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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 1,081 records · Page 60

Probing Surface Plasmon Dynamics in Periodic Nanostructures through Ultrafast Electron Microscopy

Surface plasmon polaritons (SPPs) can be manipulated to localize and guide light in subwavelength distances, enabling them to find applications in a wide range of areas, from sensing to quantum computing. Among several methods of SPP excitation, periodic arrays of nano- and microstructures are of particular interest, as they enable engineering SPP properties through structural parameters. Here, in this study, using the photon-induced near-field electron microscopy (PINEM) technique, we investigated the mode formation, coupling, interference, and decay of SPPs in square and hexagonal arrays of circular nanoholes under both visible and near-infrared excitation. Polarization-resolved analysis revealed the key factors governing SPP localization and interference patterns, showing that the periodicity and symmetry of the array primarily determine the SPP interference patterns and their orientation, while pump polarization mainly modulates their intensity. Time-resolved PINEM measurements demonstrated the spatial dependence of the SPP temporal characteristics. In addition, cathodoluminescence (CL) spectroscopy was employed to examine the intrinsic plasmonic characteristics of the structure. Finite difference time domain (FDTD) simulations showed strong agreement with both PINEM and CL measurements on the spatial and spectral behavior of SPPs. Understanding the spatiotemporal dynamics of SPPs on nanostructures beyond the diffraction limit is crucial for optimizing plasmonic structures for advanced photonic and quantum technologies.

Plasmonics↗

Integrated design optimization research and development in an industrial environment

An overview is given of a design optimization project that is in progress at the GE Research and Development Center for the past few years. The objective of this project is to develop a methodology and a software system for design automation and optimization of structural/mechanical components and systems. The effort focuses on research and development issues and also on optimization applications that can be related to real-life industrial design problems. The overall technical approach is based on integration of numerical optimization techniques, finite element methods, CAE and software engineering, and artificial intelligence/expert systems (AI/ES) concepts. The role of each of these engineering technologies in the development of a unified design methodology is illustrated. A software system DESIGN-OPT has been developed for both size and shape optimization of structural components subjected to static as well as dynamic loadings. By integrating this software with an automatic mesh generator, a geometric modeler and an attribute specification computer code, a software module SHAPE-OPT has been developed for shape optimization. Details of these software packages together with their applications to some 2- and 3-dimensional design problems are described.

Kumar, V.↗

Structural Tuning of Self‐Conductive Polymer as Gas Diffusion Layer for Electrocatalytic Reactions at High Current

Electrocatalytic conversions offer a promising route for sustainable chemical production using renewable energy. Gas diffusion layers (GDLs) enable selective product formation at high current densities but suffer from electrolyte flooding, and polytetrafluoroethylene (PTFE)-based GDLs typically require metal conductive layers, which constrain catalyst development. A recently developed GDL configuration, electropolymerized poly(3,4-ethylenedioxythiophene) (PEDOT)-coated PTFE, demonstrates notable flooding resistance, but suffers from gas diffusion limitations at elevated currents due to limited gas diffusion through the PEDOT layer. Here, different dopants in PEDOT are exploited to modify the physical properties and enhance gas transport. ClO 4 − -doped PEDOT exhibits superior performance due to optimized physical structure, leading to increased gas permeance and faradaic efficiency (FE) for CO production during electrocatalytic CO 2 reduction. Further optimization of coverage and thickness achieved by adjusting charge density led to an optimal configuration at 33 mC cm −2 . This GDL supports various metal electrocatalysts and demonstrates FE CO of > 90% for over 150 h at −200 mA cm −2 using a commercial silver electrocatalyst. This work highlights the importance of GDL engineering in enhancing performance and durability for long-term electrocatalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Complexity of Blocking Bivalent Protein–Protein Interactions: Development of a Highly Potent Inhibitor of the Menin–Mixed-Lineage Leukemia Interaction

The protein–protein interaction between menin and mixed-lineage leukemia 1 (MLL1) plays an important role in development of acute leukemia with translocations of the MLL1 gene and in solid tumors. Here, we report the development of a new generation of menin–MLL1 inhibitors identified by structure-based optimization of the thienopyrimidine class of compounds. This work resulted in compound 28 (MI-1481), which showed very potent inhibition of the menin–MLL1 interaction (IC 50 = 3.6 nM), representing the most potent reversible menin–MLL1 inhibitor reported to date. The crystal structure of the menin-28 complex revealed a hydrogen bond with Glu366 and hydrophobic interactions, which contributed to strong inhibitory activity of 28. Compound 28 also demonstrates pronounced activity in MLL leukemia cells and in vivo in MLL leukemia models. Thus, we report 28 is a valuable menin–MLL1 inhibitor that can be used for potential therapeutic applications and in further studies regarding the role of menin in cancer.

60 APPLIED LIFE SCIENCES↗

A DFT Study on Structural, Electronic Mechanical and Thermodynamic Properties of 5f-Electron System BaAmO{sub 3}

The structural, electronic, mechanical and thermodynamic properties of the perovskite oxide BaAmO{sub 3} have been predicted using the full-potential linearized augmented plane wave (FP-LAPW) method. The equilibrium lattice constant, bulk modulus and pressure derivative were computed using different exchange correlations. The optimization of structure was carried out in ferromagnetic, anti-ferromagnetic and non-magnetic states, and the compound was found to be stable in the ferromagnetic state. A systematic study on the band structure and density of states was accomplished using generalized gradient approximation (GGA), Hubbard approximation (GGA + U) and modified Becke–Johnson exchange potential (mBJ),and the compound was found to have a half-metallic nature in all the approximations. The calculated total spin magnetic moment was found to be 5 μ{sub B} in all the approximations used. The second-order elastic constants, Young modulus, shear modulus, Poisson ratio and anisotropic factor have also been calculated. In order to have a complete understanding of BaAmO{sub 3}, the thermodynamic properties were studied in the pressure range of 0 to 40 GPa and the temperature range extending from 0 to 600 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Helical Photonic Metamaterials for Encrypted Chiral Holograms

Helical structures are among the most quintessential three-dimensional (3D) forms that exhibit mirror asymmetry, a hallmark of chirality. Various structural parameters of helices directly linked to chiroptical properties highlight their importance as essential optical metamaterials for polarization-resolved sensors, imaging, and spectroscopies. However, such function-defining properties remain incompletely understood due to fabrication challenges and the lack of a relationship between structure and optical properties. Here, helical structures are analyzed parametrically, and correlations are established that are applicable to the design of chiral helical optical metamaterials. By systematically varying independent parameters—such as from single-turn to five-turn helices and from small major radii to larger ones optimized to fit the unit cell—the underlying relationships with ellipticty are revealed. In addition to theoretical modeling, the findings are experimentally validated using 3D printing and terahertz spectroscopy. The results demonstrate that optimized helical structures are mechanically tunable and exhibit unprecedented optical properties, including broadband and high-magnitude ellipticity spectra. Being embedded in soft elastomers, helical arrays can serve as soft, stretchable optical-mechanical sensors and holograms containing encoded information, such as barcodes and quick response (QR) codes. Chiral QR codes are realized using pixelated single helices with different handedness, demonstrating their potential as advanced encryption/decryption systems for security applications and chiral metaholograms.

Encrypted QR codes↗

Finite Element Analysis of Morphing Piezoelectric Structures Studied

The development of morphing aerospace structures that optimize their shape offers the potential to significantly improve the performance of existing airplanes. These morphing vehicles will operate with new capabilities to reduce noise, damp vibrations, manipulate flow, and monitor damage. Piezoelectric materials represent one of the popular materials currently being investigated for applications in morphing structures.

Lee, Ho-Jun↗

Optimization of a Lunar Pallet Lander Reinforcement Structure Using a Genetic Algorithm

This paper presents a design automation process using optimization via a genetic algorithm to design the conceptual structure of a Lunar Pallet Lander. The goal is to determine a design that will have the primary natural frequencies at or above a target value as well as minimize the total mass. Several iterations of the process are presented. First, a concept optimization is performed to determine what class of structure would produce suitable candidate designs. From this a stiffened sheet metal approach was selected leading to optimization of beam placement through generating a two-dimensional mesh and varying the physical location of reinforcing beams. Finally, the design space is reformulated as a binary problem using 1-dimensional beam elements to truncate the design space to allow faster convergence and additional mechanical failure criteria to be included in the optimization responses. Results are presented for each design space configuration. The final flight design was derived from these results.

Burt, Adam O.↗

Topology optimization of multiple deformable bodies in contact with large deformations

Previous works in topology optimization of structures with contact boundary conditions have concentrated on the two-dimensional rigid obstacle problem. This is because the contact analysis of multiple three-dimensional deformable bodies with meshes that are non-matching across the contact interface requires computationally complex contact algorithms beyond the scope of previous optimization investigations. Here, our research is devoted to addressing topology design problems with multiple deformable three-dimensional components in contact using state-of-the-art contact algorithms.

42 ENGINEERING↗

Role of Alkali-Metal Cations in Electronic Structure and Halide Segregation of Hybrid Perovskites

The ability to control or prevent phase segregation in perovskites is crucial to realizing stable and tunable mixed-halide optoelectronic devices. Here, we systematically examine the impact of alkali-metal-cation (Cs + and K + ) concentration on the band structure, chemical composition, phase segregation, and polycrystalline microstructure on formamidinium-dominated mixed-halide mixed-cation perovskite films. It was found that the incorporation of Cs + and K + cations decreases the work function and the core levels of all components shift toward higher binding energy consistent with n-doping the perovskite film, which facilitates electron transfer to the electron transport layer TiO 2 . A concentration-dependent film structure was observed by X-ray photoemission spectroscopy and grazing incidence wide-angle X-ray scattering where the halides and cations are distributed evenly across perovskite films at low metallic cation concentration (5%). A high metal-cation ratio (20%) leads to halide segregation within the perovskite film and the surface becomes bromide-poor, whereas the bromide and metal cations diffuse more deeply within the film. These differences in electronic properties, element distribution, and film morphology were reflected in the device performance where the power conversion efficiency of low-metallic-cation concentration (5% of Cs + and K + ) perovskite solar cells is ≈5% higher than the high-concentration ones (20%). This study provides valuable chemical and physical insight into the underlying trade-offs in the careful tuning of electrical properties and film structure to optimize multication and mixed-halide hybrid perovskites.

36 MATERIALS SCIENCE↗

Structural stability and artificial buckling modes in topology optimization

Abstract This paper demonstrates how a strain energy transition approach can be used to remove artificial buckling modes that often occur in stability constrained topology optimization problems. To simulate the structural response, a nonlinear large deformation hyperelastic simulation is performed, wherein the fundamental load path is traversed using Newton’s method and the critical buckling load levels are estimated by an eigenvalue analysis. The goal of the optimization is to minimize displacement, subject to constraints on the lowest critical buckling loads and maximum volume. The topology optimization problem is regularized via the Helmholtz PDE-filter and the method of moving asymptotes is used to update the design. The stability and sensitivity analyses are outlined in detail. The effectiveness of the energy transition scheme is demonstrated in numerical examples.

Dalklint, Anna (ORCID:0000000346195205)↗

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation Environment (MOOSE) input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of optimized lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗

Simulation of Helium Flow Visualization Apparatus for Studies of Blanket Cooling in Fusion Reactors

Flow visualization is essential to understanding helium cooling performance. This article investigates helium flow visualization in an apparatus to support the design of the blanket first wall for a fusion reactor. Helium’s safety advantages make it an attractive coolant, but effective cooling and flow visualization remain challenging. Sophisticated simulations are conducted in different test sections to address three key areas in the design of a test apparatus and cooling channel enhancements: the influence of viewing glass windows on flow patterns, the impact of increased heating, and the effectiveness of cooling structures like baffles. Viewing glass windows introduce flow recirculation region bifurcation and flow asymmetry, affecting flow patterns and necessitating careful analysis in future experiments. Increased heating results in helium flow detachment from the heated surface, leading to hot spots. Cooling structures, particularly baffles, prove effective in maintaining consistent attachment to the heated surface, improving the heat transfer performance. Further, this study also examines a tunable parameter in the turbulence model, highlighting the importance of accurate model tuning for future fusion reactor cooling designs. With an imminent helium flow visualization facility, these simulations will be used to optimize cooling structures on the heated wall to improve flow attachment and heat transfer efficiency. This work serves as a first investigation of the helium flow visualization apparatus for blanket cooling enhancement in fusion reactor design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Feature Extraction for Pipeline Defects Inspection Based Upon Distributed Acoustic Fiber Optic Sensing Data

Fiber-optic distributed acoustic sensing (DAS) is becoming an increasingly important tool for real-time monitoring of energy and civil infrastructure structural health such as pipelines. We present a systematic theoretical study of the potential for DAS to be directly coupled with guided ultrasonic waves typically used in conventional acoustic non-destructive evaluation (NDE) methods for real-time pipeline health monitoring. We are referring to this innovative new NDE technique as ultrasonic guided wave and optical fiber sensor fusion. In the practical application of DAS coupled with guided ultrasonic waves, the structural design of (1) the specific guided waves excited, (2) the physical installation of the acoustic transducers and the fiber optic sensors, and (3) the functional performance specifications (gauge length, sensitivity, Etc.) of fiber optic DAS have an important influence on overall capabilities of the monitoring system. Meanwhile, physics-based analysis of acoustic waves is still a challenge due to the complex nature of the Lamb wave when it propagates, scatters, and disperses in the presence of structural defects. In this work, we simulate carbon steel pipes relevant for oil and gas pipeline applications with diameters of approximately 6-12” and wall thickness of 0.5” as the objects to be monitored. By establishing and implementing these capabilities, we seek to pursue an in-depth study on structural parameter optimization of DAS network, measurement range, and signal processing with an ultimate goal of increasing the sensitivity and efficacy of DAS to defect identification for various modes of corrosion expected in practice. To study the characteristics of scattered acoustic waves and performance of DAS for defect identification, we simulated the response of DAS for multiple pipe structures, defect types, and DAS sensor network configuration using finite element software Ansys, then the properties of signal response are extracted to construct defect-sensitive features. The raw data simulated, and the associated features extracted can ultimately be utilized as annotated training data to benchmark various designs for DAS applications, guided acoustic excitation sources, and learning model parameters to enhance early detection of potentially problematic defects.

Pipeline Defects Inspection, Fiber-optic sensors, ↗

Optimal control of large space structures via generalized inverse matrix

Independent Modal Space Control (IMSC) is a control scheme that decouples the space structure into n independent second-order subsystems according to n controlled modes and controls each mode independently. It is well-known that the IMSC eliminates control and observation spillover caused when the conventional coupled modal control scheme is employed. The independent control of each mode requires that the number of actuators be equal to the number of modelled modes, which is very high for a faithful modeling of large space structures. A control scheme is proposed that allows one to use a reduced number of actuators to control all modeled modes suboptimally. In particular, the method of generalized inverse matrices is employed to implement the actuators such that the eigenvalues of the closed-loop system are as closed as possible to those specified by the optimal IMSC. Computer simulation of the proposed control scheme on a simply supported beam is given.

Nguyen, Charles C.↗

Goddard problem in presence of a dynamic pressure limit

The Goddard problem is that of maximizing the final altitude for a vertically ascending, rocket-powered vehicle under the influence of an inverse square gravitational field and atmospheric drag. The present paper deals with the effects of two additional constraints, namely, a dynamic pressure limit and specified final time. Nine different switching structures involving zero-thrust arcs, full-thrust arcs, singular-thrust arcs, and state-constrained arcs are obtained when the value of the dynamic pressure limit is varied between zero and infinity and the final time is specified between the minimum possible time within which all of the fuel can be burned and the natural final time that emerges for the problem with final time unspecified. For all points in the aforementioned domain of dynamic pressure limit and prescribed final time, the associated optimal switching structure is clearly identified. Finally, a simple intuitive feedback law is presented for the free time problem. For all values of prescribed dynamic pressure limit, this strategy yields a loss in final altitude of less than 3 percent with respect to the associated optimal solution.

Seywald, Hans↗

A strategy for reducing turnaround time in design optimization using a distributed computer system

There is a need to explore methods for reducing lengthly computer turnaround or clock time associated with engineering design problems. Different strategies can be employed to reduce this turnaround time. One strategy is to run validated analysis software on a network of existing smaller computers so that portions of the computation can be done in parallel. This paper focuses on the implementation of this method using two types of problems. The first type is a traditional structural design optimization problem, which is characterized by a simple data flow and a complicated analysis. The second type of problem uses an existing computer program designed to study multilevel optimization techniques. This problem is characterized by complicated data flow and a simple analysis. The paper shows that distributed computing can be a viable means for reducing computational turnaround time for engineering design problems that lend themselves to decomposition. Parallel computing can be accomplished with a minimal cost in terms of hardware and software.

Young, Katherine C.↗