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At least 559 records · Page 31

Probing the role of local tunnel variations in early-stage lithiation of α-MnO₂ nanowires via in situ TEM

Understanding lithium-ion transport in tunnel-structured manganese oxides is essential for designing high-performance lithium-ion battery electrode materials. Here, we elucidate the early-stage lithiation mechanism of potassium-stabilized α-MnO 2 nanowires using in situ transmission electron microscopy (TEM) coupled with electron energy-loss spectroscopy (EELS), high-resolution TEM (HRTEM), and geometric phase analysis (GPA). Real-time TEM imaging reveals clear volume expansion at the reaction front, while EELS analysis uncovers lithium-ion diffusion far beyond this region, where no visible expansion is observed, indicating fast, defect-assisted transport. GPA and HRTEM analyses show that localized tensile and compressive strain fields, originating from pre-existing local tunnel structural variations, persist after lithiation. The tensile-strained regions enable lithium-ion insertion with minimal lattice distortion, offering additional free volume that facilitates rapid lithium-ion accommodation ahead of the structural transformation. Our results demonstrate a local tunnel variation-mediated fast diffusion pathway that precedes bulk reaction, underscoring the critical role of local strain in enabling early-stage lithium transport. Given the structural versatility of MnO 2 and its ability to accommodate diverse atomic arrangements beyond the well-known tunnel phases (β-, γ-, δ-, λ-, R-phases), our findings highlight the importance of understanding and engineering local structural environments. This work provides fundamental insights into the interplay between defects, strain, and ion dynamics, and presents defect engineering as a promising approach to enhance both rate performance and structural stability in manganese-based cathodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Redox-Based Chemical Looping Large-Scale Air Separation Unit Designs Using Perovskite Material

Oxygen production by means of air separation through redox cycle reactions of Sr 1–x Ca x FeO 3-δ perovskite particles is examined numerically in the context of modular large-scale units. Fixed-bed, multicomponent reactor designs allowing for the recovery of the energy released by the exothermic oxidation (or adsorption) to enhance the endothermic reduction (or desorption) of the perovskite material are considered and compared against a baseline cylindrical packed bed. Numerically, the gas–solid reacting system is approximated as a single-phase reacting gas flow through a porous medium of constant porosity. The redox kinetics account for the oxygen nonstoichiometry of the perovskite, which exhibits a dependence on the temperature and the oxygen partial pressure, in order to describe some mechanisms of the oxygen vacancies. Results show that the spontaneous release of the oxygen from the lattice arrangements, through the thermal management of the heat of the oxidation reaction from the geometrical design of the reactors, can be enhanced up to 4% with respect to the baseline oxygen production of 0.201 g O 2 ·h –1 ·g perovskite –1 with the cylindrical packed bed, in the condition of operations in this work, at 500 °C. Sensitivity to the operation temperature showed that the oxygen production is greatly enhanced by approximately 30% with the increase of the temperature from 500 to 550 °C. We report this result is consistent with experimental observations of faster release of the oxygen from the lattice arrangements of this perovskite at 550 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced manufacturing for electrosynthesis of fuels and chemicals from CO 2

Advanced manufacturing (AM) represents an appealing approach for creating novel electrochemical systems for chemicals synthesis. In this work, we demonstrate AM for rapid development and testing for improved performance for the carbon dioxide reduction reaction across an evolution of vapor-fed reactor designs. In our final design, we observe activation- and mixed-control regimes for a variety of operating conditions via inlet CO 2 flow rate and electrochemical potential. Furthermore, we define a dimensionless number (Da) to identify mass transport regimes by exploring the impact of hypothesized underlying mass transport mechanisms, including consumption of CO 2 via OH - , increased local temperatures, and partial penetration of electrolyte into gas diffusion layer. The accelerated pace of reactor design and development led to high geometric current densities (500 mA cm -2 ), heightened selectivity (85.5% FE C 2+ products), and increased carbon dioxide conversion (16.6%) and cathodic energy efficiency (49.6% CO 2 R). Using AM vapor-fed reactors, we attain high ethylene (3.67%) and record ethanol (3.66%) yields compared to the literature. Finally, this work underscores the promise of AM for accelerating reactor design, understanding of governing phenomena, and improving the performance of catalytic systems.

36 MATERIALS SCIENCE↗

Possible role of crustal flexure in the initial detachment of extensional allochthons

The existence of low-angle normal faults indicates that the ratio of shear stress (TAU) to normal stress (sigma sub N) needed to cause slip on faults is substantially less than would be predicted based on experimental data. Because the tensional strength of rock at a large scale is exceedingly low, the upper plate of a low-angle normal fault cannot be pulled down the fault ramp, but must be driven down it by its own weight. The active or recently active Sevier Desert detachment fault in western Utah dips regionally at 12 deg. The radio of shear stress to normal stress due to the weight of the upper plate on a 12 deg dipping fault surface is 0.2. In contrast, laboratory experiments indicate that slip on fracture surfaces occurs with almost all rock types when (tau/sigma) reaches values of 0.6 to 0.85, corresponding to normal-fault dips of 30 deg to 40 deg. Seismological data indicate that low deviatoric stresses are associated with movement on faults of other geometrics and are not unique to low-angle normal faults. It thus appears that approximately planar fault zones with surface areas of hundreds to thousands of square kilometers have different mechanical properties than would be predicted based on laboratory studies of fractured rock. Modeling of stresses indicates that deviatoric stresses greater than 5kb exist and are sustainable in oceanic lithosphere, and that failure occurs when tau/sigma sub N approaches 0.6 to 0.85.

Spencer, J. E.↗

Simulation of electronic registration of multispectral remote sensing images to 0.1 pixel accuracy

Band-to-band coregistration of multispectral remote sensing images can be achieved by electronic signal processing techniques rather than by costly and difficult mechanical alignment. This paper describes the results of a study of the end-to-end performance of electronic registration. The software simulation includes steps which model the performance of the geometric calibration process, the instrument image quality, detector performance and the effects of achieving coregistration through image resampling. The image resampling step emulates the Pipelined Resampling Processor, a real-time image resampler. The study demonstrates that the electronic alignment technique produces multispectral images which are superior to those produced by an imager whose pixel geometry is accurate to 0.1 pixel rms. The implications of this approach for future earth observation programs are discussed.

Reitsema, H. J.↗

Computer simulation and design of a three degree-of-freedom shoulder module

An in-depth kinematic analysis of a three degree of freedom fully-parallel robotic shoulder module is presented. The major goal of the analysis is to determine appropriate link dimensions which will provide a maximized workspace along with desirable input to output velocity and torque amplification. First order kinematic influence coefficients which describe the output velocity properties in terms of actuator motions provide a means to determine suitable geometric dimensions for the device. Through the use of computer simulation, optimal or near optimal link dimensions based on predetermined design criteria are provided for two different structural designs of the mechanism. The first uses three rotational inputs to control the output motion. The second design involves the use of four inputs, actuating any three inputs for a given position of the output link. Alternative actuator placements are examined to determine the most effective approach to control the output motion.

Marco, David↗

The mechanics of the South Iceland Seismic Zone

The mechanics of the South Iceland Seismic Zone is examined by means of boundary element modeling. The differences between the observed geometry of the major tectonically active features and that of a geometrically orthogonal ridge-transform system (which assumes that the upper part of the earth's crust is an elastic plate containing vertical cuts) are examined. It is suggested that north-south faults can accommodate transform deformation only if the faults are longer or more numerous than those observed so far. This is considered reasonable because earthquake surface rupture lengths are commonly less than the inferred fault length at depth. The South Iceland Seismic Zone is subject to sequences of large earthquake every 45-112 years. In comparing the seismic moment release derived from earthquake magnitudes with that predicted by the models, it is confirmed that the system of north-south faults can act as a transform fault.

Hackman, M. Christine↗

Assumed--stress hybrid elements with drilling degrees of freedom for nonlinear analysis of composite structures

The goal of this research project is to develop assumed-stress hybrid elements with rotational degrees of freedom for analyzing composite structures. During the first year of the three-year activity, the effort was directed to further assess the AQ4 shell element and its extensions to buckling and free vibration problems. In addition, the development of a compatible 2-node beam element was to be accomplished. The extensions and new developments were implemented in the Computational Structural Mechanics Testbed COMET. An assessment was performed to verify the implementation and to assess the performance of these elements in terms of accuracy. During the second and third years, extensions to geometrically nonlinear problems were developed and tested. This effort involved working with the nonlinear solution strategy as well as the nonlinear formulation for the elements. This research has resulted in the development and implementation of two additional element processors (ES22 for the beam element and ES24 for the shell elements) in COMET. The software was developed using a SUN workstation and has been ported to the NASA Langley Convex named blackbird. Both element processors are now part of the baseline version of COMET.

Knight, Norman F., Jr.↗

Debris Dispersion Model Using Java 3D

This paper describes web based simulation of Shuttle launch operations and debris dispersion. Java 3D graphics provides geometric and visual content with suitable mathematical model and behaviors of Shuttle launch. Because the model is so heterogeneous and interrelated with various factors, 3D graphics combined with physical models provides mechanisms to understand the complexity of launch and range operations. The main focus in the modeling and simulation covers orbital dynamics and range safety. Range safety areas include destruct limit lines, telemetry and tracking and population risk near range. If there is an explosion of Shuttle during launch, debris dispersion is explained. The shuttle launch and range operations in this paper are discussed based on the operations from Kennedy Space Center, Florida, USA.

Thirumalainambi, Rajkumar↗

Modeling Fiber Kinking at the Microscale and Mesoscale

A computational micromechanics (CMM) model is employed to interrogate the assumptions of a recently developed mesoscale continuum damage mechanics (CDM) model for fiber kinking. The CMM model considers an individually discretized three dimensional fiber and surrounding matrix accounting for nonlinearity in the fiber, matrix plasticity, fiber/matrix interface debonding, and geometric nonlinearity. Key parameters of the CMM model were measured through experiments. In particular, a novel experimental technique to characterize the in situ longitudinal compressive strength of carbon fibers through indentation of micropillars is presented. The CDM model is formulated on the basis of Budiansky's fiber kinking theory (FKT) with a constitutive deformation-decomposition approach to alleviate mesh size sensitivity. In contrast to conventional mesoscale CDM models that prescribe a constitutive response directly, the response of the proposed model is an outcome of material nonlinearity and large rotations of the fiber direction following FKT. Comparison of the predictions from the CMM and CDM models shows remarkable correlation in strength, post-peak residual stress, and fiber rotation, with less than 10% difference between the two models in most cases. Additional comparisons are made with several fiber kinking models proposed in the literature to highlight the efficacy of the two models. Finally, the CMM model is exercised in parametric studies to explore opportunities to improve the longitudinal compression strength of a ply through the use of nonconventional microstructures.

Herraez, Miguel↗

Characterizing Early Damage Evolution in CMCs

Silicon carbide / silicon carbide ceramic matrix composites (SiC/SiC CMCs) are structural ceramics that are well-suited for the extreme environment conditions of space and aerospace applications largely due to their low weight, creep resistance, damage tolerance, and high specific strength. In CMCs, the initiation and accumulation of damage depends on characteristics of the constituent landscape including porosity, interfacial properties, and geometric distribution of CMC constituents. In order to accurately predict the lifetimes of these advanced composites, it is critical to understand the evolution of damage and to characterize which early damage mechanisms subsequently lead to crack coalescence and macroscopic failure. In this study, SiC/SiC minicomposites are characterized through an experimental approach combining acoustic emission (AE) with tensile testing in-SEM (scanning electron microscope), in order to examine early damage initiation (below the proportional limit) and its evolution at room temperature. The approach provides insight into the relative activity of early damage mechanisms in CMCs at both the surface and subsurface levels and sheds light on the impact of fabrication choices on the evolution of damage to final failure. The potential application of this combined approach towards the characterization of damage in SiC/SiC CMCs under more complex testing conditions will also be discussed.

damage evolution↗

Thin-wall Internal Channel Geometry and Surface Enhancements for Heat Exchangers using Laser Powder Directed Energy Deposition

Additive Manufacturing (AM) has offered many new design and manufacturing opportunities for components across various industries. As AM evolves there is a need to better understand outputs of the process including geometric limitations, surface texture, and post-processing surface enhancements for specific application requirements. One possible application area of AM are components using thin-wall (~1 mm) microchannel heat exchangers for subsystems across aerospace and industrial applications. Laser Powder Bed Fusion (L-PBF) is a common process for complex internal channels but the build diameter is limited to approximately 600 mm. Laser Powder Directed Energy Deposition (LP-DED) is being evaluated to produce thin-wall microchannel heat exchangers at scales beyond the L-PBF process. Successful deployment of the LP-DED technology requires characterization of geometric features from the process and potential improvements to the surface using post-processing. Surface texture, inclusive of roughness and waviness, is one of the critical attributes of AM that effects the friction factor and pressure drop within a heat exchanger and lacks data for the LP-DED process. This presentation will provide an overview of the characterization work completed of the LP-DED process for thin-walls and small channel geometry representative of various high performance alloys including NASA HR-1 and GRCop-42. An overview of the experiments conducted with varying LP-DED parameters, evaluation of various internal channel geometry, geometric build features, and resulting surface texture will be provided along with a summary of conclusions from these experiments. This study presents characterization of 2.5 mm microchannels using LP-DED, mechanisms that cause the surface texture which include powder adherence and material droop, and angled walls have a significant impact on the thickness and surface texture. Results will also be presented on various surface enhancement processes that allow for tuning of the wetting surface for friction factor, heat transfer, or fatigue life performance requirements.

Additive Manufacturing↗

Investigation of the notch sensitivity of tailorable long fiber discontinuous prepreg composite laminates

Tailorable discontinuous fiber composite laminates provide relative formability beyond that of continuous fiber laminates, while achieving improved mechanical performance over comparable stochastic systems. Here, in this work, the notch sensitivity of engineered prepreg platelet molded composite (PPMC) laminates is investigated using the open-hole tension (OHT) test and compared to available data for stochastic PPMCs and continuous fiber laminates made with the same material. The press-formed thermoplastic composites (AS4/PEKK) were molded with a quasi-isotropic stacking sequence. The discontinuous PPMC laminate was found to be notch insensitive with OHT strengths ranging from 145.4 MPa (CV $=$ 7%) for d/w $=$ 0.5 to 229.3 MPa (CV $=$ 9%) for d/w $=$ 0.25. The highly ordered meso-structure of the engineered PPMC laminate yields comparatively excellent mechanical properties for relatively thin laminates in contrast to stochastic systems. Both net- and gross-section failures were observed for d/w $=$ 0.25, which suggests that the engineered PPMC laminates studied here maintain a degree of inherent, internal stress concentrations that compete with those caused by geometric features such as a circular hole. Computational simulations of the OHT tests with explicitly represented platelets were found to be in good agreement with experimental measurements. The progressive failure analysis was used to conduct a numerical investigation of the stacking sequence and platelet meso-morphology.

36 MATERIALS SCIENCE↗

Computational Modeling of Photovoltaic Mini-Modules Undergoing Accelerated Stress Testing

A finite element model of a four-cell photovoltaic mini-module was developed and compared to experimental results from an accelerated stress test protocol in order to validate that computational models can accurately represent their physical counterparts when subjected to mechanical loading and to assess mini-module representativeness against full scale photovoltaic modules. Deflected shapes across the simulated mini-modules were compared to measured mini-module shapes when subjected to various pressure loads. Displaced mini-module shape results constrained to the experimental protocols of 0.4 mm and 1.1 mm of displacement at the mini-module center were compared to experimental results of full-size modules subjected to module qualification test load levels of 1.0 kPa and 2.4 kPa, to assess if the bending of mini-modules was representative of full-sized modules under the load. Temperature cycling was incorporated into the model to simulate the impacts of stress due to thermal expansion of the backsheet and cells. A preliminary uncertainty analysis was performed to show how variations in material properties and geometric parameters change the simulation results.

computational modeling↗

A comprehensive review of nonlinear oscillators in hydrokinetic energy harnessing using flow-induced vibrations

A comprehensive review of hydrokinetic energy converters based on alternating lift technology (ALT) is provided. Emphasis is on nonlinear oscillators based on Flow Induced Vibration (FIV) or Oscillation (FIO). Due to strong coupling in Fluid-Structure Interaction (FSI), and in order to maximize the hydrokinetic harnessed energy, design of nonlinear oscillators and analysis by model tests or computational fluid dynamics dominates this area. Research confirmed that the nonlinear oscillator can harvest energy from a stochastic excitation modeled by a generic wide spectrum, and overcome the most severe oscillator limitations: specifically, the need for continuous frequency tuning due to the narrow bandwidth response, and low efficiency outside the narrow bandwidth oscillator response. This review covers the following aspects of nonlinear oscillators in ALT converters: (1) Geometric changes in oscillator cross-section; e.g., circular, square, rectangular, or trilateral shapes. (2) Passive turbulence control of FIV/FIO. (3) Position based nonlinear stiffness. (4) Multi-cylinder synergistic FIV/FIO. (5) Mechanically linked oscillators. (6) Velocity-based, nonlinear, adaptive harnessing damping.

42 ENGINEERING↗

NUBOW-3D Demonstration on LFR: Final CRADA Report

The NUBOW-3D software was developed to assist in designing a core restraint system for sodium-cooled fast spectrum reactors. Originally conceived during the FFTF design activities, the United States has been a proponent of limited free bow reactor design ever since to improve safety performance. In fast spectrum reactors, successful safety performance during reactor transients requires favorable reactivity feedback that leads to safe power stabilization or even natural system shutdown. In fast spectrum reactors, one key mechanism that designers use to improve the performance is to make thermal expansion inject negative feedback into the reactor system. While most fast reactor systems generally have a negative reactivity response to geometric expansion, the NUBOW-3D software allows the designers to better explore the impact on reactivity and optimize the system to maximize its impact.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Design and operation of a deployable truss structure

A concept for the one dimensional deployable truss structure is presented. The deployed configuration of the structure consists of the repetition of a longitudinal octahedral truss module. The principal mechanical feature of the truss is that the lateral members comprising the lateral triangular truss are telescoping beams. Contracting of the lateral members results in the deployment of the truss structure. The geometric transformation of this truss of variable geometry is presented. Both simultaneous and sequential modes of transformation are possible. The validity of the transformation applied to the deployment is verified through design of a conceptual model.

Miura, K.↗