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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 631 records · Page 35

Sensitivity-Informed Bayesian Inference for Home PLC Network Models with Unknown Parameters

Bayesian inference is used to calibrate a bottom-up home PLC network model with unknown loads and wires at frequencies up to 30 MHz. A network topology with over 50 parameters is calibrated using global sensitivity analysis and transitional Markov Chain Monte Carlo (TMCMC). The sensitivity-informed Bayesian inference computes Sobol indices for each network parameter and applies TMCMC to calibrate the most sensitive parameters for a given network topology. A greedy random search with TMCMC is used to refine the discrete random variables of the network. This results in a model that can accurately compute the transfer function despite noisy training data and a high dimensional parameter space. The model is able to infer some parameters of the network used to produce the training data, and accurately computes the transfer function under extrapolative scenarios.

42 ENGINEERING↗

Simultaneous material, shape and topology optimization

Using three design fields we develop an optimization environment that can simultaneously optimize material, shape and topology. We use the implicit representation of the boundaries with level-set functions that define the shape and topology. Differentiable R-functions allow us to combine these shapes and topology descriptions with Boolean operations. Additionally, we incorporate design dependent-stiffness materials with another design field. Notably, this framework accommodates design dependent loads, has the ability to introduce holes, and ensures the satisfaction of optimality criteria. It builds upon the fictitious domain, ersatz material, material interpolation and level-set methods. Additionally, it also borrows from parameterized density-based topology optimization methods. Since analytical sensitivities can be computed, we use efficient nonlinear programming algorithms to update the design instead of the Hamilton–Jacobi’s scheme of level-set methods. We illustrate the features of our framework by designing a cantilever beam with octet truss microlattice, a dam with design-dependent loads, and a composite clevis plate.

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A Comprehensive Approach towards Multi-Objective EMI Filter Design Optimization in High-Frequency SiC-Based Motor Drives

With rapid penetration of high-frequency, highdensity power electronics into the industry, controlling the system generated EMI becomes one of the major design challenges. Designing practical optimized EMI filters require simultaneous consideration of multiple aspects - including electromagnetic couplings, magnetic materials, practical component parasitics and their impacts at high-frequencies, and also the overall manufacturing costs. The multi-dimensional nature of the problem often results in overcompensated designs that hurt the system efficiency and power density. This paper focuses on a comprehensive design platform (developed in MATLAB) towards designing high-density, optimized, highly efficient EMI filters by analyzing the generated noise spectrum and evaluating a vast array of potential solutions before outputting an optimized filter solution. The proposed tool includes database-based component selection, optimal topology selection, multistage filter design, overall optimization for volume, mass, cost and total loss. The proposed filter has been thoroughly evaluated in a PSIM simulation environment emulating the hardware in CRD300DA12EXM3, a 300kW three-phase inverter from Wolfspeed with an RL load representing a motor drive application. Furthermore, a 20kHz switching frequency is chosen and impacts of the motor high-frequency characteristics on the generated EMI noise spectrum of the overall system have been analyzed.

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Detecting Anomalies for Fire Prevention in Distribution Systems: Challenges and Analytical Techniques

Electric utilities in California have historically been linked to up to 10% of wildfires. To mitigate this risk, Southern California Edison has invested significantly in wildfire prevention strategies, including undergrounding cables and enhancing equipment inspections. This article explores a novel approach to fire prevention by detecting anomalies in the distribution system that may indicate potential fire hazards. The focus is on identifying arcing conditions through high-resolution point-on-wave (POW) measurements. Arcing, a precursor to fires, is challenging to detect due to its subtle transients and complex system topology. The article discusses the use of advanced signal processing and machine learning techniques, such as spectral correlation function and discrete wavelet transform, to extract features from POW data and accurately identify arcing events. The study demonstrates a high accuracy rate in detecting arcing, paving the way for improved fire prevention measures in electric distribution systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

g-factor engineering with InAsSb alloys toward zero band gap limit

Band gap is known as an effective parameter for tuning the Landé g factor in semiconductors and can be manipulated in a wide range through the bowing effect in ternary alloys. In this work, using the recently developed virtual substrate technique, high-quality InAsSb alloys throughout the whole Sb composition range are fabricated and a large g factor of g≈-90 at the minimum band gap of ~0.1 eV, which is almost twice that in bulk InSb, is found. Further analysis to the zero gap limit reveals a possible gigantic g factor of g≈-200 with a peculiar relativistic Zeeman effect that disperses as the square root of magnetic field. Such a g-factor enhancement toward the narrow gap limit cannot be quantitatively described by the conventional Roth formula, as the orbital interaction effect between the nearly triply degenerated bands becomes the dominant source for the Zeeman splitting. These results may provide insights into realizing large g factors and spin-polarized states in semiconductors and topological materials.

36 MATERIALS SCIENCE↗

Spatiotemporal control of liquid crystal structure and dynamics through activity patterning

Active materials are capable of converting free energy into mechanical work to produce autonomous motion, and exhibit striking collective dynamics that biology relies on for essential functions. Controlling those dynamics and transport in synthetic systems has been particularly challenging. Here, we introduce the concept of spatially structured activity as a means of controlling and manipulating transport in active nematic liquid crystals consisting of actin filaments and light-sensitive myosin motors. In this work, simulations and experiments are used to demonstrate that topological defects can be generated at will and then constrained to move along specified trajectories by inducing local stresses in an otherwise passive material. These results provide a foundation for the design of autonomous and reconfigurable microfluidic systems where transport is controlled by modulating activity with light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unconventional Anomalous Hall Effect Driven by Self‐Intercalation in Covalent 2D Magnet Cr 2 Te 3

Covalent 2D magnets such as Cr 2 Te 3 , which feature self-intercalated magnetic cations located between monolayers of transition-metal dichalcogenide material, offer a unique platform for controlling magnetic order and spin texture, enabling new potential applications for spintronic devices. Here, it is demonstrated that the unconventional anomalous Hall effect (AHE) in Cr 2 Te 3 , characterized by additional humps and dips near the coercive field in AHE hysteresis, originates from an intrinsic mechanism dictated by the self-intercalation. This mechanism is distinctly different from previously proposed mechanisms such as topological Hall effect, or two-channel AHE arising from spatial inhomogeneities. Crucially, multiple Weyl-like nodes emerge in the electronic band structure due to strong spin-orbit coupling, whose positions relative to the Fermi level is sensitively modulated by the canting angles of the self-intercalated Cr cations. These nodes contribute strongly to the Berry curvature and AHE conductivity. This component competes with the contribution from bands that are less affected by the self-intercalation, resulting in a sign change in AHE with temperature and the emergence of additional humps and dips. The findings provide compelling evidence for the intrinsic origin of the unconventional AHE in Cr 2 Te 3 and further establish self-intercalation as a control knob for engineering AHE in complex magnets.

2D magnets↗

Janus skyrmion: Interfacial quasiparticle with two-faced helicity

Janus particles are functional particles with at least two surfaces showing asymmetric properties. Here, we show at the interface between two magnetic regions with different antisymmetric exchange interactions, an alternative species of two-dimensional topological quasiparticles can emerge, in which different helicity structures can coexist. We name such an interfacial quasiparticle a “Janus skyrmion,” in analogy to the Janus particle. As the Janus skyrmion shows helicity asymmetry, its size could vary with both the in-plane and out-of-plane magnetic fields. A vertical spin current could drive the Janus skyrmion into one-dimensional motion along the interface without showing the skyrmion Hall effect, at a speed which depends on both the in-plane spin-polarization direction and current density. Thermal fluctuations could also lead to one-dimensional random walk of a Brownian Janus skyrmion. This work uncovers unique dynamics intrinsic to interfacial quasiparticles with exotic helicity, which may be realized in interface-engineered magnetic layers.

36 MATERIALS SCIENCE↗

Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties

Machine-readable chemical structure representations are foundational in all attempts to harness machine learning for the prediction of reactivities, selectivities, and chemical properties directly from molecular structure. The featurization of discrete chemical structures into a continuous vector space is a critical phase undertaken before model selection, and the development of new ways to quantitatively encode molecules is an active area of research. Here, we highlight the application and suitability of different representations, from expert-guided “engineered” descriptors to automatically “learned” features, in different prediction tasks relevant to organic and organometallic chemistry, where differing amounts of training data are available. These tasks include statistical models of stereo- and enantioselectivity, thermochemistry, and kinetics developed using experimental and quantum chemical data. The use of expert-guided molecular descriptors provides an opportunity to incorporate chemical knowledge, domain expertise, and physical constraints into statistical modeling. In applications to stereoselective organic and organometallic catalysis, where data sets may be relatively small and 3D-geometries and conformations play an important role, mechanistically informed features can be used successfully to obtain predictive statistical models that are also chemically interpretable. We provide an overview of several recent applications of this approach to obtain quantitative models for reactivity and selectivity, where topological descriptors, quantum mechanical calculations of electronic and steric properties, along with conformational ensembles, all feature as essential ingredients of the molecular representations used. Alternatively, more flexible, general-purpose molecular representations such as attributed molecular graphs can be used with machine learning approaches to learn the complex relationship between a structure and prediction target. This approach has the potential to out-perform more traditional representation methods such as “hand-crafted” molecular descriptors, particularly as data set sizes grow. One area where this is particularly relevant is in the use of large sets of quantum mechanical data to train quantitative structure–property relationships. A general approach toward curating useful data sets and training highly accurate graph neural network models is discussed in the context of organic bond dissociation enthalpies, where this strategy outperforms regression using precomputed descriptors. Finally, we describe how graph neural network predictions can be incorporated into mechanistically informed statistical models of chemical reactivity and selectivity. Once trained, this approach avoids the expensive computational overhead associated with quantum mechanical calculations, while maintaining chemical interpretability. We illustrate examples for which fast predictions of bond dissociation enthalpy and of the identities of radicals formed through cleavage of a molecule’s weakest bond are used in simple physical models of site-selectivity and reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nonmonotonic Band Flattening near the Magic Angle of Twisted Bilayer MoTe 2

Twisted bilayer MoTe 2 (tMoTe 2 ) is an emergent platform for exploring exotic quantum phases driven by the interplay between nontrivial band topology and strong electron correlations. Direct experimental access to its momentum-resolved electronic structure is essential for uncovering the microscopic origins of the correlated topological phases therein. Here, we report angle-resolved photoemission spectroscopy measurements of tMoTe 2 , revealing pronounced twist-angle-dependent band reconstruction shaped by orbital character, interlayer coupling, and moiré potential modulation. Density functional theory captures the qualitative evolution, yet underestimates key energy scales across twist angles, highlighting the importance of electronic correlations. Notably, the hole effective mass at the 𝐾 point exhibits a nonmonotonic dependence on twist angle, peaking near 2°, consistent with band flattening at the magic angle predicted by continuum models. Via electrostatic gating and surface dosing, we further visualize the evolution of electronic structure versus doping, enabling direct observation of the conduction band minimum and confirm tMoTe 2 as a direct band gap semiconductor. These results establish a spectroscopic foundation for modeling and engineering emergent quantum phases in this moiré platform.

2D materials↗

INTEGRATE - Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements

The INTEGRATE (Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements) project is developing a new inverse-design capability for the aerodynamic design of wind turbine rotors using invertible neural networks. This AI-based design technology can capture complex non-linear aerodynamic effects while being 100 times faster than design approaches based on computational fluid dynamics. This project enables innovation in wind turbine design by accelerating time to market through higher-accuracy early design iterations to reduce the levelized cost of energy. INVERTIBLE NEURAL NETWORKS Researchers are leveraging a specialized invertible neural network (INN) architecture along with the novel dimension-reduction methods and airfoil/blade shape representations developed by collaborators at the National Institute of Standards and Technology (NIST) learns complex relationships between airfoil or blade shapes and their associated aerodynamic and structural properties. This INN architecture will accelerate designs by providing a cost-effective alternative to current industrial aerodynamic design processes, including: - Blade element momentum (BEM) theory models: limited effectiveness for design of offshore rotors with large, flexible blades where nonlinear aerodynamic effects dominate - Direct design using computational fluid dynamics (CFD): cost-prohibitive - Inverse-design models based on deep neural networks (DNNs): attractive alternative to CFD for 2D design problems, but quickly overwhelmed by the increased number of design variables in 3D problems AUTOMATED COMPUTATIONAL FLUID DYNAMICS FOR TRAINING DATA GENERATION - MERCURY FRAMEWORK The INN is trained on data obtained using the University of Marylands (UMD) Mercury Framework, which has with robust automated mesh generation capabilities and advanced turbulence and transition models validated for wind energy applications. Mercury is a multi-mesh paradigm, heterogeneous CPU-GPU framework. The framework incorporates three flow solvers at UMD, 1) OverTURNS, a structured solver on CPUs, 2) HAMSTR, a line based unstructured solver on CPUs, and 3) GARFIELD, a structured solver on GPUs. The framework is based on Python, that is often used to wrap C or Fortran codes for interoperability with other solvers. Communication between multiple solvers is accomplished with a Topology Independent Overset Grid Assembler (TIOGA). NOVEL AIRFOIL SHAPE REPRESENTATIONS USING GRASSMAN SPACES We developed a novel representation of shapes which decouples affine-style deformations from a rich set of data-driven deformations over a submanifold of the Grassmannian. The Grassmannian representation as an analytic generative model, informed by a database of physically relevant airfoils, offers (i) a rich set of novel 2D airfoil deformations not previously captured in the data , (ii) improved low-dimensional parameter domain for inferential statistics informing design/manufacturing, and (iii) consistent 3D blade representation and perturbation over a sequence of nominal shapes. TECHNOLOGY TRANSFER DEMONSTRATION - COUPLING WITH NREL WISDEM Researchers have integrated the inverse-design tool for 2D airfoils (INN-Airfoil) into WISDEM (Wind Plant Integrated Systems Design and Engineering Model), a multidisciplinary design and optimization framework for assessing the cost of energy, as part of tech-transfer demonstration. The integration of INN-Airfoil into WISDEM allows for the design of airfoils along with the blades that meet the dynamic design constraints on cost of energy, annual energy production, and the capital costs. Through preliminary studies, researchers have shown that the coupled INN-Airfoil + WISDEM approach reduces the cost of energy by around 1% compared to the conventional design approach. This page will serve as a place to easily access all the publications from this work and the repositories for the software developed and released through this pr...

aerodynamics↗

Macro Analysis to Estimate Electric Vehicles Fast-Charging Infrastructure Requirements in Small Urban Areas

Electric vehicles (EVs) are known to reduce emissions and fossil fuel dependency. However, the limited range, long charging time, and inadequate charging infrastructure have hampered the adoption of EVs. The current EV charging infrastructure planning studies and tools require detailed information, extensive resources, and skills that can be a significant barrier to urban areas for finding the required charging infrastructure to support a targeted EV market share. This study generates regression models to estimate the number of direct current fast charging stations and the chargers to support the EV charging demand for urban areas. These models provide macro-level estimates of the required infrastructure investment in urban areas, which can be easily implemented by policy-makers and city planners. This study incorporates data obtained from applying a disaggregate optimization-based charger placement model, developed recently by the same authors, for multiple case studies to generate the required data to calibrate the macro-level models, in the state of Michigan. This simulated data set includes the number of charging stations and chargers for each market share, technology advancement scenario, and the transportation network topology. The results show that the number of charging stations reduces with battery size and charging power and increases with EV market share and the road network lane length. The number of chargers reduces with charging power, whereas it increases with battery size, EV market share, and vehicle miles traveled in the system. The model developed here can be applied to any state having urban characteristics and weather conditions similar to Michigan.

Engineering↗

A Review of Diagnostic Techniques for ISHM Applications

System diagnosis is an integral part of any Integrated System Health Management application. Diagnostic applications make use of system information from the design phase, such as safety and mission assurance analysis, failure modes and effects analysis, hazards analysis, functional models, fault propagation models, and testability analysis. In modern process control and equipment monitoring systems, topological and analytic , models of the nominal system, derived from design documents, are also employed for fault isolation and identification. Depending on the complexity of the monitored signals from the physical system, diagnostic applications may involve straightforward trending and feature extraction techniques to retrieve the parameters of importance from the sensor streams. They also may involve very complex analysis routines, such as signal processing, learning or classification methods to derive the parameters of importance to diagnosis. The process that is used to diagnose anomalous conditions from monitored system signals varies widely across the different approaches to system diagnosis. Rule-based expert systems, case-based reasoning systems, model-based reasoning systems, learning systems, and probabilistic reasoning systems are examples of the many diverse approaches ta diagnostic reasoning. Many engineering disciplines have specific approaches to modeling, monitoring and diagnosing anomalous conditions. Therefore, there is no "one-size-fits-all" approach to building diagnostic and health monitoring capabilities for a system. For instance, the conventional approaches to diagnosing failures in rotorcraft applications are very different from those used in communications systems. Further, online and offline automated diagnostic applications are integrated into an operations framework with flight crews, flight controllers and maintenance teams. While the emphasis of this paper is automation of health management functions, striking the correct balance between automated and human-performed tasks is a vital concern.

Patterson-Hine, Ann↗

Generalized symmetries of nonsupersymmetric orbifolds

We determine generalized symmetries for 4D theories engineered via type II strings on nonsupersymmetric orbifold backgrounds ℝ 3,1 × ℝ 6 /Γ. Probe branes detect generalized symmetries via the adjacency matrix for fermionic degrees of freedom in an associated quiver gauge theory. In situations where the tachyons are sequestered away from the boundary 𝑆 5 /Γ, this exactly matches the result extracted from singular homology. In situations with an unsequestered tachyon which stretches out to the boundary, the presence of tachyonic pulses partitions up the space into several distinct sectors, and the net contribution again matches with the answer expected via quiver methods. For IIA backgrounds, the presence of a localized closed string tachyon leads to transitions in the spectrum of states, generalized symmetries, higher-group symmetries, as well as the level matrix of the associated symmetry topological field theory (SymTFT). For IIB backgrounds with a stack of spacetime filling probe D3-branes, the onset of a radiatively generated potential leads to similar considerations involving scale dependent transitions in the symmetries of the theory, including structures such as duality defects/interfaces.

compactification↗

Notes on Bayliss Taper for Monopulse Radar

A radar system’s antenna characteristics are fundamental to its performance. A principal defining feature of an antenna’s performance are its often problematic sidelobes. Often in monopulse antenna topologies, the emphasis has been on the sum channel sidelobes at the expense of difference channel sidelobes. Edward Bayliss published a paper detailing a design procedure for managing the difference channel sidelobes. The resulting aperture taper now is identified by his name. This report analyzes his taper derivation, and resulting performance attributes, after which some implementation comments are rendered.

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The impact of G-quadruplex dynamics on inter-tetrad electronic couplings: a hybrid computational study

The G-quadruplex is a fascinating nucleic acid motif with implications in biology, medicine, and nanotechnologies. G-quadruplexes can form in the telomeres at the edges of chromosomes and in other guanine-rich regions of the genome. They can also be engineered for exploitation as biological materials for nanodevices. Their higher stiffness and higher charge transfer rates make them better candidates in nanodevices than duplex DNA. For the development of molecular nanowires, it is important to optimize electron transport along the wire axis. One powerful basis to do so is by manipulating the structure, based on known effects that structural changes have on electron transport. Here, for this work, we investigate such effects, by a combination of classical simulations of the structure and dynamics and quantum calculations of electronic couplings. We find that this structure–function relationship is complex. A single helix shape parameter alone does not embody such complexity, but rather a combination of distances and angles between stacked bases influences charge transfer efficiency. By analyzing linear combinations of shape descriptors for different topologies, we identify the structural features that most affect charge transfer efficiency. We discuss the transferability of the proposed model and the limiting effects of inherent flexibility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-performance mass storage system for workstations

Reduced Instruction Set Computer (RISC) workstations and Personnel Computers (PC) are very popular tools for office automation, command and control, scientific analysis, database management, and many other applications. However, when using Input/Output (I/O) intensive applications, the RISC workstations and PC's are often overburdened with the tasks of collecting, staging, storing, and distributing data. Also, by using standard high-performance peripherals and storage devices, the I/O function can still be a common bottleneck process. Therefore, the high-performance mass storage system, developed by Loral AeroSys' Independent Research and Development (IR&D) engineers, can offload a RISC workstation of I/O related functions and provide high-performance I/O functions and external interfaces. The high-performance mass storage system has the capabilities to ingest high-speed real-time data, perform signal or image processing, and stage, archive, and distribute the data. This mass storage system uses a hierarchical storage structure, thus reducing the total data storage cost, while maintaining high-I/O performance. The high-performance mass storage system is a network of low-cost parallel processors and storage devices. The nodes in the network have special I/O functions such as: SCSI controller, Ethernet controller, gateway controller, RS232 controller, IEEE488 controller, and digital/analog converter. The nodes are interconnected through high-speed direct memory access links to form a network. The topology of the network is easily reconfigurable to maximize system throughput for various applications. This high-performance mass storage system takes advantage of a 'busless' architecture for maximum expandability. The mass storage system consists of magnetic disks, a WORM optical disk jukebox, and an 8mm helical scan tape to form a hierarchical storage structure. Commonly used files are kept in the magnetic disk for fast retrieval. The optical disks are used as archive media, and the tapes are used as backup media. The storage system is managed by the IEEE mass storage reference model-based UniTree software package. UniTree software will keep track of all files in the system, will automatically migrate the lesser used files to archive media, and will stage the files when needed by the system. The user can access the files without knowledge of their physical location. The high-performance mass storage system developed by Loral AeroSys will significantly boost the system I/O performance and reduce the overall data storage cost. This storage system provides a highly flexible and cost-effective architecture for a variety of applications (e.g., realtime data acquisition with a signal and image processing requirement, long-term data archiving and distribution, and image analysis and enhancement).

Chiang, T.↗

Topological effects on separation of alkane isomers in metal–organic frameworks

Polymorphism in metal–organic frameworks (MOFs) means that the same chemical building blocks (nodes and linkers) can be used to construct isomeric MOFs with different topological networks. The choice of topology can substantially impact the pore network of the MOF, changing the sizes and shapes of the pores, which has implications for adsorption and separation applications. Here, we look at the influence of topology in 38 polymorphic MOFs on the separation of linear and branched C4–C6 alkane isomers, a separation of great importance to the petrochemical industry. We find that the MOF Cu 2 (1,4-benzenedicarboxylate) in nbo topology (nbo-Cu 2 BDC) has particularly high affinity for linear alkanes due to its small pore size, which excludes the branched isomers. Upon studying this MOF in further detail, we find that it can take either of two conformations: a cubic conformation, which is typical of nbo MOFs, and a unique star conformation that contains 1D triangular and hexagonal channels. The determination of which conformation the MOF will adopt depends on steric effects between the nodes and linkers.

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