraction of melting ice on an icing surface for a given ice growth rate. This mass loss parameter, however, along with the freeze fraction and melt fraction, are the only experimental parameters that are currently not measured directly. Using icing growth rates from ice crystal icing experiments, a methodology that has been previously proposed is used to determine these unknown parameters. This work takes ice accretion data from tests conducted by the National Aeronautics and Space Administration (NASA) at the Glenn Research Center in 2018 that examined the fundamental physics of ice crystal icing. This paper continues evaluation of the thermodynamic model from a previous effort, with additions to the model that account for sub-freezing temperatures that have been observed at the leading edge of the airfoil during icing. The predicted temperatures were generally in good agreement with measured temperatures. Other key findings include the total wet-bulb temperature being a good first order indicator of whether icing is freeze-dominated (sub-freezing values) or melt-dominated (above freezing). Maximum sticking efficiency values, the fraction of impinging mass that adheres to a surface, was calculated to be about 0.2, and retained this maximum value for a range of melt ratios (0.3 to 0.65 and possibly higher), which is defined as the ratio of liquid water content to total water content. Higher air velocities reduced the maximum sticking efficiency and shifted the icing regime to higher melt ratio values. Finally, the leading edge ice accretion angle was found to be related to ice growth (lower growth rates for smaller angles) and melt ratio (smaller melt ratios resulted in smaller angles, likely due to erosion effects).

Ice-Crystal Icing↗

Challenges of standard halo models in constraining galaxy properties from cosmic infrared background anisotropies

The halo model, combined with halo occupation distribution (HOD) prescriptions, is widely used to interpret cosmic infrared background (CIB) anisotropies and extract physical information about star-forming galaxies and their connection to large-scale structures. Recent CIB-specific implementations of the halo model have adopted more physical parameterizations. However, the extent to which these models can reliably recover meaningful physical parameters remains uncertain. We assessed whether the current parameterization of CIB halo models is sufficient to recover astrophysical quantities, such as star formation efficiency, η(M h , z), and halo mass at which the peak of star formation efficiency occurs, M max , when fit to mock data. We also assessed whether discrepancies arise from assumptions about galaxy emission (the HOD ingredients) or from more fundamental components in the halo model, such as bias and matter clustering. We fit the M21 CIB HOD model, implemented within the halo model framework, to mock CIB power spectra and star formation rate density (SFRD) data generated from the SIDES-Uchuu simulation, and compared the best-fit parameters to the known simulation inputs. We then repeated the analysis using a simplified version of the simulation (SSU), explicitly designed to match the HOD assumptions. A detailed comparison of model and simulation outputs was carried out to trace the origin of observed discrepancies. While the M21 HOD model provides a good fit to the mock data, it failed to recover the intrinsic parameters accurately, particularly the halo mass at which star formation efficiency peaks. This mismatch persists even when fitting data generated with the same model assumptions. We find strong agreement (within 5%) in the emission-related components (SFRD, emissivity), but observe a scale- and redshift-dependent offset exceeding 20% in the two-halo term of the CIB power spectrum. This likely arises from limitations in the treatment of halo bias and matter clustering within the linear approximation. Additionally, incorporating scatter in the SFR–halo mass relation and the spectral energy distribution (SED) templates significantly affects the shot noise (∼50%), but has only a modest impact (less than 10%) on the clustered component. These results suggest that recovering physical parameters from CIB clustering requires improvements to the cosmological ingredients of the halo model framework, such as adopting scale-dependent halo bias and nonlinear matter power spectra in addition to careful modeling of emission physics.

cosmic background radiation↗