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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 379 records · Page 21

Combining artificial intelligence and physics-based modeling to directly assess atomic site stabilities: from sub-nanometer clusters to extended surfaces

The performance of functional materials is dictated by chemical and structural properties of individual atomic sites. In catalysts, for instance, the thermodynamic stability of constituting atomic sites is a key descriptor from which more complex properties, such as molecular adsorption energies and reaction rates, can be derived. In this study, we present a widely applicable machine learning (ML) approach to instantaneously compute the stability of individual atomic sites in structurally and electronically complex nano-materials. Conventionally, we determine such site stabilities using computationally intensive first-principles calculations. With our approach, we predict the stability of atomic sites in sub-nanometer metal clusters of 3–55 atoms with mean absolute errors in the range of 0.11–0.14 eV. To extract physical insights from the ML model, we introduce a genetic algorithm (GA) for feature selection. This algorithm distills the key structural and chemical properties governing the stability of atomic sites in size-selected nanoparticles, allowing for physical interpretability of the models and revealing structure–property relationships. The results of the GA are generally model and materials specific. In the limit of large nanoparticles, the GA identifies features consistent with physics-based models for metal–metal interactions. By combining the ML model with the physics-based model, we predict atomic site stabilities in real time for structures ranging from sub-nanometer metal clusters (3–55 atom) to larger nanoparticles (147 to 309 atoms) to extended surfaces using a physically interpretable framework. Finally, we present a proof of principle showcasing how our approach can determine stable and active nanocatalysts across a generic materials space of structure and composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wetted-foam target stability for laser-direct-drive inertial confinement fusion

Using highly resolved three-dimensional radiation-hydrodynamic simulations, the effects of wetted-foam (WF) ablators in direct-drive inertial confinement fusion cryogenic implosions on the OMEGA laser were investigated. The performance of these implosions was compared with that of implosions using targets with solid-plastic ablators. Simulations considering WF ablators as a homogeneous material show no mitigation of the effects of laser imprint, where the absence of this mitigation can be attributed to the use of picket pulses. Heterogeneous random-structure WF ablators introduce large short-wavelength perturbations, which are seeded by WF inhomogeneities. These perturbations exceed the perturbations seeded by the imprint and cause an additional reduction in implosion performance when the average pore size in the WF exceeds ~0.2 μm. Foam-seeded perturbations are expected to be less damaging in more stable high-adiabat (⁠ ≳ 5⁠) implosions. Here, the perturbations introduced by the WF ablators can be substantially reduced by using a foam matrix with a layered structure instead of a random one. Further study of the effects of WFs in ignition designs of the MJ laser energy scale is required in the perspective of future inertial fusion energy mass production.

Igumenshchev, I. V. [University of Rochester, NY (↗

Effects of fuselage forebody geometry on low-speed lateral-directional characteristics of twin-tail fighter model at high angles of attack

Low-speed, static wind-tunnel tests were conducted to explore the effects of fighter fuselage forebody geometry on lateral-directional characteristics at high angles of attack and to provide data for general design procedures. Effects of eight different forebody configurations and several add-on devices (e.g., nose strakes, boundary-layer trip wires, and nose booms) were investigated. Tests showed that forebody design features such as fineness ratio, cross-sectional shape, and add-on devices can have a significant influence on both lateral-directional and longitudinal aerodynamic stability. Several of the forebodies produced both lateral-directional symmetry and strong favorable changes in lateral-directional stability. However, the same results also indicated that such forebody designs can produce significant reductions in longitudinal stability near maximum lift and can significantly change the influence of other configuration variables. The addition of devices to highly tailored forebody designs also can significantly degrade the stability improvements provided by the clean forebody.

Carr, P. C.↗

Rolling flow wind tunnel tests of F-18 aircraft

The lateral directional characteristics of an F-18 aircraft was investigated. Aerodynamic derivatives associated with pure roll rate, or the 'p' derivatives were obtained. The model is described and the procedures used to obtain and correct the data, and a graphical presentation of the results are presented. These results include graphs of the lateral directional static stability derivatives versus angle of attack, and the lateral directional force and moment coefficients versus nondimensional roll rate. Results are presented for several configurations including complete, complete without vertical tails, complete without horizontal tails, fuselage wing and fuselage alone. Each of these configuations was tested with and without wing leading edge extensions. The basic control surfaces were deflected and the results were investigated.

Lutze, F. H.↗

Synthetic Control of Water-Stable Hybrid Perovskitoid Semiconductors

Hybrid metal-halide perovskites and their derived materials have emerged as the next-generation semiconductors with a wide range of applications, including photovoltaics, light-emitting devices, and other optoelectronics. Over the past decade, numerous single-crystalline perovskite derivatives have been synthesized and developed. However, the synthetic methods for these derivatives mainly rely on acidic crystallization conditions. This approach leads to crystals comprising metal halide building blocks, which show problematic stability when directly exposed to water. In this study, a methodology is developed for synthesizing hybrid metal-halide compounds using lead iodide and the zwitterionic bifunctional molecule cysteamine (CYS), to form various perovskitoid structures under a broad pH range. Interestingly, the different pH conditions alter the coordination environment of lead halides, leading to lead-sulfide and lead-nitride covalent bond formation. This modification significantly enhances their stability when in direct contact with water, lasting for months. Photoluminescence measurements and first principal density functional theory (DFT) calculations reveal that the perovskitoids synthesized under basic and acidic pH conditions exhibit a direct bandgap nature, while those synthesized under neutral conditions display an indirect bandgap. This approach opens new avenues for manipulating synthetic methods to develop water-stable hybrid semiconductors suitable for a wide range of applications, such as solid-state light emitters.

36 MATERIALS SCIENCE↗

Stability of stationary barotropic modons by Lyapunov's direct method

A new Liapunov stability condition is formulated for the shallow-water equations, using a gage-variable formalism. This sufficient condition is derived for the class of perturbations that conserve the total mass. It is weaker than existing stability criteria, i.e., it applies to a wider class of flows. Formal stability to infinitesimally small perturbations of arbitrary shape is obtained for two classes of large-scale geophysical flows: pseudo-eastward flow with constant shear, and localized coherent structures of modon type.

Sakuma, H.↗

An efficient procedure for cascade aeroelastic stability determination using nonlinear, time-marching aerodynamic solvers

A numerical eigenvalue problem formulation and a practical calculation procedure for exact eigenvalues and corresponding eigenvectors are developed and applied to a nonlinear, two-dimensional, time-marching full potential solver for cascade aeroelastic stability analysis. This procedure is based on the Lanczos recursive method and it directly calculates stability information about a nonlinear steady state. It is compared to conventional approaches in the frequency and time domains developed earlier and is found to be 100-10.000 times more computationally efficient. Eigenvalue constellations and the flutter results for flow through a cascade SR5 propfan airfoil are presented.

Mahajan, Aparajit J.↗

Aerodynamic Characteristics of a Refined Deep-step Planing-tail Flying-boat Hull with Various Forebody and Afterbody Shapes

An investigation was made in the Langley 300-mph 7- by 10-foot tunnel to determine the aerodynamic characteristics of a refined deep-step planing-tail hull with various forebody and afterbody shapes and, for comparison, a streamline body simulating the fuselage of a modern transport airplane. The results of the tests indicated that the configurations incorporating a forebody with a length-beam ratio of 7 had lower minimum drag coefficients than the configurations incorporating a forebody with length-beam ratio of 5. The lowest minimum drag coefficients, which were considerably less than that of a conventional hull and slightly less than that of a streamline body, were obtained on the length-beam-ratio-7 forebody, alone and with round center boom. Drag coefficients and longitudinal- and lateral-stability parameters presented include the interference of a 21-percent-thick support wing.

SEAPLANES - GENERAL STUDIES↗

Dimensional stability of curved panels with cocured stiffeners and cobonded frames

Closed form and finite element analyses are presented for axial direction and transverse direction dimensional stability of skin/stringer panels. Several sensitivity studies are presented to illustrate the influence of various design parameters on the dimensional stability of these panels. Panel geometry, material properties (stiffness and coefficient of thermal expansion), restraint conditions and local details, such as resin fillets, all combine to influence dimensional stability, residual and assembly forces.

Mabson, G. E.↗