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At least 775 records · Page 43

Equivalent Skin Analysis of Wing Structures Using Neural Networks

An efficient method of modeling trapezoidal built-up wing structures is developed by coupling. in an indirect way, an Equivalent Plate Analysis (EPA) with Neural Networks (NN). Being assumed to behave like a Mindlin-plate, the wing is solved using the Ritz method with Legendre polynomials employed as the trial functions. This analysis method can be made more efficient by avoiding most of the computational effort spent on calculating contributions to the stiffness and mass matrices from each spar and rib. This is accomplished by replacing the wing inner-structure with an "equivalent" material that combines to the skin and whose properties are simulated by neural networks. The constitutive matrix, which relates the stress vector to the strain vector, and the density of the equivalent material are obtained by enforcing mass and stiffness matrix equities with rec,ard to the EPA in a least-square sense. Neural networks for the material properties are trained in terms of the design variables of the wing structure. Examples show that the present method, which can be called an Equivalent Skin Analysis (ESA) of the wing structure, is more efficient than the EPA and still fairly good results can be obtained. The present ESA is very promising to be used at the early stages of wing structure design.

Liu, Youhua↗

Broken Ergodicity in MHD Turbulence

Ideal magnetohydrodynamic (MHD) turbulence may be represented by finite Fourier series, where the inherent periodic box serves as a surrogate for a bounded astrophysical plasma. Independent Fourier coefficients form a canonical ensemble described by a Gaussian probability density function containing a Hermitian covariance matrix with positive eigenvalues. The eigenvalues at lowest wave number can be very small, resulting in a large-scale coherent structure: a turbulent dynamo. This is seen in computations and a theoretical explanation in terms of 'broken ergodicity' contains Taylor s theory of force-free states. An important problem for future work is the case of real, i.e., dissipative flows. In real flows, broken ergodicity and coherent structure are still expected to occur in MHD turbulence at the largest scale, as suggested by low resolution simulations. One challenge is to incorporate coherent structure at the largest scale into the theory of turbulent fluctuations at smaller scales.

Shebalin, John V.↗

Growth of Matrix Cracks During Intermediate Temperature Stress Rupture of a SiC/SiC Composite in Air

The crack density of woven Hi-Nicalon(sup TM) (Nippon Carbon, Japan) fiber, BN interphase, melt-infiltrated SiC matrix composites was determined for specimens subjected to tensile stress rupture at 815 C. A significant amount of matrix cracking occurs due to the growth of fiber-bridged microcracks even at stresses below the run-out condition. This increased cracking corresponded to time dependent strain accumulation and acoustic emission activity during the constant load test. However, the portion of the rupture specimens subjected to cooler temperatures (< 600 C than the hot section had significantly lower crack densities compared to the hotter regions. From the acoustic emission and time dependent strain data it can be inferred that most of the matrix crack growth occurred within the first few hours of the tensile rupture experiment. The crack growth was attributed to an interphase recession mechanism that is enhanced by the presence of a thin carbon layer between the fiber and the matrix as a result of the composite fabrication process. One important consequence of matrix crack growth at the lower stresses is poor retained strength at room temperature for specimens that did not fail.

Morscher, Gregory N.↗

RASPA3

RASPA3, a molecular simulation code for computing adsorption and diffusion in nanoporous materials and thermodynamic and transport properties of fluids. It implements force field based classical Monte Carlo/molecular dynamics in various ensembles. RASPA3 is rewritten from the ground up in C++23 with speed and code readability in mind. Transition-matrix Monte Carlo is added to compute the density of states and free energies. The Monte Carlo code for rigid molecules is based on quaternions, and the atomic positions needed in the energy evaluation are recreated from the center of mass position and quaternion orientation. The expanded ensemble methodology for fractional molecules, with a scaling parameter λ between 0 and 1, now also keeps track of analytic expressions of dU/dλ, allowing independent verification of the chemical potential using thermodynamic integration. The source code is freely available under the MIT license on GitHub.

Dubbeldam, David↗

The density of apical cells of dark-grown protonemata of the moss Ceratodon purpureus

Determinations of plant or algal cell density (cell mass divided by volume) have rarely accounted for the extracellular matrix or shrinkage during isolation. Three techniques were used to indirectly estimate the density of intact apical cells from protonemata of the moss Ceratodon purpureus. First, the volume fraction of each cell component was determined by stereology, and published values for component density were used to extrapolate to the entire cell. Second, protonemal tips were immersed in bovine serum albumin solutions of different densities, and then the equilibrium density was corrected for the mass of the cell wall. Third, apical cell protoplasts were centrifuged in low-osmolarity gradients, and values were corrected for shrinkage during protoplast isolation. Values from centrifugation (1.004 to 1.015 g/cm3) were considerably lower than from other methods (1.046 to 1.085 g/cm3). This work appears to provide the first corrected estimates of the density of any plant cell. It also documents a method for the isolation of protoplasts specifically from apical cells of protonemal filaments.

NASA Discipline Plant Biology↗

Matrix cracking in laminated composites under monotonic and cyclic loadings

An analytical model based on the internal state variable (ISV) concept and the strain energy method is proposed for characterizing the monotonic and cyclic response of laminated composites containing matrix cracks. A modified constitution is formulated for angle-ply laminates under general in-plane mechanical loading and constant temperature change. A monotonic matrix cracking criterion is developed for predicting the crack density in cross-ply laminates as a function of the applied laminate axial stress. An initial formulation for a cyclic matrix cracking criterion for cross-ply laminates is also discussed. For the monotonic loading case, a number of experimental data and well-known models are compared with the present study for validating the practical applicability of the ISV approach.

Allen, David H.↗

Development of Flexible Energy Storage Device for Wearable Electronics using All-organic Composites

As the demands and applications of wearable electronics increase, the need of power supply for wearable electronics becomes the critical issue. Both batteries and capacitors can be used as power supplier. In terms of energy storage device, capacitors have many advantages over the batteries, but have a lower energy storage density. To improve the energy density, composites, in which inorganic particles are embedded in a polymer matrix, have been identified as a promising approach to create the dielectrics with a higher energy storage density. The physics behind the composite approach is that the inorganics have a higher dielectric constant and polymers can stand with a higher electric field so that the composites can exhibit a relative dielectric constant and stand with a relative electric field. Therefore, the composites can exhibit a higher energy storage density. However, the embedment of inorganic particles into polymer severely reduces the flexibility of the polymer. To develop flexible energy storage ultracapacitors as an energy storage device for wearable electronics, an all-organic composite approach, in which a dielectric polymer is mixed with polar organic molecules, is introduced. It is experimentally found that by adding a small amount of polar organic molecules into dielectric polymers, the polymers exhibits a high dielectric constant and can stand with a higher electric field. More importantly, the flexibility of the all-organic composites is better than the polymer matrix. Therefore, the all-organic composites can be a strong and promising candidate for the development of flexible energy storage devices for the wearable electronics. In this study, three different dielectric polymers and three different polar molecules were studied. All the all-organic composite systems exhibit a significant improvement on the energy storage density. These new flexible energy storage devices are being developed to be fabricated with on-demandadditive electronics manufacturing processes, so that they can be fabricated when needed in space on the International Space Station and planned lunar habitat and other future missions. These flexible energy storage devices will provide the storage in concert with other printed power generation devices to allow crew health and structural health monitoring sensor devices and systems to be self-powered, not requiring any external power or batteries.

energy storage↗

A design of experiments test to define critical spray cleaning parameters for Brulin 815 GD and Jettacin cleaners

Experimental design testing was conducted to identify critical parameters of an aqueous spray process intended for cleaning solid rocket motor metal components (steel and aluminum). A two-level, six-parameter, fractional factorial matrix was constructed and conducted for two cleaners, Brulin 815 GD and Diversey Jettacin. The matrix parameters included cleaner temperature and concentration, wash density, wash pressure, rinse pressure, and dishwasher type. Other spray parameters: nozzle stand-off, rinse water temperature, wash and rinse time, dry conditions, and type of rinse water (deionized) were held constant. Matrix response testing utilized discriminating bond specimens (fracture energy and tensile adhesion strength) which represent critical production bond lines. Overall, Jettacin spray cleaning was insensitive to the range of conditions tested for all parameters and exhibited bond strengths significantly above the TCA test baseline for all bond lines tested. Brulin 815 was sensitive to cleaning temperature, but produced bond strengths above the TCA test baseline even at the lower temperatures. Ultimately, the experimental design database was utilized to recommend process parameter settings for future aqueous spray cleaning characterization work.

Keen, Jill M.↗

Microstructures and mechanical properties of a modified 9Cr ferritic-martensitic steel in the as-built condition after additive manufacturing

A newly developed nano-structured high-Mn 9Cr ferritic-martensitic (FM) steel designed for additive manufacturing (Additive-manufactured Nanostructured Alloy, ANA) was fabricated via the direct energy deposition method. The as-printed ANA2 showed tensile properties (strength and elongation) and Charpy impact toughness (upper-shelf energy and ductile-brittle transition temperature) comparable to oxide-dispersion-strengthened (ODS) Eurofer and PM2000. Compared with wrought P91, the as-built ANA2 showed significantly higher yield strength but inferior Charpy impact toughness and ductility. Microstructural characterization revealed uniformly distributed sub-micron pores, an extremely high dislocation density, and a high density of ultrafine nano-structured precipitates in the matrix. The microstructures indicated the dislocations as the dominant strengthening element and the ultrafine precipitates as the primary contribution to estimated irradiation sink density. This work demonstrates the ability to exploit the unique consolidation properties of additive manufacturing to fabricate steels which marry the benefits of both ODS alloys and conventionally processed FM steels.

36 MATERIALS SCIENCE↗

Manufacturing in space.

Space, in contrast to earth, offers total gravity control and unequaled vacuum, temperature, pressure, and radiation characteristics. In zero-g molecular forces such as cohesion and adhesion become controlling factors even in the largest bulk processes. The absence of relative mass accelerations eliminates the need for support of solid matter. Stability in liquid-solid, liquid-liquid, or liquid-gas mixtures, and the absence of thermal convection is obtained because there is no relative motion in fluids due to differences in density. Applications of these characteristics include liquid-matrix preparation of composites, fine-grain castings, supersaturated alloys, combinations which exhibit liquid-phase immiscibility, the containerless free suspension of materials, surface-tension casting, surface-tension drawing, adhesion casting, and controlled density casting.

Wuenscher, H. F.↗

On minimizing the probability of misclassification for linear feature selection

The use of techniques for feature selection permits treatment of classification problems in spaces of reduced dimensions. A method is considered of linear feature selection for n-dimensional observation vectors which belong to one of two populations, where each population is described by a known multivariate normal density function. More specifically, the problem of finding a 1xn transformation matrix B for which the probability of misclassification with respect to the one-dimensional transformed density functions was minimized was considered. Theoretical results are presented which give rise to a numerically tractable expression for the variation in the probability of misclassification with respect to B. Using this expression a computational procedure is discussed for obtaining a B which minimizes the probability of misclassification. Preliminary numerical results are discussed.

Guseman, L. F., Jr.↗

Neural network based feed-forward high density associative memory

A novel thin film approach to neural-network-based high-density associative memory is described. The information is stored locally in a memory matrix of passive, nonvolatile, binary connection elements with a potential to achieve a storage density of 10 to the 9th bits/sq cm. Microswitches based on memory switching in thin film hydrogenated amorphous silicon, and alternatively in manganese oxide, have been used as programmable read-only memory elements. Low-energy switching has been ascertained in both these materials. Fabrication and testing of memory matrix is described. High-speed associative recall approaching 10 to the 7th bits/sec and high storage capacity in such a connection matrix memory system is also described.

Daud, T.↗

Engine materials characterization and damage monitoring by using x ray technologies

X ray attenuation measurement systems that are capable of characterizing density variations in monolithic ceramics and damage due to processing and/or mechanical testing in ceramic and intermetallic matrix composites are developed and applied. Noninvasive monitoring of damage accumulation and failure sequences in ceramic matrix composites is used during room-temperature tensile testing. This work resulted in the development of a point-scan digital radiography system and an in situ x ray material testing system. The former is used to characterize silicon carbide and silicon nitride specimens, and the latter is used to image the failure behavior of silicon-carbide-fiber-reinforced, reaction-bonded silicon nitride matrix composites. State-of-the-art x ray computed tomography is investigated to determine its capabilities and limitations in characterizing density variations of subscale engine components (e.g., a silicon carbide rotor, a silicon nitride blade, and a silicon-carbide-fiber-reinforced beta titanium matrix rod, rotor, and ring). Microfocus radiography, conventional radiography, scanning acoustic microscopy, and metallography are used to substantiate the x ray computed tomography findings. Point-scan digital radiography is a viable technique for characterizing density variations in monolithic ceramic specimens. But it is very limited and time consuming in characterizing ceramic matrix composites. Precise x ray attenuation measurements, reflecting minute density variations, are achieved by photon counting and by using microcollimators at the source and the detector. X ray computed tomography is found to be a unique x ray attenuation measurement technique capable of providing cross-sectional spatial density information in monolithic ceramics and metal matrix composites. X ray computed tomography is proven to accelerate generic composite component development. Radiographic evaluation before, during, and after loading shows the effect of preexisting volume flaws on the fracture behavior of composites. Results from one-, three-, five-, and eight-ply ceramic composite specimens show that x ray film radiography can monitor damage accumulation during tensile loading. Matrix cracking, fiber-matrix debonding, fiber bridging, and fiber pullout are imaged throughout the tensile loading of the specimens. In situ film radiography is found to be a practical technique for estimating interfacial shear strength between the silicon carbide fibers and the reaction-bonded silicon nitride matrix. It is concluded that pretest, in situ, and post-test x ray imaging can provide greater understanding of ceramic matrix composite mechanical behavior.

Baaklini, George Y.↗

Single-Step Direct Laser Writing of Multimetal Oxygen Evolution Catalysts from Liquid Precursors

We investigate a laser direct-write method to synthesize and deposit metastable, mixed transition metal oxides and evaluate their performance as oxygen evolution reaction catalysts. This laser processing method enabled the rapid synthesis of diverse heterogeneous alloy and oxide catalysts directly from cost-effective solution precursors, including catalysts with a high density of nanocrystalline metal alloy inclusions within an amorphous oxide matrix. The nanoscale heterogenous structures of the synthesized catalysts were consistent with reactive force-field Monte Carlo calculations. By evaluating the impact of varying transition metal oxide composition ratios, we created a stable Fe 0.63 Co 0.19 Ni 0.18 O x /C catalyst with a Tafel slope of 38.23 mV dec -1 and overpotential of 247 mV, a performance similar to that of IrO 2 . Synthesized Fe 0.63 Co 0.19 Ni 0.18 O x /C and Fe 0.14 Co 0.46 Ni 0.40 O x /C catalysts were experimentally compared in terms of catalytic performance and structural characteristics to determine that higher iron content and a less crystalline structure in the secondary matrix decreases the charge transfer resistance and thus is beneficial for electrocatalytic activity. Furthermore, this conclusion is supported by density-functional theory calculations showing distorted active sites in ternary metal catalysts are key for lowering overpotentials for the oxygen evolution reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Raccoon densities across four land cover types in the southeastern United States

Raccoons (Procyon lotor) are the primary reservoir for rabies virus in eastern North America. Management of rabies in raccoons is achieved primarily with the use of oral rabies vaccination (ORV) and effective ORV bait densities are determined in part by the densities of raccoons. Decisions regarding ORV bait densities, however, are limited by an incomplete understanding of raccoon densities across the spectrum of landscapes they occupy. We carried out a mark-recapture study of raccoons on the Savannah River Site in South Carolina, USA, from 2017–2019, to develop sex- and landscape-specific raccoon density estimates across 4 rural land cover types in the southeastern United States: bottomland hardwood, riparian forest, isolated wetland, and upland pine (Pinus spp.). We captured 404 unique raccoons 773 times over the 3-year trapping period. Estimated densities were 5.44 ± 0.37 (SE) animals/km 2 in bottomland hardwood forest, 2.62 ± 0.32 animals/km 2 in riparian forest, 2.19 ± 0.29 animals/km 2 in isolated wetlands, and 2.14 ± 0.23 animals/km 2 in upland pine. Densities were significantly higher in bottomland hardwood than all other land cover types, whereas densities among the remaining cover types were similar. These patterns are likely the result of landscape fragmentation and configuration, with riparian forests typically embedded in a matrix of less suitable cover types, leading to low densities despite presumably high resource availability. There were higher densities of males than females in every cover type except upland pine, where the sex ratio was balanced. Densities on our site were low compared to other rural areas, which likely results from the lack of human influence in terms of agriculture or development. The financial cost of baiting for ORV distribution may be reduced by considering the comparatively low densities of raccoons in these rural landscapes in the southeastern United States.

59 BASIC BIOLOGICAL SCIENCES↗

Microstructural evolution of a silicon carbide-carbon coated nanostructured ferritic alloy composite during in-situ Kr ion irradiation at 300°C 450°C

This work focuses on irradiation behaviors of a novel silicon carbide and carbon coated nanostructured ferritic alloy (SiC-C@NFA) composite for potential applications as a cladding and structural material for next generation nuclear reactors. The SiC-C@NFA samples were irradiated with 1 MeV Kr ions up to 10 dpa at 300 and 450 °C. Microstructures and defect evolution were studied in-situ at the IVEM-Tandem facility at Argonne National Laboratory. The effects of ion irradiation on various phases such as α-ferrite matrix, (Fe,Cr) 7 C 3 , and (Ti,W)C precipitates were evaluated. The α-ferrite matrix showed a continuous increase in dislocation density along with spatial ordering of dislocation loops (or loop strings) at >5 dpa. The size of the dislocation loops at 450 °C was larger than that at 300 °C. The nucleation and growth of new (Ti,W)C precipitates in α-ferrite grains were enhanced with the ion dose at 450 °C. This study provides new insight into the irradiation resistance of the SiC-C@NFA system.

(FeCr)(7)C-3↗

Calculation of spin–orbit couplings using RASCI spinless one-particle density matrices: Theory and applications

Here we present the formalism and implementation for calculations of spin–orbit couplings (SOCs) using the Breit–Pauli Hamiltonian and non-relativistic wave functions described by the restricted active space configuration interaction (RASCI) method with general excitation operators of spin-conserving spin-flipping, ionizing, and electron-attaching types. The implementation is based on the application of the Wigner–Eckart theorem within the spin space, which enables the calculation of the entire SOC matrix based on the explicit calculation of just one transition between the two spin multiplets. Numeric results for a diverse set of atoms and molecules highlight the importance of a balanced treatment of correlation and adequate basis sets and illustrate the overall robust performance of RASCI SOCs. The new implementation is a useful addition to the methodological toolkit for studying spin-forbidden processes and molecular magnetism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Binary Cation Matrix Electrolyte and Its Effect on Solid Electrolyte Interphase Suppression and Evolution of Si Anode

An unstable solid electrolyte interphase (SEI) has been recognized as one of the biggest challenges to commercializing silicon (Si) anodes for high-energy-density batteries. This work thoroughly investigates a binary cation matrix of Mg 2+ +Li + electrolyte and its role in SEI development, suppression, and evolution of a Si anode. Findings demonstrate that introducing Mg ions dramatically reduces the SEI growth before lithiation occurs, primarily due to the suppression of solvent reduction, particularly ethylene carbonate (EC) reduction. The Mg 2+ alters the Li + cation solvation environment as EC preferably participates in the oxophyllic Mg 2+ solvation sheath, thereby altering the solvent reduction process, resulting in a distinct SEI formation mechanism. The initial SEI formation before lithiation is reduced by 70% in the electrolyte with the presence of Mg 2+ cations. While the SEI continues to develop in the postlithiation, the inclusion of Mg ions results in an approximately 80% reduction in the postlithiation SEI growth. Continuous electrochemical cycling reveals that Mg 2+ plays a crucial role in stabilizing the deep-lithiated Si phases, which effectively mitigates side reactions, resulting in controlled SEI growth and stable interphase while eliminating complex Li x Si y formation. Mg ions promote the development of a notably more rigid and homogeneous SEI, characterized by a reduced dissipation (ΔD) in the Mg 2+ +Li + ion matrix compared to the solely Li + system. In conclusion, this report reveals how the Mg 2+ +Li + ion matrix affects the SEI evolution, viscoelastic properties, and electrochemical behavior at the Si interface in real time, laying the groundwork for devising strategies to enhance the performance and longevity of Si-based next-generation battery systems.

25 ENERGY STORAGE↗