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At least 847 records · Page 47

Uncertainty relations as Hilbert space geometry

Precision measurements involve the accurate determination of parameters through repeated measurements of identically prepared experimental setups. For many parameters there is a 'natural' choice for the quantum observable which is expected to give optimal information; and from this observable one can construct an Heinsenberg uncertainty principle (HUP) bound on the precision attainable for the parameter. However, the classical statistics of multiple sampling directly gives us tools to construct bounds for the precision available for the parameters of interest (even when no obvious natural quantum observable exists, such as for phase, or time); it is found that these direct bounds are more restrictive than those of the HUP. The implication is that the natural quantum observables typically do not encode the optimal information (even for observables such as position, and momentum); we show how this can be understood simply in terms of the Hilbert space geometry. Another striking feature of these bounds to parameter uncertainty is that for a large enough number of repetitions of the measurements all V quantum states are 'minimum uncertainty' states - not just Gaussian wave-packets. Thus, these bounds tell us what precision is achievable as well as merely what is allowed.

Braunstein, Samuel L.↗

Optimization of payload mass placement in a dual keel space station

In order to keep a Space Station in a stable low-Earth orbit, angular momentum storage and translational attitude control systems will have to be used. In order to minimize the size of these attitude control systems, the induced gravity gradient torque effects will have to be minimized. This can be done by minimizing the cross-products of inertia of the Station through the management of payload placement with the Station geometry. A derived and automated methodology is presented which utilizes mathematical nonlinear programming techniques. An optimal arrangement of a set of five payloads on a Dual Keel Space Station was found that minimized the cross products of inertia and thus the required controllability resources.

Ferebee, Melvin J., Jr.↗

Random 3D Interpenetrating Electrode Design for Energy Storage Applications

We introduce the concept of random interpenetrating electrode structures, inspired by spinodal decomposition, as a transformative approach for energy storage applications. While ordered architectures, such as double gyroids and Kelvin cell structures, have long been favored for their structural uniformity and surface area utilization, we demonstrate that random structures offer distinct advantages including shorter diffusion pathways, higher packing density, and enhanced reaction kinetics, particularly at low temperatures. Using a combination of computational and electrochemical analysis, we show that random architecture outperforms their ordered counterparts in scenarios where diffusion dominates. This work represents the first systematic exploration of random structures in energy storage, highlighting their potential to overcome limitations of traditional designs. However, challenges such as structural reproducibility and scalability remain, necessitating further investigation into fabrication techniques and material selection. By establishing a framework to optimize random electrode architectures, we provide critical insights into the interplay between geometry, diffusion, and reaction kinetics. This study not only introduces a new design principle for 3D electrodes but also opens pathways for next-generation energy storage systems that demand both high performance and adaptability to a range of operating conditions.

Materials science↗

Predicting the oxidation states of Mn ions in the oxygen-evolving complex of photosystem II using supervised and unsupervised machine learning

Abstract Serial Femtosecond Crystallography at the X-ray Free Electron Laser (XFEL) sources enabled the imaging of the catalytic intermediates of the oxygen evolution reaction of Photosystem II (PSII). However, due to the incoherent transition of the S-states, the resolved structures are a convolution from different catalytic states. Here, we train Decision Tree Classifier and K-means clustering models on Mn compounds obtained from the Cambridge Crystallographic Database to predict the S-state of the X-ray, XFEL, and CryoEM structures by predicting the Mn’s oxidation states in the oxygen-evolving complex. The model agrees mostly with the XFEL structures in the dark S 1 state. However, significant discrepancies are observed for the excited XFEL states (S 2 , S 3, and S 0 ) and the dark states of the X-ray and CryoEM structures. Furthermore, there is a mismatch between the predicted S-states within the two monomers of the same dimer, mainly in the excited states. We validated our model against other metalloenzymes, the valence bond model and the Mn spin densities calculated using density functional theory for two of the mismatched predictions of PSII. The model suggests designing a more optimized sample delivery and illumiation systems are crucial to precisely resolve the geometry of the advanced S-states to overcome the noncoherent S-state transition. In addition, significant radiation damage is observed in X-ray and CryoEM structures, particularly at the dangler Mn center (Mn4). Our model represents a valuable tool for investigating the electronic structure of the catalytic metal cluster of PSII to understand the water splitting mechanism.

Plant Sciences↗

Foundations for high-order, conservative cut-cell methods: Stable discretizations on degenerate meshes

Cut-cell methods for unsteady flow problems can greatly simplify the grid generation process and allow for high-fidelity simulations on complex geometries. However, cut-cell methods have been limited to low orders of accuracy. This is driven, largely, by the variety of procedures typically introduced to evaluate derivatives in a stable manner near the highly irregular embedded geometry. Here, a completely new approach, termed TEMO (truncation error matching and optimization), is taken to solve this problem. The approach is based on two simple and intuitive design principles. These principles directly allow for the construction of stable 8th To the best of the authors' knowledge, these are the highest orders ever achieved for a cut-cell discretization by a significant margin. This is done for both explicit and compact finite differences and is accomplished without any geometric transformations or artificial stabilization procedures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Quantum Monte Carlo Study of the Structural, Energetic, and Magnetic Properties of Two-Dimensional H and T Phase VSe 2

Previous works have controversially claimed near-room-temperature ferromagnetism in two-dimensional (2D) VSe 2 , with conflicting results throughout the literature. These discrepancies in magnetic properties between both phases (T and H) of 2D VSe 2 are most likely due to the structural parameters being coupled to the magnetic properties. Specifically, both phases have a close lattice match and similar total energies, which makes it difficult to determine which phase is being observed experimentally. Here, in this study, we used a combination of density functional theory, highly accurate diffusion Monte Carlo (DMC), and a surrogate Hessian line-search optimization technique to resolve the previously reported discrepancy in structural parameters and relative phase stability. With DMC accuracy, we determined the free-standing geometry of both phases and constructed a phase diagram. Our findings demonstrate the successes of the DMC method coupled with the surrogate Hessian structural optimization technique when applied to a 2D magnetic system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Engineering metal–metal oxide surfaces for high-performance oxygen reduction on Ag–Mn electrocatalysts

Understanding fundamental material–property relationships in mixed-element catalyst systems is crucial to advancing the viability of renewable electrochemical energy technologies, an important part of creating a more sustainable future. Herein, we report our insight on the nature and dynamics of highly active silver–manganese oxide (Ag–MnOx) catalyst surfaces for the oxygen reduction reaction (ORR) via a combined experimental–theoretical approach. Experimentally, we synthesize well-mixed Ag–Mn co-deposited thin films that are measurably flat and smooth, despite Mn surface migration and oxidation upon air exposure and electrochemical measurements. Cyclic voltammetry in 0.1 M KOH demonstrates up to 10-fold specific activity enhancements over pure Ag at 0.8 V vs. RHE for Ag-rich films (70–95% Ag in bulk). To further understand the Ag–Mn system, separate samples were synthesized with small amounts of Mn sequentially deposited onto the surface of a pure Ag thin film (Mn@Ag), ranging from partial to full surface coverage (down to 0.3 nm Mn $cm^{-2}_{geo}$ ~ 0.2 μg Mn $cm^{-2}_{geo}$). These sequentially deposited Mn@Ag films show analogous performance to their co-deposited counterparts indicating similar enhanced active sites. With density functional theory (DFT), we calculate that this enhancement arises from the tuned d-band of these material surfaces owing to the optimal hybridization of the electronic structures in specific Ag and MnO x geometries. Together, electrochemical measurements, DFT calculations, X-ray absorption spectroscopy, and valence-band X-ray photoelectron spectroscopy suggest synergistic electronic interactions between Ag and MnOx yield enhanced oxygen adsorption, and thus ORR activity, with DFT highlighting the Ag–MnO x interface sites as the most enhanced. This work demonstrates how combined experimental–theoretical methods can help design electrocatalysts with enhanced electrocatalytic properties and understand the nature of complex mixed metal–metal oxide surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low-energy ion beam sputtering of polycrystalline diamond

Ion beam milling is a highly versatile and precise technique for the microfabrication of diamond films, enabling controlled material removal at both micrometer and sub-micrometer scales while accommodating complex geometries and surface features. Comprehensive sputtering yield data are essential for process optimization. In this work, we systematically measure the sputter yield of polycrystalline diamond bombarded with $\textrm{N}_2^+$, Ne + , Ar + , Kr + , and Xe + ions over an energy range of 300–900 eV and beam incidence angles of 0°−80°, providing data critical for precision machining applications. Results show that the sputter yield increases with both ion energy and the incidence angle and decreases with increasing ion mass. For $\textrm{N}_2^+$ ions, the sputter yield is largely insensitive to ion energy and exceeds values expected for pure physical sputtering. The concurrent formation of volatile C 2 N 2 molecules during $\textrm{N}_2^+$ ion bombardment suggests that the process is dominated by chemical sputtering. The absence of a peak in the dependence of the sputter yield on the beam incidence angle expected at oblique incidence angles is attributed to the effects of surface roughness.

Materials science↗

A 3D helical filament surrogate model for 3D tokamak equilibria

A novel approach for efficient representation of three-dimensional (3D) tokamak equilibria is investigated, where a set of helical current filaments occupying the plasma region are employed to resolve deviations from the two-dimensional (2D) axi-symmetric state. A discrete set of 3D filaments, located at rational surfaces for a given toroidal mode number n and following the 2D equilibrium field lines (thus forming closed current loops), are found to provide a surrogate model of 3D equilibria with reasonable accuracy. Specifically, application of the filament model to 3D perturbed equilibria, due to the resonant magnetic perturbation (RMP) in DIII-D and MAST-U discharges, reveals that (1) a single helical filament per rational surface is sufficient; (2) 21 such helical filaments are capable of representing the n = 2 3D response field in MAST-U with less than 10% relative error as compared to that computed by a full magnetohydrodynamic code; (3) optimizing currents (both amplitude and phase) flowing in 3D filaments with fixed geometry, the highest accuracy fitting is found to depend on the characteristics of the 3D equilibria such as the coil current phasing of the RMP coils in our case studies. Here, whis filament approach is also applicable for generating surrogate models of other type of 3D tokamak equilibria, including those during the initial phase of the plasma disruption.

MARS-F↗

Development of Solid Synchronous Reluctance Rotors With Multi-Material Additive Manufacturing

Synchronous reluctance (SynR) machines are promising rare-earth material-free alternatives to permanent magnet machines. However, structural challenges limit their operating speed and power density. This paper proposes and investigates multi-material additive manufacturing (MMAM) as a key-enabler to realize power-dense and high-speed SynR machines. It does so by proposing designs that guide magnetic flux through solid rotors realized by selective placement of magnetic and non-magnetic materials. To explore this concept, first, material samples are additively manufactured and experimentally characterized to assess the structural and magnetic properties that can be expected for the proposed rotors. Second, the design space of each rotor type is explored using these measured properties within finite element analysis. The results reveal that MMAM can enable fabrication of SynR motors with power density levels that are at the leading edge of all conventional electric machine topologies. It is shown that tip speeds in excess of 300 m/s can be achieved, resulting in 3-4x improvement in power density over conventional SynR motors. A solid SynR rotor is printed in an experimental MMAM laser powder bed fusion system. The rotor is paired with an existing stator to create a functional SynR motor with a saliency ratio of 2.59 and torque rating of 4.15 Nm. This is the first publication of a SynR rotor prototype constructed via MMAM.

36 MATERIALS SCIENCE↗

A Generalized Stress Inversion Approach With Application to Residual Stress Estimation

In this work develop a generalized stress inversion technique (or the generalized inversion method) capable of recovering stresses in linear elastic bodies subjected to arbitrary cuts. Specifically, given a set of displacement measurements found experimentally from digital image correlation (DIC), we formulate a stress estimation inverse problem as a partial differential equation-constrained optimization problem. We use gradient-based optimization methods, and we accordingly derive the necessary gradient and Hessian information in a matrix-free form to allow for parallel, large-scale operations. By using a combination of finite elements, DIC, and a matrix-free optimization framework, the generalized inversion method can be used on any arbitrary geometry, provided that the DIC camera can view a sufficient part of the surface. We present numerical simulations and experiments, and we demonstrate that the generalized inversion method can be applied to estimate residual stress.

42 ENGINEERING↗

Additive Manufacturing of Porous Ceramics With Foaming Agent

The macro-porous ceramics has promising durability and thermal insulation performance. As porous ceramics find more and more applications across many industries, a cost-effective and scalable additive manufacturing technique for fabricating macro-porous ceramics is highly desirable. Herein, we reported a facile additive manufacturing approach to fabricate porous ceramics and control the printed porosity. Several printable ceramic inks were prepared, and the foaming agent was added to generate gaseous bubbles in the ink, followed by the direct ink writing and the ambient-pressure and room-temperature drying to create the three-dimensional geometries. In this work, a set of experimental studies were performed to optimize the printing quality. The results revealed the optimal process parameters for printing the foamed ceramic ink with a high spatial resolution and fine surface quality. Varying the concentration of the foaming agent enables the controllability of the structural porosity. The maximum porosity can reach 85%, with a crack-free internal porous structure. The tensile tests showed that the printed macro-porous ceramics possessed enhanced durability with the addition of fiber. With a high-fidelity three-dimensional (3D) printing process and the precise controllability of the porosity, we showed that the printed samples exhibited a remarkably low thermal conductivity and durable mechanical strength.

36 MATERIALS SCIENCE↗

Application of polyimide actuator rod seals

Development of polyimide two-stage hydraulic actuator rod seals for application in high-performance aircraft was accomplished. The significant portion of the effort was concentrated on optimization of the chevron and K-section second-stage seal geometries to satisfy the requirements for operation at 450 K (350 F) with dynamic pressure loads varying between 200 psig steady-state and 1500 psig impulse cycling. Particular significance was placed on reducing seal gland dimension by efficiently utilizing the fatigue allowables of polyimide materials. Other objectives included investigation of pressure balancing techniques for first-stage polyimide rod seals for 4000 psig 450 K(350 F) environment and fabrication of a modular retainer for the two-stage combination. Seals were fabricated in 0.0254 m (1.0in.) and 0.0635 m (2.5in.) sizes and tested for structural integrity, frictional resistance, and endurance life. Test results showed that carefully designed second stages using polyimides could be made to satisfy the dynamic return pressure requirements of applications in high-performance aircraft. High wear under full system pressure indicated that further research is necessary to obtain an acceptable first-stage design. The modular retainer was successfully tested and showed potential for new actuator applications.

Watermann, A. W.↗

Five-centimeter diameter ion thruster development

All system components were tested for endurance and steady state and cyclic operation. The following results were obtained: acceleration system (electrostatic type), 3100 hours continuous running; acceleration system (translation type), 2026 hours continuous running; cathode-isolator-vaporizer assembly, 5000 hours continuous operation and 190 restart cycles with 1750 hours operation; mercury expulsion system, 5000 hours continuous running; and neutralizer, 5100 hours continuous operation. The results of component optimization studies such as neutralizer position, neutralizer keeper hole, and screen grid geometry are included. Extensive mapping of the magnet field within and immediately outside the thruster are shown. A technique of electroplating the molybdenum accelerator grid with copper to study erosion patterns is described. Results of tests being conducted to more fully understand the operation of the hollow cathode are also given. This type of 5-cm thruster will be space tested on the Communication Technology Satellite in 1975.

Weigand, A. J.↗

On the dependence of information display quality requirements upon human characteristics and pilot/automatics relations

Present information display concepts for pilot landing guidance are outlined considering manual control as well as substitution of man by fully competent automatics. Display improvements are achieved by compressing the distributed indicators into an accumulative display and thus reducing information scanning. Complete integration of quantitative indications, outer loop information, and real world display in a pictorial information channel geometry constitutes an interface with human ability to differentiate and integrate for optimal manual control of the aircraft.

Wilckens, V.↗

Aerodynamic performance of jet-flap wings

Computer program analyzes performance of jet-flap wings. Fast and easy-to-use prediction technique, it generates accurate solutions for wide range of wing geometries and trailing-edge jet momentum distributions. Analysis is based on optimized vortex-lattice approach and results in rapid convergence of both overall and distributed loadings.

Hough, G. R.↗

Analysis of the harmonic gyrotron traveling wave amplifier

A single nonlinear differential equation is derived for describing the spatial evolution of the wave field in a gyrotron amplifier on the cylindrical guide geometry. The equation is then used to determine the efficiencies and the optimized interaction lengths for gyrotron operated with TE sub N1 modes at the N-th cyclotron harmonic. The equation offers a significant advantage in simplifying numerical work in comparison with the brute force particle simulation approach. The efficiencies of the harmonic operations by using a hollow beam decrease quickly with increasing harmonic number, but are enhanced by using an axis-encircling beam instead.

Kuo, S. P.↗

A viscous-inviscid interaction method for ejectors having two primary jets

A viscous-inviscid interaction methodology is developed for evaluating the performance of two-dimensional incompressible flow ejectors that utilize two primary jets. In this method, the inviscid portion of the flow field, which contains the ambient fluid drawn into the device, is modeled using a higher-order panel method. The viscous region, which contains the turbulent jets, is described by an integral method. The viscous and inviscid solutions are matched together in an iterative process that simulates the interaction between the jets and the ambient fluid. The model is applied to a variety of parametric and optimization studies that illustrate the connection between the details of the ejector geometry and the level of thrust augmentation. The advantages of a dual-jet configuration are assessed through comparison with similar calculations for an otherwise identical single-jet ejector.

Lund, T. S.↗