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At least 1,675 records · Page 93

Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO 3 -based Oxygen Sorbents

Perovskite oxides, as oxygen sorbents, exhibit excellent potential in thermochemical redox applications such as chemical looping air separation (CLAS), resulting from their excellent redox properties and high tunability. The structural and compositional flexibility of perovskites, while making these mixed oxides highly versatile, also poses challenges for their design and optimization. Moreover, the elevated operating temperature and dynamic oxygen partial pressure swings during redox processes add additional complications for oxygen sorbent design. From a fundamental standpoint, finding simple yet effective descriptors for the effect of cation substitutions on oxygen sorbents’ redox and oxygen transport properties are of significant importance for rational optimization of perovskite-based oxygen sorbents. In the present study, a series of A/B-site-doped SrFeO 3-δ perovskites are investigated using density functional theory (DFT) + U simulations. From these simulations, an effective electronic structural descriptor, the net electronic charge (Δe) of oxygen anions, is extracted based on its excellent correlations with vacancy formation energy, experimentally derived oxygen capacity, and oxygen vacancy migration barrier. Overall, these findings provide an effective tool to correlate the oxygen sorbents’ redox performances with a simple yet physically meaningful descriptor for rational design and optimization of perovskites in the context of CLAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis and Characterization of Carbon Microbeads

We report a microfluidic-based droplet generation platform for synthesizing micron-sized porous carbon microspheres. The setup employs carbon materials such as graphite, carbon nanotubes, graphene, fullerenes, and carbon black as starting materials. Custom composition, structure, and function are achieved through combinations of carbon materials, cross-linkers, and additives along with variations in process parameters. Carbon materials can be assembled into spheres with a mean diameter of units to hundreds of μm with relatively tight size distribution (<25% RSD). Pore structure and size (tens to hundreds of angstrom) can be modulated by incorporating porogen/coporogen dilutants during synthesis. The microbeads have excellent mechanical stability with an elastic modulus of hundreds of MPa. They can sustain high dynamic fluid flow pressures of up to 9000 psi. This work lays the foundation for synthesizing novel tailorable and customizable carbon microbeads. It opens avenues for applying these novel materials for composite and additive manufacturing, energy, life science, and biomedical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unifying Advective and Diffusive Descriptions of Bedform Pumping in the Benthic Biolayer of Streams

Abstract Many water quality and ecosystem functions performed by streams occur in the benthic biolayer, the biologically active upper (~5 cm) layer of the streambed. Solute transport through the benthic biolayer is facilitated by bedform pumping, a physical process in which dynamic and static pressure variations over the surface of stationary bedforms (e.g., ripples and dunes) drive flow across the sediment‐water interface. In this paper we derive two predictive modeling frameworks, one advective and the other diffusive, for solute transport through the benthic biolayer by bedform pumping. Both frameworks closely reproduce patterns and rates of bedform pumping previously measured in the laboratory, provided that the diffusion model's dispersion coefficient declines exponentially with depth. They are also functionally equivalent, such that parameter sets inferred from the 2D advective model can be applied to the 1D diffusive model, and vice versa. The functional equivalence and complementary strengths of these two models expand the range of questions that can be answered, for example, by adopting the 2D advective model to study the effects of geomorphic processes (such as bedform adjustments to land use change) on flow‐dependent processes and the 1D diffusive model to study problems where multiple transport mechanisms combine (such as bedform pumping and turbulent diffusion). By unifying 2D advective and 1D diffusive descriptions of bedform pumping, our analytical results provide a straightforward and computationally efficient approach for predicting, and better understanding, solute transport in the benthic biolayer of streams and coastal sediments.

Grant, Stanley B.↗

Shock compression of cemented tungsten carbides to 100 GPa: Structure of shock waves, Hugoniot relations, and strength

Plate impact experiments are conducted on cemented tungsten carbides (WC) with a 3.7 and 6.0 wt. % cobalt binder to better understand their dynamic, high-pressure response to 100 GPa. The measured wave profiles show propagation of steady structured waves. Standard impedance matching procedures are used to determine the Hugoniot relations in the shock velocity–particle velocity (U s –v p ) and Hugoniot stress–specific volume (P–V/V o ) planes. The Hugoniot elastic limit of the samples is controlled by ductility of the Co binder and is determined to be 4.45 ± 0.29 GPa for cemented WC with 3.7 wt. % cobalt and 3.72 ± 0.24 GPa for a 6.0 wt. % cobalt binder. Both grades show a non-linear U s –v p relationship depending on whether the particle velocity is in the strength dominated or hydrodynamic regime. In the strength dominated regime, a non-linear decrease in U s is observed as v p increases from ambient to the material’s hydrodynamic limit. In the hydrodynamic regime, the U s –v p Hugoniot is linear and is determined to be U s = 4.97(±0.006)+1.446(±0.018)v p km/s for WC with 3.7 wt. % Co and U s = 4.93(±0.006)+1.463(±0.017)v p km/s for 6 wt. % Co. Both WC grades indicate shear-stress hardening with mean stress immediately after yield, followed by pressure softening, and then a sharp fall in stress carrying capacity as the mean stress is increased to ≈70 GPa (hydrodynamic limit) and beyond. This behavior is in contrast to pure WC ceramics, which show continued shear-stress hardening with mean stress to ≈80 GPa.

36 MATERIALS SCIENCE↗

Investigating shock-induced chemical reactions in Ni+Al multilayers: A continuum-based mesoscale approach with Arrhenius kinetics and artificial thermal conduction

A new continuum-based mesoscale modeling approach for shock-induced chemical reactions (SICRs) in Ni+Al multilayers is demonstrated in Sandia’s shock physics hydrocode, CTH. The approach utilizes Arrhenius-type kinetics and artificial thermal conduction. Our work builds upon previous efforts to parameterize equations of state for Ni x Al y [J. Appl. Phys. 137, 075102 (2025)], as well as simulations of inert shocks in realistic 2D microstructures [J. Appl. Phys. 137, 225301 (2025)]. To calibrate the reaction kinetics, pairs of the reaction coordinate, R′, vs time are extracted from the molecular dynamics (MD) literature. Here, the MD-informed kinetics are used to simulate the dynamic evolution of pressure and temperature in 2D mesoscale simulations. Overall, the MD-informed kinetics obtained for planar interfaces are too slow, as initial reaction is not observed on a nanosecond time scale. Even with quasi-periodic shock focusing leading to the formation of so-called “hot-spots,” the hot spots are unable to grow and coalesce using the fitted Arrhenius rate constants. However, by increasing the rate constants by two orders of magnitude, SICRs are observed at a shock pressure near 30 GPa, which is supported by experiments. Consequently, these mesoscale simulations suggest that unresolved shear-based mechanical mixing might possibly account for the discrepancies in kinetic rates, with shock-generated intense perturbations, interfacial vortical flows, and elevated temperatures serving as favorable reaction conditions. Future work will calibrate a shear-dependent reaction rate from the MD simulations with realistic interfaces that are wavy, diffuse, and disordered.

Kittell, David E. [Sandia National Laboratories (S↗

Magnetic probe diagnostics of nonlinear standing waves and bulk ohmic electron power absorption in capacitive discharges

It is recognized that standing wave effects appearing in large-area, very-high-frequency capacitively coupled plasma (CCP) reactors cause center-high plasma non-uniformity. Using a high-frequency magnetic probe, we present a direct experimental diagnostic of the nonlinear standing waves and bulk ohmic electron power absorption dynamics in low pressure CCP discharges for different driving frequencies of 13.56, 30, and 60 MHz. The design, principle, calibration, and validation of the probe are described in detail. Spatial structures of the harmonics of the magnetic field, determined by the magnetic probe, were used to calculate the distributions of the harmonic current and the corresponding ohmic electron power deposition, providing insights into the behavior of nonlinear harmonics. At a low driving frequency, i.e. 13.56 MHz, no remarkable nonlinear standing waves were identified and the bulk ohmic electron power absorption was observed to be negligible. Here, the harmonic magnetic field/current was found to increase dramatically with the driving frequency, due to decreased sheath reactance and more remarkable nonlinear standing waves at a higher driving frequency, leading to the enhancements of the ohmic heating and the plasma density in the bulk, specifically at the electrode center. At a high driving frequency, i.e. 60 MHz, the high-order harmonic current density and the corresponding ohmic electron power absorption exhibited a similar node structure, with the main peak on axis, and one or more minor peaks between the electrode center and the edge, contributing to the center-high profile of the plasma density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generation of shock trains in free liquid jets with a nanosecond green laser

Shock wave trains in liquid jets were previously generated only by ablation with femtosecond x-ray lasers. Here we show that shock trains in water microjets can be also generated using nanosecond green laser pulses with 1- to 10-mJ energy. Furthermore, the ablation of 15-, 20-, 30-, and 70-μm water microjets opened a gap in the jets and launched an initial shock wave. Fully developed shock trains were observed in the 30- and 70-μm jets up to 250-ns delays, and these trains were also transmitted inside the nozzles. A few tens of nanoseconds after the pulse, the shock dynamics and its pressure became similar to the ones generated by x-ray lasers, with a more rapid pressure decay in thinner jets. At time delays exceeding 100 ns in the 30-μm jets, the leading shock pressure stabilized to an approximately constant pressure of 40 MPa. The energy density deposited in the jets was estimated at 30 MJ/cm 3 by comparing the jet gaps in the green and x-ray laser experiments, and matched previous estimates for optical ablation in water. Here, the pressure decay in the 30-μm jets was modeled based on the pressure decay observed in x-ray laser experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

The CO Emission in the Taffy Galaxies (UGC 12914/15) at 60 pc Resolution. I. The Battle for Star Formation in the Turbulent Taffy Bridge

We present Atacama Large Millimeter/submillimeter Array observations at a spatial resolution of $0^{"}_{.}2$ (60 pc) of CO emission from the Taffy galaxies (UGC 12914/5). The observations are compared with narrowband Paα, mid-IR, radio continuum and X-ray imaging, plus optical spectroscopy. The galaxies have undergone a recent head-on collision, creating a massive gaseous bridge that is known to be highly turbulent. The bridge contains a complex web of narrow molecular filaments and clumps. The majority of the filaments are devoid of star formation, and fall significantly below the Kennicutt–Schmidt relationship for normal galaxies, especially for the numerous regions undetected in Paα emission. Within the loosely connected filaments and clumps of gas we find regions of high velocity dispersion that appear gravitationally unbound for a wide range of likely values of X CO . Like the "Firecracker" region in the Antennae system, they would require extremely high external dynamical or thermal pressure to stop them dissipating rapidly on short crossing timescales of 2–5 Myr. We suggest that the clouds may be transient structures within a highly turbulent multiphase medium that is strongly suppressing star formation. Despite the overall turbulence in the system, stars seem to have formed in compact hotspots within a kiloparsec-sized extragalactic H ii region, where the molecular gas has a lower velocity dispersion than elsewhere, and shows evidence for a collision with an ionized gas cloud. Like the shocked gas in the Stephan's Quintet group, the conditions in the Taffy bridge shows how difficult it is to form stars within a turbulent, multiphase, gas.

79 ASTRONOMY AND ASTROPHYSICS↗

Supergranulation-driven Alfven waves in the solar chromosphere and related phenomena.

It has recently been recognized that Alfven waves frequently dominate the microstructure of the solar wind at the orbit of the earth. We seek a solar source for these waves, and consider here their excitation by the supergranular motions. The wave equation is solved in a horizontally stratified, bi-exponential solar atmosphere. The interaction of Alfven wave motions associated with adjacent supergranules is discussed qualitatively. The Alfven wave effectively conveys the supergranular motions to great heights in the chromosphere. These motions are oppositely directed above intersupergranule boundaries, and compress the magnetic field there. A naive calculation of the compression, based on balancing dynamic and magnetic pressures, leads to adequate agreement with observations of the chromospheric network. We find that the magnetic field is appreciably compressed only below about 1500 km, and on this basis we reject theories of spicule formation which require large vertical magnetic fields at the heights reached by spicules. We advance a theory for spicule formation, in which spicules form as a result of matter being squeezed upward, out of the compression region between adjacent supergranules.

Hollweg, J. V.↗

Large deflection elastic-plastic dynamic response of stiffened shells of revolution

The formulation and check out porblems for a computer code DYNAPLAS, which analyzes the large deflection elastic-plastic dynamic response of stiffened shells of revolution, are presented. The formulation for special discretization is by the finite element method with finite differences being used for the evaluation of the pseudo forces due to material and geometric nonlinearities. Time integration is by the Houbolt method. The stiffeners may be due to concentrated or distributed eccentric rings and spring supports at arbitrary angles around the circumference of the elements. Check out porblems include the comparison of solutions from DYNAPLAS with experimental and other computer solutions for rings, conical and cylindrical shells and a curved panel. A hypothetical submarine including stiffeners and missile tube is studied under a combination of hydrostatic and dynamically applied asymmetrical pressure loadings.

Stricklin, J. A.↗

Liquid rocket propellant feedline dynamics

An analytical and experimental study of liquid rocket propellant feedline dynamics has been performed. The analytical model, which includes the effects of turbulent flow, distributed and local compliances, bellows, side branches, and structural mounting stiffness, was verified by an experimental program. Water was used as the internal fluid and the dynamic perturbations in pressure and flow were created by a piston pulser. Measurements were made to determine the pressure perturbation amplitude and phase at the line terminal due to a sinusoidal pulser excitation. The frequency response of the various line configurations tested were compared with the computed theoretical results.

Holster, J. L.↗

Large deflection elastic-plastic dynamic response of stiffened shells of revolution

This paper presents the formulation and check-out problems for a computer code DYNAPLAS, which analyzes the large deflection elastic-plastic dynamic response of stiffened shells of revolution. The formulation for spacial discretization is by the finite element method with finite differences being used for the evaluation of the pseudo forces due to material and geometric nonlinearities. Time integration is by the Houbolt method or central differences. The stiffeners may be due to concentrated or distributed eccentric rings and spring supports at arbitrary angles around the circumference of the elements. Check-out problems include the comparison of solutions from DYNAPLAS with experimental and other computer solutions for rings and conical and cylindrical shells. A hypothetical submarine including stiffeners and missile tube is studied under a combination of hydrostatic and dynamically applied asymmetrical pressure loadings.

Stricklin, J. A.↗

Epoxy graphite cell cases

The graphite epoxy cell case and header developed as a means of weight reduction are discussed. Aspects considered include gas permeability, KOH compatibility, pressure and structural dynamic integrity, fiber orientation, fabrication process, cover-to-case sealing, terminal installation and sealing, reproducibility, exposure to the extractable materials that might influence the electrochemical portion of the cell, and electrical conductivity between the terminals.

Bogner, S.↗

Study of utilization of advanced composites in fuselage structures of large transports

The effort required by the transport aircraft manufacturers to support the introduction of advanced composite materials into the fuselage structure of future commercial and military transport aircraft is investigated. Technology issues, potential benefits to military life cycle costs and commercial operating costs, and development plans are examined. The most urgent technology issues defined are impact dynamics, acoustic transmission, pressure containment and damage tolerance, post-buckling, cutouts, and joints and splices. A technology demonstration program is defined and a rough cost and schedule identified. The fabrication and test of a full-scale fuselage barrel section is presented. Commercial and military benefits are identified. Fuselage structure weight savings from use of advanced composites are 16.4 percent for the commercial and 21.8 percent for the military. For the all-composite airplanes the savings are 26 percent and 29 percent, respectively. Commercial/operating costs are reduced by 5 percent for the all-composite airplane and military life cycle costs by 10 percent.

Jackson, A. C.↗

Possible explanations of north-south plasma flow in the outer heliosphere and meridional transport of magnetic flux

Observed meridional plasma flow and its connection with other plasma parameters in the outer heliosphere are discussed. The dynamics of the flow are examined locally and compared with observed plasma parameters and a global flow model which predicts such flows in a steady solar wind. The observational evidence supports stream dynamics and associated pressure gradients as responsible for driving the flow. Such a meridional flow may result in a net transport of magnetic flux from regions near the heliographic equator. The amplitude of the observed meridional component of solar wind flow is consistent with observed magnetic flux deficits in the outer heliosphere. The limited coverage of heliographic latitude by Voyager 2 precludes a direct measurement of the full flow pattern; however, the magnitude of reported magnetic flux deficits and the unambiguous, regular variations in the meridional flow suggest that the stream interactions do produce a net movement of magnetic flux away from the heliographic equator.

Mcnutt, R. L., Jr.↗