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At least 109 records · Page 6

Influence of Ionization Source Conditions on the Gas-Phase Protomer Distribution of Anilinium and Related Cations

The gas-phase-ion generation technique and specific ion-source settings of a mass spectrometer influence heavily the protonation processes of molecules and the abundance ratio of the generated protomers. Hitherto that has been attributed primarily to the nature of the solvent and the pH. By utilizing electrospray ionization and ion-mobility mass spectrometry (IM-MS), we demonstrate, even in the seemingly trivial case of protonated aniline, that the protomer ratio strongly depends on the source conditions. Under low in-source ion activation, nearly 100% of the N-protomer of aniline is produced, and it can be subsequently converted to the C-protomer by collisional activation effected by increasing the electrical potential difference between the entrance and exit orifices of the first vacuum region. This activation and transformation process takes place even before the ion is mass-selected and subjected to IM separation. Despite the apparent simplicity of the problem, the preferred protonation site of aniline in the gas phase—the amino group or the aromatic ring—has been a topic of controversy. Our results not only provide unambiguous evidence that ring- and nitrogen-protonated aniline can coexist and be interconverted in the gas phase, but also that the ratio of the protomers depends on the internal energy of the original ion. There are many dynamic ion-transformation and fragmentation processes that take place in the different physical compartments of a Synapt G2 HDMS instrument. Such processes can dramatically change the very identity even of small ions, and therefore should be taken into account when interpreting product-ion mass spectra. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Connecting galaxy evolution in clusters with their radial profiles and phase space distribution: results from the IllustrisTNG hydrodynamical simulations

ABSTRACT We study the population of galaxies around galaxy clusters in the hydrodynamic simulation suite IllustrisTNG 300-1 to study the signatures of their evolutionary history on observable properties. We measure the radial number density profile, phase space distribution, and splashback radius for galaxies of different masses and colours over the redshift range z = 0−1. The three primary physical effects which shape the galaxy distribution within clusters are the galaxy quenching, angular momentum distribution, and dynamical friction. We find three distinct populations of galaxies by applying a Gaussian mixture model to their distribution in colour and mass. They have distinct evolutionary histories and leave distinct signatures on their distribution around cluster haloes. We find that low-mass red galaxies show the most concentrated distribution in clusters and the largest splashback radius, while high-mass red galaxies show a less concentrated distribution and a smaller splashback radius. Blue galaxies, which mostly quench into the low-mass red population, have the shallowest distribution within the clusters, with those on radial orbits quenched rapidly before reaching pericentre. Comparison with the distribution of galaxies from the Dark Energy Survey survey around Sunyaev–Zeldovich clusters from the Atacama Cosmology Telescope and South Pole Telescope surveys shows evidence for differences in galaxy evolution between simulations and data.

79 ASTRONOMY AND ASTROPHYSICS↗

On the Neutrino Distributions in Phase Space for the Rotating Core-collapse Supernova Simulated with a Boltzmann-neutrino-radiation-hydrodynamics Code

With the Boltzmann-radiation-hydrodynamics code, which we have developed to solve numerically the Boltzmann equations for neutrino transfer, the Newtonian hydrodynamics equations, and the Newtonian self-gravity simultaneously and consistently, in this work we simulate the collapse of a rotating core of the progenitor with a zero-age- main-sequence mass of 11.2 M ⊙ and a shellular rotation of $1\,\mathrm{rad}\,{{\rm{s}}}^{-1}$ at the center. We pay particular attention in this paper to the neutrino distribution in phase space, which is affected by the rotation. By solving the Boltzmann equations directly, we can assess the rotation-induced distortion of the angular distribution in momentum space, which gives rise to the rotational component of the neutrino flux. We compare the Eddington tensors calculated both from the raw data and from the M1-closure approximation. We demonstrate that the Eddington tensor is determined by complicated interplays of the fluid velocity and the neutrino interactions and that the M1-closure, which assumes that the Eddington factor is determined by the flux factor, fails to fully capture this aspect, especially in the vicinity of the shock. We find that the error in the Eddington factor reaches ~20% in our simulation. This is due not to the resolution but to the different dependence of the Eddington and flux factors on the angular profile of the neutrino distribution function, and hence modification to the closure relation is needed.

79 ASTRONOMY AND ASTROPHYSICS↗

Measurement and Analysis of Beam Phase-Space Distributions for the Fermilab Muon Campus Accelerator Complex

The Muon g-2 experiment at Fermilab is tasked with measuring the muon’s anomalous magnetic moment with high precision. Since the experiment requires large amounts of muons, it is imperative to systematically study the behavior of the beam along the transport line. Unfortunately, the available diagnostics only provide beam information in X-Y space. For a complete evaluation, information of the phase-space is required. This paper demonstrates a technique to measure the beam phase-direction distribution by using a set of beam profiles. First, we establish the theoretical framework that describes the principle of the technique. Next, we apply the technique at four different locations along the accelerator delivery line. Finally, we compare our findings to predictions from tracking simulations.

43 PARTICLE ACCELERATORS↗

Method of Distributions for Two‐Phase Flow in Heterogeneous Porous Media

Abstract Multiscale heterogeneity and insufficient characterization data for a specific subsurface formation of interest render predictions of multi‐phase fluid flow in geologic formations highly uncertain. Quantification of the uncertainty propagation from the geomodel to the fluid‐flow response is typically done within a probabilistic framework. This task is computationally demanding due to, for example, the slow convergence of Monte Carlo simulations (MCS), especially when computing the tails of a distribution that are necessary for risk assessment and decision‐making under uncertainty. The frozen streamlines method (FROST) accelerates probabilistic predictions of immiscible two‐phase fluid flow problems; however, FROST relies on MCS to compute the travel‐time distribution, which is then used to perform the transport (phase saturation) computations. To alleviate this computational bottleneck, we replace MCS with a deterministic equation for the cumulative distribution function (CDF) of travel time. The resulting CDF‐FROST approach yields the CDF of the saturation field without resorting to sampling‐based strategies. Our numerical experiments demonstrate the high accuracy of CDF‐FROST in computing the CDFs of both saturation and travel time. For the same accuracy, it is about 5 and 10 times faster than FROST and MCS, respectively.

Yang, Hyung Jun↗

The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO{sub 3} Fe{sub 3}Al, Co{sub 3}Al, and Ni{sub 3}Al based intermetallic phases

Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co, and Ti within the AlNi-based matrix phase. In this paper, we report the results of first-principles calculations of the site preference of ternary alloying additions in DO{sub 3} Fe{sub 3}Al, Co{sub 3}Al, and Ni{sub 3}Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which correspond to experimental situation, Ti and Fe are found to occupy the α sites, while Co and Ni prefer the γ sites of the DO{sub 3} lattice. An important finding is that the magnetic moments of transition metals in Fe{sub 3}Al and Co{sub 3}Al are ordered ferromagnetically, whereas the Ni{sub 3}Al were found to be nonmagnetic unless the Fe or Co is added as a ternary element.

36 MATERIALS SCIENCE↗

Effect of secondary electrons suppression on emittance measurement of an intense, low-energy beam

Transversal emittance measurements of intense low-energy beams involve use of collimators. As most of the beam is stopped by a collimator, a question arises whether the special conditions in the vicinity of the collimator influence emittance measurement. In particular, the secondary electrons emitted from the slit surface may affect the measurement of the beam phase distribution. We have observed significant modification in the measured phase space distribution of a 5–6 mA DC proton beam at the Soreq Applied Research Accelerator Facility low-energy transport after application of a weak magnetic field in the plane of the slit collimator. The periphery region of the phase distribution was mostly affected. The overall effect on the emittance value was as large as 20%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quasi-analytical synthesis of continuous phase correcting structures to increase the directivity of circularly polarized Fabry-Perot resonator antennas

This paper presents a quasi-analytical technique to design a continuous, all-dielectric phase correcting structures (PCSs) for circularly polarized Fabry-Perot resonator antennas (FPRAs). The PCS has been realized by varying the thickness of a rotationally symmetric dielectric block placed above the antenna. A global analytical expression is derived for the PCS thickness profile, which is required to achieve nearly uniform phase distribution at the output of the PCS, despite the non-uniform phase distribution at its input. An alternative piecewise technique based on spline interpolation is also explored to design a PCS. It is shown from both far- and near-field results that a PCS tremendously improves the radiation performance of the FPRA. These improvements include an increase in peak directivity from 22 to 120 (from 13.4 dBic to 20.8 dBic) and a decrease of 3 dB beamwidth from 41.5° to 15°. The phase-corrected antenna also has a good directivity bandwidth of 1.3 GHz, which is 11% of the center frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Canister Centerline Cooling Experiments for DPF5-336 Reference Material Made with ERV3b Salt Simulant

This report provides experimental details and results on the elemental distributions (compositions), crystalline/amorphous phase distribution, and microstructures for DPF5-336 reference materials made with ERV3b salt that were subjected to the canister centerline cooling (CCC) heat treatment process. To fabricate these materials, ammonium dihydrogen phosphate was mixed with ERV3b salt simulant and a dechlorination procedure was run in the generation-2 dechlorinator at the Pacific Northwest National Laboratory up to 600°C in an alumina crucible. After the dechlorination process, the product was removed from the crucible, lightly crushed, loaded into a new alumina crucible, Fe 2 O 3 was added, and this was vitrified at 1100°C for 1 hour and quenched. The quenched material was mostly amorphous but showed some small diffraction peaks attributed to Li 3 Fe 2 (PO 4 ) 3 . This quenched material was ground to a fine particle size in a milling chamber, and this was subjected to the CCC cooling profile in duplicate within alumina and fused quartz crucibles. The CCC experiment is designed to simulate the slowest cooling profile (the vertical centerline) of a 0.61-m diameter canister where the slower cooling profile often results in the production of a variety of different crystalline phases upon formation of which result in a residual glass of unknown composition and properties. The information gleaned from these types of experiments will lead to improved composition-property predictions for materials with similar compositions. The results of the alumina and fused quartz experiments show different microstructures but similar diffraction patterns providing evidence of similar crystalline phases being present in each sample. Both samples had monazite [i.e., (Ce,Nd)PO 4 ] and mixtures of phases containing P, Fe, and alkali metal elements. This report completes the milestone M4FT-23PN030104042 with details provided in Appendix B.

36 MATERIALS SCIENCE↗

High-Throughput Automated Exploration of Phase Growth Behaviors in Quasi-2D Formamidinium Metal Halide Perovskites

Quasi-2D metal halide perovskites (MHPs) are an emerging material platform for sustainable functional optoelectronics, but the uncontrollable, broad phase distribution remains a critical challenge for applications. Nevertheless, the basic principles for controlling phases in quasi-2D MHPs remain poorly understood, due to the rapid crystallization kinetics during the conventional thin-film fabrication process. In this work, a high-throughput automated synthesis-characterization-analysis workflow is implemented to accelerate material exploration in formamidinium (FA)-based quasi-2D MHP compositional space, revealing the early-stage phase growth behaviors fundamentally determining the phase distributions. Upon comprehensive exploration with varying synthesis conditions including 2D:3D composition ratios, antisolvent injection rates, and temperatures in an automated synthesis-characterization platform, it is observed that the prominent n = 2 2D phase restricts the growth kinetics of 3D-like phases—α-FAPbI 3 MHPs with spacer-coordinated surface—across the MHP compositions. Thermal annealing is a critical step for proper phase growth, although it can lead to the emergence of unwanted local PbI 2 crystallites. Additionally, fundamental insights into the precursor chemistry associated with spacer-solvent interaction determining the quasi-2D MHP morphologies and microstructures are demonstrated. The high-throughput study provides comprehensive insights into the fundamental principles in quasi-2D MHP phase control, enabling new control of the functionalities in complex materials systems for sustainable device applications.

2D perovskites↗

Ultra-thin metasurface microwave flat lens for broadband applications

In this paper, we demonstrate a metasurface-based ultrathin flat lens operating at microwave frequencies. A series of subwavelength metallic split-ring resonators, which are sandwiched between two cross-polarized metallic gratings, are defined to obtain a radially symmetric parabolic phase distribution, covering relative phase differences ranging from 0 to 2.5π radians to create a lens. The tri-layer lens exhibits focusing/collimating of broadband microwaves from 7.0 to 10.0 GHz, with a gain enhancement of 17 dBi at a central wavelength 9.0 GHz while fed by a rectangular horn antenna. The measured focal length agrees reasonably well with design, achieving a 3 dB directionality <4.5° and confirming high-quality beam collimation along the propagation direction. Finally, the demonstrated metasurface flat lens enables light-weight, low-cost, and easily deployable flat transceivers for microwave communication, detection, and imaging applications.

36 MATERIALS SCIENCE↗

Suppressing phase disproportionation in quasi-2D perovskite light-emitting diodes

Electroluminescence efficiencies and stabilities of quasi-two-dimensional halide perovskites are restricted by the formation of multiple-quantum-well structures with broad and uncontrollable phase distributions. Here, we report a ligand design strategy to substantially suppress diffusion-limited phase disproportionation, thereby enabling better phase control. We demonstrate that extending the π-conjugation length and increasing the cross-sectional area of the ligand enables perovskite thin films with dramatically suppressed ion transport, narrowed phase distributions, reduced defect densities, and enhanced radiative recombination efficiencies. Consequently, we achieved efficient and stable deep-red light-emitting diodes with a peak external quantum efficiency of 26.3% (average 22.9% among 70 devices and cross-checked) and a half-life of ~220 and 2.8 h under a constant current density of 0.1 and 12 mA/cm 2 , respectively. Our devices also exhibit wide wavelength tunability and improved spectral and phase stability compared with existing perovskite light-emitting diodes. These discoveries provide critical insights into the molecular design and crystallization kinetics of low-dimensional perovskite semiconductors for light-emitting devices.

14 SOLAR ENERGY↗

Towards a Workforce Roadmap for Distributed Wind: Phase 1 - Identifying Needs and Barriers

Despite recent policy, research efforts, and resources available for utility-scale and offshore wind workforce development, the distributed wind (DW) industry has yet to make similar advances to address its workforce challenges. This report initiates the phased development of a DW workforce roadmap to provide a foundation for roadmap development. Phase 1, contained in this report, uses desk-based research on clean energy workforce approaches and a DW interested-party survey to discuss needs and barriers hindering the workforce from expanding. Findings are summarized into goals and solutions for Phase 2 of roadmap development, which identifies actors responsible for implementing solutions identified in Phase 1. Phase 1 results suggest that the sector's small size and limited growth motivate the short-term need for skilled workers or candidates with well-rounded and multifaceted abilities. Long-term expansion plans must diversify positions while capitalizing on existing utility-scale wind and offshore workforce efforts, as well as other renewable sector best practices where possible. The findings in this report can advance workforce development in the DW sector by aligning interested industry parties around common goals to address challenges. Training providers, installers, operators, manufacturers, federal agencies, national laboratories, academic partners, and labor unions can utilize the findings to help promote sustainable growth of the DW sector.

17 WIND ENERGY↗

Model/Measurement Comparison of the Transverse Phase Space Distribution of an RFQ-Generated Bunch at the SNS BTF

The research program at the SNS Beam Test Facility is focused on resolving observed model/measurement discrepancies that preclude accurate loss prediction in high-power linacs. The current program of study is focused on deploying direct 6D measurements to reconstruct a realistic model of the initial beam distribution at the RFQ output. This detailed characterization also provides an opportunity for benchmark of RFQ simulations. Here we compare PARMTEQ predictions against 5D-resolved (x, x’, y, y’, dE) phase space measurements of the BTF H⁻ bunch, focusing on the transverse distribution. This work is an extension of [1], which focused on the longitudinal phase space.

Ruisard, Kiersten↗

Noise Reduction Potential of Phase Control for Distributed Propulsion Vehicles

Phase control is a noise reduction technique leveraging destructive interference of the coherent acoustic source field between a system of propellers rotating at equivalent rates. Carefully selecting the relative azimuthal blade positions (phase), the overall directivity of the blade passage frequency noise can be modified, potentially steering these tonal components away from sensitive areas. A modeling technique is described and validated using measurements of a dual-rotor system. The sensitivity of noise reduction through phase control is studied in a typical parameter space, i.e., dependence on rotation rate, number of propellers, spacing and layout, and rotation direction. Additionally, estimates of how realistic conditions, e.g., error in the phase controller, degrade potential benefits are described based on the generalized coherence of the system. From this, it is observed that the deviation from the nominal rotation rate should not exceed approximately 0.5% to achieve a 6 dB decrease at the blade passage frequency.

Kyle A Pascioni↗

Synthesis of offset dual reflector antennas transforming a given feed illumination pattern into a specified aperture distribution

The problem of transforming a given primary feed pattern into a desired aperture field distribution through two reflections by an offset dual reflector system is investigated using the concepts of geometrical optics. A numerically rigorous solution for the reflector surfaces is developed which realizes an exact aperture phase distribution and an aperture amplitude distribution that is accurate to within an arbitrarily small numerical tolerance. However, this procedure does not always yield a smooth solution, i.e., the reflector surfaces thus realized may not be continuous or their slopes may vary too rapidly. In the event of nonexistence of a numerically rigorous smooth solution, an approximate solution that enforces the smoothness of the reflector surfaces can be obtained. In the approximate solution, only the requirement for the aperture amplitude distribution is relaxed, and the condition on the aperture phase distribution is continued to be satisfied exactly.

Mittra, R.↗

In Situ Characterization of Ferroelectric HfO 2 During Rapid Thermal Annealing

Thermal annealing is critical in governing the phase distribution, and ultimately the electrical properties, of ferroelectric hafnium oxide films. In particular, rapid thermal annealing (RTA) has been shown to favor the formation of ferroelectric crystal phases, but the dynamic behavior of the film over the course of the anneal is not well understood. Herein, synchrotron X-ray diffraction is used to characterize the phase distribution of HfO 2 films deposited by atomic layer deposition (ALD) in situ during RTA, revealing complex phase transformations occurring on the scale of seconds. All samples investigated here transform into a nonmonoclinic phase, which is required for ferroelectric films. However, this phase often converts into the more stable monoclinic phase as annealing proceeds. The kinetic barrier to the transformation to the monoclinic phase during heating is higher than 1 eV f.u. -1 In this work, the initial crystallization into the ferroelectric phase and relatively high barrier to transformation to the nonferroelectric phase suggests that careful control of the thermal annealing profile can greatly increase the ferroelectric fraction of the film. By using a fast ramp rate and a short annealing time above the ferroelectric crystallization temperature, the remanent polarization of a pure HfO 2 film can be increased more than twofold.

36 MATERIALS SCIENCE↗