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At least 145 records · Page 8

Catalytic Resonance Theory: The Catalytic Mechanics of Programmable Ratchets

Catalytic reaction networks of multiple elementary steps operating under dynamic conditions via a programmed input oscillation are difficult to interpret and optimize due to reaction system complexity. To understand these dynamic systems, individual elementary catalytic reactions oscillating between catalyst states were evaluated to identify their three fundamental characteristics that define their ability to promote reactions away from equilibrium. First, elementary catalytic reactions exhibit directionality to promote reactions forward or backward from equilibrium as determined by a ratchet directionality metric comprised of the input oscillation duty cycle and the reaction rate constants. Second, catalytic ratchets are defined by the catalyst state of strong or weak binding that permit reactants to proceed through the transition state. Third, elementary catalytic ratchets exhibit a cutoff frequency which defines the transition in applied frequency for which the catalytic ratchet functions to promote chemistry away from equilibrium. All three ratchet characteristics are calculated from chemical reaction parameters including rate constants derived from linear scaling parameters, reaction conditions, and catalyst state. The characteristics of the reaction network’s constituent elementary catalytic reactions provided an interpretation of complex reaction networks and a method of predicting the behavior of dynamic surface chemistry on oscillating catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Experimental and analytical studies of advanced air cushion landing systems

Several concepts are developed for air cushion landing systems (ACLS) which have the potential for improving performance characteristics (roll stiffness, heave damping, and trunk flutter), and reducing fabrication cost and complexity. After an initial screening, the following five concepts were evaluated in detail: damped trunk, filled trunk, compartmented trunk, segmented trunk, and roll feedback control. The evaluation was based on tests performed on scale models. An ACLS dynamic simulation developed earlier is updated so that it can be used to predict the performance of full-scale ACLS incorporating these refinements. The simulation was validated through scale-model tests. A full-scale ACLS based on the segmented trunk concept was fabricated and installed on the NASA ACLS test vehicle, where it is used to support advanced system development. A geometrically-scaled model (one third full scale) of the NASA test vehicle was fabricated and tested. This model, evaluated by means of a series of static and dynamic tests, is used to investigate scaling relationships between reduced and full-scale models. The analytical model developed earlier is applied to simulate both the one third scale and the full scale response.

Lee, E. G. S.

Unitary Qubit Lattice Algorithms for Plasma Physics

This final technical report summarizes research conducted under DOE Award DE-SC0021653 to develop unitary Quantum Lattice Algorithms for modeling electromagnetic wave propagation and scattering in complex media, including plasmas. The project developed and validated quantum-inspired formulations of Maxwell's equations that preserve unitary evolution and can be evaluated on classical high-performance computing systems while providing a foundation for future quantum-computing implementations. Major accomplishments include the development of two- and three-dimensional algorithms for electromagnetic scattering; scalable, distributed-memory implementations demonstrated on the Perlmutter supercomputer; formulations for nonlinear lossless fluid dynamics and cold, lossless, inhomogeneous magnetized plasmas; and an explicit quantum algorithm for a time-discretized Lorenz model. Simulations reproduced a range of characteristic wave phenomena, including transient effects that are not readily apparent in conventional frequency-domain studies, demonstrating the effectiveness of the proposed approach for modeling complex electromagnetic and plasma systems. The work establishes a unified theoretical and computational framework for quantum and quantum-inspired simulation and provides a foundation for future implementation on fault-tolerant quantum systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Tholins as Coloring Agents on Solar System Bodies

Pre-biotic organic materials appear to be common on many small bodies in the outer Solar System, as evidenced by the color properties of these objects. We report on our continuing study of color properties in connection with the presence of complex organic solids (tholins) among the planets and their satellites, the asteroids, and the trans- Neptunian objects (Kuiper Belt objects). Most small, icy bodies in the Solar System, whether they have high or low surface reflectance (albedo), show a pronounced downward slope in reflectance at wavelengths shorter than approx. 1 micron. This increasing absorption of sunlight toward shorter wavelengths is characteristic of pi-bonds in hydrocarbons having chains or rings of conjugated C atoms. Tholins, which contain polycyclic aromatic and aliphatic hydrocarbons, exhibit these color properties. Using the complex refractive indices of tholins in models of the reflectance spectra of icy bodies in the Solar System, we find that these complex organic materials satisfactorily account for the coloration so widely observed. The new results presented here show that the wide variety of colors of Kuiper Belt objects can be fit very well with tholins, as can the colors of Pluto and Triton. The implications of these fits of Kuiper Belt objects is that complex organic material is created on their surfaces by energetic particle bombardment of native ices, and also may be accreted from external sources. In the cases of Pluto and Triton, photochemistry of their weak N2 + CH4 + CO atmospheres produces complex organic molecules that precipitate to the surface, providing local color.

Cruikshank, D. P.

Data-driven emulation of modal aerosol microphysics via neural operator-based modeling

The complexity and the small characteristic scales of aerosol microphysical processes pose a big challenge for accurate and efficient Earth system simulations at regional and global scales. In this work, we construct and evaluate a surrogate model: the aerosol deep operator network (ADON), a physics-inspired dual-net architecture for emulating the aerosol microphysics parameterization suite in the version 2 of the Energy Earth System Model (E3SMv2). The current version of the surrogate model is trained on a dataset comprising 9.8 million samples obtained from a global E3SMv2 simulation with the horizontal resolution of about one degree under cloud-free conditions. Incorporating domain spatial and temporal coordinates, as well as principle components extracted from training data, the dual-net surrogate model effectively captures the intricate representations of aerosol and the relationship with atmospheric state variables, achieving an R-squared score over $$95.7\%$$ for all the lognormal aerosol modes in the extrapolated regime. The validated model provides feature importance of input variables and their impact on the predictive capacity of the surrogate model in relation to the E3SM. The computational cost of online inference time deployed on CPUs and GPUs with lower precisions highlights ADON’s efficiency and potential in robust predictive modeling for large-scale Earth system computations.

Bai, Zhe

Aerodynamics of an airfoil with a jet issuing from its surface

A simple, two dimensional, incompressible and inviscid model for the problem posed by a two dimensional wing with a jet issuing from its lower surface is considered and a parametric analysis is carried out to observe how the aerodynamic characteristics depend on the different parameters. The mathematical problem constitutes a boundary value problem where the position of part of the boundary is not known a priori. A nonlinear optimization approach was used to solve the problem, and the analysis reveals interesting characteristics that may help to better understand the physics involved in more complex situations in connection with high lift systems.

Tavella, D. A.

Image-Processing Software For A Hypercube Computer

Concurrent Image Processing Executive (CIPE) is software system intended to develop and use image-processing application programs on concurrent computing environment. Designed to shield programmer from complexities of concurrent-system architecture, it provides interactive image-processing environment for end user. CIPE utilizes architectural characteristics of particular concurrent system to maximize efficiency while preserving architectural independence from user and programmer. CIPE runs on Mark-IIIfp 8-node hypercube computer and associated SUN-4 host computer.

Lee, Meemong

Numerical solution of the two-dimensional Euler equations by second-order upwind difference schemes

Two time-level, five-point explicit and implicit upwind difference schemes based on the characteristic flux difference splitting concept have been developed for the two-dimensional Euler equations. The method is conservative, second-order accurate in time and space, and general coordinate systems are used to treat complex geometries. Nonlinear flux limiters are employed to yield oscillation free sharp shock profiles. Upstream interpolation is used to yield a class of higher-order upwind schemes which closely mimic the locally one-dimensional method of characteristics (with fixed time intervals) through operator splitting. Numerical results have been obtained for a plane shock reflection and for flow over a circular arc in a channel. Characteristics of upwind TVD schemes, as applied to two-dimensional flows with embedded shocks are discussed.

Yang, J. Y.

Emergence of complex-regular eutectic patterns in Al–Ge: Observations from correlative nano-imaging

Eutectic solidification exemplifies nonequilibrium pattern formation, making it a well-studied moving boundary problem. Yet the mechanisms behind the formation of complex-regular microstructures – particularly in highly anisotropic systems with a significant volume fraction of a faceted phase – remain poorly understood. Our understanding of such systems is made complicated by the nonlinear interface kinetics and unique growth dynamics characteristic of faceted phases. To address these challenges, we investigate a model Al–Ge eutectic system, where the faceted Ge phase constitutes a substantial volume fraction (~0.35) and where the two solid phases arrange into so-called “fishbone” or “feather” complex-regular patterns. Using synchrotron-based x-ray nano-imaging and nanotomography with high spatial resolution (22 nm per pixel), we capture in real-time the evolution of the solid–liquid interfaces and the resulting three-dimensional microstructures in this faceted/non-faceted eutectic system. By integrating these observations with electron backscattered diffraction, we elucidate the crystallographic biases on the solidification process and the mechanisms driving the formation of such complex-regular microstructures. These findings inform a new growth model for irregular eutectics in (near-)symmetrical phase diagrams, offering insight on advanced microstructural design and processing strategies. More broadly, we demonstrate how interfacial curvature is generated in irregular eutectic alloys and how it depends on the volume fraction of the faceted phase.

36 MATERIALS SCIENCE

Surface deformation coupled with self-organized pattern on a liquid anode of 1 atm DC glow discharge

Intricate, self-organized plasma structures observed above the surface of a liquid anode of atmospheric DC glow discharge were found to give rise to coherent, organized surface deformation and mechanical wave formation at the plasma–liquid interface. This new phenomenon indicates that the liquid is closely coupled to the plasma by the anode sheath’s electrohydrodynamic (EHD) force. A scientific question then arises: Do surface perturbations, coupled with the nonuniform surface charge distribution, enhance the electric field and induce self-organization? Using the reflective background-oriented schlieren technique, the liquid surface profile under the plasma pattern was measured for the first time. The results show that surface distortions are driven by the repulsive Coulomb force of nonuniform net-negative surface charge acted by the anode sheath field. The impacts of various operating parameters on the patterns and surface waves were examined, revealing the significance of gas heating and liquid charge relaxation time in the pattern formation mechanism. Time-resolved dynamics of a pulsed DC discharge indicated that the surface deformation only appeared after the establishment of plasma patterns. Statistically, the surface wave under the plasma has high wave numbers (8000–16000 m −1 ) and small amplitudes ($<$ 10 µm), generally found in the capillary wave regime. Yet the motion of surface deformations is in tandem with the plasma pattern and exhibits a nondispersive nature of constant phase velocity (0.1–0.4 m s −1 ), suggesting the dominant role of EHD force over the surface tension in the observed surface wave. These results indicate that the deformed liquid surface is driven by the EHD force of the plasma sheath. Although they share a similar geometry, the deformation and wave dynamics of the liquid surface do not stimulate a plasma pattern. Importantly, the complex EHD coupling in the plasma–liquid system raises awareness and new challenges for plasma control engineering, and the quantitative characteristics of the nondispersive surface wave are informative for advancing relevant theory and modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Crosstalk cancellation on linearly and circularly polarized communications satellite links

The paper discusses the cancellation network approach for reducing crosstalk caused by depolarization on a dual-polarized communications satellite link. If the characteristics of rain depolarization are sufficiently well known, the cancellation network can be designed in a way that reduces system complexity, the most important parameter being the phase of the cross-polarized signal. Relevant theoretical calculations and experimental data are presented. The simplicity of the cancellation system proposed makes it ideal for use with small domestic or private earth terminals.

Overstreet, W. P.

A Procedure for the Design of Air-Heated Ice-Prevention Systems

A procedure proposed for use in the design of air-heated systems for the continuous prevention of ice formation on airplane components is set forth. Required heat-transfer and air-pressure-loss equations are presented, and methods of selecting appropriate meteorological conditions for flight over specified geographical areas and for the calculation of water-drop-impingement characteristics are suggested. In order to facilitate the design, a simple electrical analogue was devised which solves the complex heat-transfer relationships existing in the thermal-system analysis. The analogue is described and an illustration of its application to design is given.

Neel, C. B.

An Overdetermined System for Improved Autocorrelation Based Spectral Moment Estimator Performance

Autocorrelation based spectral moment estimators are typically derived using the Fourier transform relationship between the power spectrum and the autocorrelation function along with using either an assumed form of the autocorrelation function, e.g., Gaussian, or a generic complex form and applying properties of the characteristic function. Passarelli has used a series expansion of the general complex autocorrelation function and has expressed the coefficients in terms of central moments of the power spectrum. A truncation of this series will produce a closed system of equations which can be solved for the central moments of interest. The autocorrelation function at various lags is estimated from samples of the random process under observation. These estimates themselves are random variables and exhibit a bias and variance that is a function of the number of samples used in the estimates and the operational signal-to-noise ratio. This contributes to a degradation in performance of the moment estimators. This dissertation investigates the use autocorrelation function estimates at higher order lags to reduce the bias and standard deviation in spectral moment estimates. In particular, Passarelli's series expansion is cast in terms of an overdetermined system to form a framework under which the application of additional autocorrelation function estimates at higher order lags can be defined and assessed. The solution of the overdetermined system is the least squares solution. Furthermore, an overdetermined system can be solved for any moment or moments of interest and is not tied to a particular form of the power spectrum or corresponding autocorrelation function. As an application of this approach, autocorrelation based variance estimators are defined by a truncation of Passarelli's series expansion and applied to simulated Doppler weather radar returns which are characterized by a Gaussian shaped power spectrum. The performance of the variance estimators determined from a closed system is shown to improve through the application of additional autocorrelation lags in an overdetermined system. This improvement is greater in the narrowband spectrum region where the information is spread over more lags of the autocorrelation function. The number of lags needed in the overdetermined system is a function of the spectral width, the number of terms in the series expansion, the number of samples used in estimating the autocorrelation function, and the signal-to-noise ratio. The overdetermined system provides a robustness to the chosen variance estimator by expanding the region of spectral widths and signal-to-noise ratios over which the estimator can perform as compared to the closed system.

Keel, Byron M.

Tri-Gas Pressurization System Testing and Modeling for Cryogenic Applications

The use of Tri‐gas in rocket propulsion systems is somewhat of a new technology. This paper defines Tri‐gas as a mixture of gases composed largely of helium with a small percentage of a stoichiometric mixture of hydrogen and oxygen. When exposed to a catalyst the hydrogen and oxygen in the mixture combusts, significantly raising the temperature of the mixture. The increase in enthalpy resulting from the combustion process significantly decreases the required quantity of gas needed to pressurize the ullage of the vehicle propellant tanks. The objective of this effort was to better understand the operating characteristics of Tri‐gas in a pressurization system with low temperature applications. In conjunction with ongoing programs at NASA Marshall Space Flight Center, an effort has been undertaken to evaluate the operating characteristics of Tri‐gas through modeling and bench testing. Through improved understanding of the operating characteristics, the risk of using this new technology in a launch vehicle propulsion system was reduced. Bench testing of Tri‐gas was a multistep process that targeted gas characteristics and performance aspects that pose a risk to application in a pressurization system. Pressurization systems are vital to propulsion system performance. Keeping a target ullage pressure in propulsions tanks is necessary to supply propellant at the conditions and flow rates required to maintain desired engine functionality. The first component of testing consisted of sampling Tri‐gas sources that had been stagnant for various lengths of time in order to determine the rate at which stratification takes place. Second, a bench test was set up in which Tri‐gas was sent through a catalyst bed. This test was designed to evaluate the performance characteristics of Tri‐gas, under low temperature inlet temperatures, in a flight‐like catalyst bed reactor. The third, most complex, test examined the performance characteristics of Tri‐gas at low temperature temperatures in a test configuration built to more closely resemble a vehicle pressurization system. The results of these bench tests address various risks that all relate to underperformance of Tri‐gas pressurization systems.

Taylor, B.

Robust Interpretation of Electrochemical Impedance Spectra Using Numerical Complex Analysis

Electrochemical Impedance Spectroscopy (EIS) is a noninvasive technique widely used for understanding charge transfer and charge transport processes in electrochemical systems and devices. Standard approaches for the interpretation of EIS data involve starting with a hypothetical circuit model for the physical processes in the device based on experience/intuition and then fitting the EIS data to this circuit model. This work explores a mathematical approach for extracting key characteristic features from EIS data by relying on fundamental principles of complex analysis. These characteristic features can suggest the presence of inductors and constant phase elements (nonideal capacitors) from impedance data and enable us to answer questions about the identifiability and nonuniqueness of equivalent circuit models. In certain scenarios such as models with only resistors and capacitors, we are able to enumerate all possible families of circuit models. Finally, we apply the mathematical framework presented here to real-world electrochemical systems and highlight results using impedance measurements from a lithium-ion battery coin cell.

charge transfer

Analysis of Complex Valve and Feed Systems

A numerical framework for analysis of complex valve systems supports testing of propulsive systems by simulating key valve and control system components in the test loop. In particular, it is designed to enhance the analysis capability in terms of identifying system transients and quantifying the valve response to these transients. This system has analysis capability for simulating valve motion in complex systems operating in diverse flow regimes ranging from compressible gases to cryogenic liquids. A key feature is the hybrid, unstructured framework with sub-models for grid movement and phase change including cryogenic cavitations. The multi-element unstructured framework offers improved predictions of valve performance characteristics under steady conditions for structurally complex valves such as pressure regulator valve. Unsteady simulations of valve motion using this computational approach have been carried out for various valves in operation at Stennis Space Center such as the split-body valve and the 10-in. (approx.25.4-cm) LOX (liquid oxygen) valve and the 4-in. (approx.10 cm) Y-pattern valve (liquid nitrogen). Such simulations make use of variable grid topologies, thereby permitting solution accuracy and resolving important flow physics in the seat region of the moving valve. An advantage to this software includes possible reduction in testing costs incurred due to disruptions relating to unexpected flow transients or functioning of valve/flow control systems. Prediction of the flow anomalies leading to system vibrations, flow resonance, and valve stall can help in valve scheduling and significantly reduce the need for activation tests. This framework has been evaluated for its ability to predict performance metrics like flow coefficient for cavitating venturis and valve coefficient curves, and could be a valuable tool in predicting and understanding anomalous behavior of system components at rocket propulsion testing and design sites.

Ahuja, Vineet

Anisotropic magnetism of polymorphic ErAl 3

ErAl 3 can form in either a trigonal (α) or cubic (β) polymorph and this paper investigates the physical properties of these polymorphs through characterizations of single crystals grown in an aluminum flux. Here, we demonstrate that polymorph selection can be achieved based on the nominal composition of the crystal growth. Magnetic measurements confirm that both β-ErAl 3 and α-ErAl 3 order antiferromagnetically at low temperatures. β-ErAl 3 undergoes antiferromagnetic ordering at a Néel temperature T N = 5.1 K, and the transition is suppressed continually with applied field. α-ErAl 3 displays more complex behavior, with successive magnetic transitions at T N = 5.7 K and T 2 = 4.6 K for zero field, where heat capacity and dilatometry measurements evidence that these transitions are second and first order, respectively. Under magnetic field, strong anisotropy is revealed in α-ErAl 3 , with several steplike metamagnetic transitions observed below T 2 for H ∥ c. These transitions produce sequential magnetization plateaus near one-half of the apparent saturation magnetization. The electrical resistivity of α-ErAl 3 is strongly coupled to its magnetism. At T = 2 K, we observe a positive magnetoresistance reaching 60%, with distinct anomalies at the metamagnetic transitions. The results are summarized in H-T phase diagrams that demonstrate complex magnetic behavior for α-ErAl 3 , suggesting an important role of competing interactions in this metallic system that possesses characteristics of Ising physics.

36 MATERIALS SCIENCE

Fire hazard considerations for composites in vehicle design

Military ground vehicles fires are a significant cause of system loss, equipment damage, and crew injury in both combat and non-combat situations. During combat, the ability to successfully fight an internal fire, without losing fighting and mobility capabilities, is often the key to crew survival and mission success. In addition to enemy hits in combat, vehicle fires are initiated by electrical system failures, fuel line leaks, munitions mishaps and improper personnel actions. If not controlled, such fires can spread to other areas of the vehicle, causing extensive damage and the potential for personnel injury and death. The inherent fire safety characteristics (i.e. ignitability, compartments of these vehicles play a major roll in determining rather a newly started fire becomes a fizzle or a catastrophe. This paper addresses a systems approach to assuring optimum vehicle fire safety during the design phase of complex vehicle systems utilizing extensive uses of composites, plastic and related materials. It provides practical means for defining the potential fire hazard risks during a conceptual design phase, and criteria for the selection of composite materials based on its fire safety characteristics.

Gordon, Rex B.