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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 253 records · Page 14

Experimental Observations of the Topology of Convolutional Neural Network Activations

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of parameters associated with a series of transformations defined by the model architecture resulting in high-dimensional, difficult to interpret internal representations of input data. As DNNs become more ubiquitous across multiple sectors of our society, there is increasing recognition that mathematical methods are needed to aid analysts, researchers, and practitioners in understanding and interpreting how these models' internal representations relate to the final classification. In this paper we apply cutting edge techniques from TDA with the goal of gaining insight towards interpretability of convolutional neural networks used for image classification. We use two common TDA approaches to explore several methods for modeling hidden layer activations as high-dimensional point clouds, and provide experimental evidence that these point clouds capture valuable structural information about the model's process. First, we demonstrate that a distance metric based on persistent homology can be used to quantify meaningful differences between layers and discuss these distances in the broader context of existing representational similarity metrics for neural network interpretability. Second, we show that a mapper graph can provide semantic insight as to how these models organize hierarchical class knowledge at each layer. These observations demonstrate that TDA is a useful tool to help deep learning practitioners unlock the hidden structures of their models.

topological data analysis, deep learning↗

A cross-sectional aeroelastic analysis and structural optimization tool for slender composite structures

A fully open-source available framework for the parametric cross-sectional analysis and design optimization of slender composite structures, such as helicopter or wind turbine blades, is presented. The framework—Structural Optimization and Aeroelastic Analysis (SONATA)—incorporates two structural solvers, the commercial tool VABS, and the novel open-source code ANBA4. SONATA also parameterizes the design inputs, postprocesses and visualizes the results, and generates the structural inputs to a variety of aeroelastic analysis tools. It is linked to the optimization library OpenMDAO. This work presents the methodology and explains the fundamental approaches of SONATA. Structural characteristics were successfully verified for both VABS and ANBA4 using box beam examples from literature, thereby verifying the parametric approach to generating the topology and mesh in a cross section as well as the solver integration. The framework was furthermore exercised by analyzing and evaluating a fully resolved highly flexible wind turbine blade. Computed structural characteristics correlated between VABS and ANBA4, including off-diagonal terms. Stresses, strains, and deformations were recovered from loads derived through coupling with aeroelastic analysis. The framework, therefore, proves effective in accurately analyzing and optimizing slender composite structures on a high-fidelity level that is close to a three-dimensional finite element model.

42 ENGINEERING↗

PCAfold 2.0—Novel tools and algorithms for low-dimensional manifold assessment and optimization

We describe an update to our open-source Python package, PCAfold, designed to help researchers generate, analyze and improve low-dimensional data manifolds. In the current version, PCAfold 2.0, we introduce novel tools and algorithms for assessing and optimizing low-dimensional manifolds. This includes a method that generates a “map” of local feature sizes that can help pinpoint researchers to problematic regions on a manifold. We introduce a novel cost function that characterizes the quality of a manifold topology with a single number. We develop two algorithms for feature selection based on principal component analysis (PCA) that use the cost function as an objective function to minimize. We introduce a quantity of interest (QoI)-aware dimensionality reduction strategy where data projections are computed using an artificial neural network and are directly optimized towards representing various projection-independent and projection-dependent QoIs. We also introduce an implementation of partition of unity networks (POUnets) for efficient reconstruction of QoIs from low-dimensional manifolds based on combining neural network classification with localized polynomial regression. Our software can be broadly applicable in all domains of science and engineering that aim to reduce data dimensionality, as well as in the fundamental research on representation learning.

97 MATHEMATICS AND COMPUTING↗

Diolkos: Improving ethernet throughput through dynamic port selection

In large networked systems, a sudden increase in traffic could slowdown the network significantly, impacting network quality for multiple users. We present Diolkos, a system that leverages smart switches to dynamically re-reroute data flows in response to drops in performance. In contrast to other techniques, our tool predicts the future throughput at each port in a switch if a data flow were to be sent through it, and updates which port should be taken to maximize throughput. We use several techniques to predict network switch performance on a software defined network (SDN) mimicking topologies commonly found in datacenters. Experimentally, we demonstrate the effectiveness of choosing a port to send flows through based on predicted performance. We found that using a distributed predictive technique achieves a 24% improvement over using a traditional heuristic technique.

port selection, performance enhancement, Neural Ne↗

Wellbore Fracture Imaging Using Inflow Detection Measurements

One of the most striking measurements taken during DOE’s EGS Collab project at the 4850-foot depth location was the so-called ‘sewer cam’, which enabled direct visualization of the flow of water into the production well through fractures during the stimulation. The ability to see directly which fractures were flowing and (roughly) how much was a breakthrough in understanding the topology of the created fracture network. Achieving this kind of fracture flow imaging at FORGE would be more challenging because of the 225°C temperature, but equally or even more valuable if it could be achieved. In 2017, a joint project between Sandia and Stanford developed a downhole tool concept to measure the enthalpy of multiphase fluid entering a geothermal well from individual fractures (Gao et al., 2017). For the FORGE project, measuring enthalpy is of less interest because the fluid is expected to be single-phase liquid water. However, the foundation of the device was the measurement of chloride ion concentration, which could form the basis for a direct measurement of inflow from fractures. During the 2017 project, this novel chloride sensing system was implemented into a laboratory test instrument, and we confirmed the capability of the system to measure the ion concentration of fluid entering a model wellbore through a small entry port. The wellbore was a 6-inch diameter model well, and the port was approximately 0.08 inch (2mm) in diameter. The device could measure the chloride concentration accurately even when the well was flowing in a bubbly flow. Given its accuracy, the tool should be able to identify locations of water entering the wellbore even if the ion concentration differs only slightly from that of the water in the well. It is likely that different fractures may flow slightly different chloride concentrations, which would make it feasible to detect individual fractures as well as to estimate the volume of their flow. Ultimately, we could also recognize different fractures flowing back significantly different ion concentrations after fracturing in the FORGE wells. This could be realized by adding different ions in the fracturing fluids in different fractures created at different stages of stimulation (and modifying the tool to include different ion specificity). Sandia’s tool was shown during the study to have the capability to withstand the 225°C temperature, and the electrochemical sensing elements were tested in the laboratory to 225°C at 1500 psia for 24 hours. An early implementation of the fully integrated downhole electrochemical tool, including high-temperature electronics, robust housing, and wireline truck interface, had previously been constructed and tested successfully at Sandia; thus, hardware development tasks focused on advancing the technology readiness level (TRL) of this promising technology for FORGE deployment, rather than on developing a new scientific basis for its operation. The data collection electronics in this tool allowed for several other sensors (pressure, temperature, flow spinner) to be implemented in parallel as well. The research was a new collaboration between Stanford and Sandia to modify and refine the tool for FORGE deployment, to make the downhole measurements, and to characterize the evolving fractures.

15 GEOTHERMAL ENERGY↗

Dynamical Generation of Higher-Order Spin-Orbit Coupling, Topology, and Persistent Spin Texture in Light-Irradiated Altermagnets

Altermagnets have been identified as the third category of magnetic materials, exhibiting momentum-dependent spin splitting characterized by even powers of momentum. Here, in this Letter, we show that when subjected to elliptically polarized light, these materials serve as an exemplary framework for the dynamic generation of topological bands featuring higher-order spin-orbit coupling (SOC). Notably, while the generated Zeeman field remains invariant to the particular altermagnetic ordering, the induced higher-order SOCs are related to the magnitude and symmetry of the altermagnetic order. Specifically, we show that an altermagnet exhibiting 𝐤 2⁢𝑛 -spin splitting can generate odd-in-𝐤 spin-orbit couplings up to 𝐤 2⁢𝑛−1 . In the limit of circularly polarized light, the only correction is 𝑘 2⁢𝑛−1 , with all lower-order contributions being nullified. Interestingly, light-induced SOCs significantly impact the low-energy band topology, where their Chern numbers change by Δ⁢𝐶 = ±1, 2, 3 for 𝑑, 𝑔, 𝑖-wave altermagnets. Finally, we find a critical field in which a persistent spin texture is realized, a highly desirable state with predicted infinite spin lifetime. Our Letter showcases light as a powerful, controllable tool for engineering complex and exciting phenomena in altermagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Parallel Simulation of Quantum Networks with Distributed Quantum State Management

Quantum network simulators offer the opportunity to cost-efficiently investigate potential avenues for building networks that scale with the number of users, communication distance, and application demands by simulating alternative hardware designs and control protocols. Several quantum network simulators have been recently developed with these goals in mind. As the size of the simulated networks increases, however, sequential execution becomes time-consuming. Parallel execution presents a suitable method for scalable simulations of large-scale quantum networks, but the unique attributes of quantum information create unexpected challenges. In this work, we identify requirements for parallel simulation of quantum networks and develop the first parallel discrete-event quantum network simulator by modifying the existing serial simulator SeQUeNCe. Our contributions include the design and development of a quantum state manager (QSM) that maintains shared quantum information distributed across multiple processes. We also optimize our parallel code by minimizing the overhead of the QSM and decreasing the amount of synchronization needed among processes. Using these techniques, we observe a speedup of 2 to 25 times when simulating a 1,024-node linear network topology using 2 to 128 processes. We also observe an efficiency greater than 0.5 for up to 32 processes in a linear network topology of the same size and with the same workload. We repeat this evaluation with a randomized workload on a caveman network. We also introduce several methods for partitioning networks by mapping them to different parallel simulation processes. We have released the parallel SeQUeNCe simulator as an open source tool alongside the existing sequential version.

97 MATHEMATICS AND COMPUTING↗

A general unified approach to modelling switching-converter power stages

A method for modeling switching-converter power stages is developed, whose starting point is the unified state-space representation of the switched networks and whose end result is either a complete state-space description or its equivalent small-signal low-frequency linear circuit model. A new canonical circuit model is proposed, whose fixed topology contains all the essential input-output and control properties of any dc-to-dc switching converter, regardless of its detailed configuration, and by which different converters can be characterized in the form of a table conveniently stored in a computer data bank to provide a useful tool for computer aided design and optimization. The new canonical circuit model predicts that, in general, switching action introduces both zeros and poles into the duty ratio to output transfer function in addition to those from the effective filter network.

Middlebrook, R. D.↗

Observation of Persistent Zero Modes and Superconducting Vortex Doublets in UTe 2

Superconducting vortices can reveal electron pairing details and nucleate topologically protected states. Yet, vortices of bulk spin-triplet superconductors have never been visualized at the atomic scale. Recently, UTe 2 has emerged as a prime spin-triplet superconductor, but its superconducting order parameter is elusive, and whether time-reversal symmetry (TRS) is broken remains unsettled. Here, in this work, we visualize vortices on the (011) surface of ultraclean UTe 2 single crystals (T c = 2.1 K) using scanning tunneling microscopy (STM). We introduce $\frac{d^{2}𝐼}{d𝑉^{2}}$ imaging as an effective technique for vortex visualization in superconductors with substantial residual zero-energy density of states (DOS), as in UTe 2 . Anisotropic single-flux-quantum vortices, with coherence lengths of ∼12 nm (4 nm) parallel (perpendicular) to the a -axis, form a triangular vortex lattice (VL) under a small out-of-plane magnetic field. The invariance of vortex structures and VL under changes of field polarity and cooling history strongly supports time-reversal invariant superconductivity under zero field. At vortex cores (VCs), nonsplit, spectrally sharp zero-bias conductance peaks (ZBPs) persist up 8 T that are consistent with symmetry-protected Majorana zero modes (MZMs) in a topological vortex line. Close examination of vortex structures reveals a mirror-asymmetric doublet─one with ZBPs and another with an enhanced apparent gap, possibly originating from a field-induced multicomponent order parameter.

UTe2↗

Singularity classification as a design tool for multiblock grids

A major stumbling block in interactive design of 3-D multiblock grids is the difficulty of visualizing the design as a whole. One way to make this visualization task easier is to focus, at least in early design stages, on an aspect of the grid which is inherently easy to present graphically, and to conceptualize mentally, namely the nature and location of singularities in the grid. The topological behavior of a multiblock grid design is determined by what happens at its edges and vertices. Only a few of these are in any way exceptional. The exceptional behaviors lie along a singularity graph, which is a 1-D construct embedded in 3-D space. The varieties of singular behavior are limited enough to make useful symbology on a graphics device possible. Furthermore, some forms of block design manipulation that appear appropriate to the early conceptual-modeling phase can be accomplished on this level of abstraction. An overview of a proposed singularity classification scheme and selected examples of corresponding manipulation techniques is presented.

Jones, Alan K.↗

Manipulating Ferroelectric Topological Polar Structures with Twisted Light

Abstract The dynamic control of non‐equilibrium states represents a central challenge in condensed matter physics. While intense terahertz fields drive metal‐insulator transitions and ferroelectricity via soft phonon modes, recent theory suggests that twisted light with orbital angular momentum (OAM) offers a distinct route to manipulate ferroelectric order and stabilize topological excitations including skyrmions, vortices, and Hopfions. Control of ferroelectric polarization in quasi‐2D CsBiNb 2 O 7 (CBNO) is demonstrated using non‐resonant twisted ultra‐violet (UV) light (375 nm, 800 THz). Combining in situ X‐ray Bragg coherent diffractive imaging (BCDI), twisted optical Raman spectroscopy, and density functional theory (DFT), three‐dimensional (3D) ionic displacements, strain fields, and polarization changes are resolved in single crystals. Operando measurements reveal light‐induced strain hysteresis under twisted light–a hallmark of nonlinear, history‐dependent ferroelastic switching driven by OAM. Discrete, irreversible domain transitions emerge as the topological charge ℓ is cycled, stabilizing non‐trivial domain textures including vortex‐antivortex pairs, Bloch/anti‐Bloch points, and merons. These persist after OAM removal, indicating a memory effect. Competing mechanisms are discussed, including multiphoton absorption, strain‐mediated polarization switching, and defect‐wall interactions. The findings establish structured light as a tool for deterministic, reversible control of ferroic states, enabling optically reconfigurable non‐volatile devices.

Chemistry↗

Ensemble Manufacturing Techniques for Steam Turbine Components Across Length Scales

Faster design to manufacturing requirements were sought for steam turbine components to meet the changing demands of today’s power grid of improved efficiency through operating temperature increases and enhanced operational flexibility from baseload to cyclic operations. Advances in multiple advanced manufacturing (AM) process enabled redesign of turbine components for extreme environments with the potential to reduce cost. AM is of particular interest to improve component functionality, higher temperature capability, and superior durability in large scale steam turbine applications. AM methods have an immense potential to open-up the design space by working directly with the 3D model to produce near-net shapes, enable fast design-manufacturing iterations, thereby significantly reducing product cost and lead-time up to 25 % from current baseline. However, these benefits cannot be fully realized due to the potential for unknown AM processing defects and their resultant effect upon component performance in service. Siemens is partnering with Oak Ridge National Laboratory (ORNL), Electric Power Research Institute (EPRI), and Connecticut Center for Advanced Technology (CCAT) to advance the knowledge of complex process-material interactions for desired microstructures and properties that are closely interlinked to component geometries across different length scales. The proposed program utilized an ensemble of multidisciplinary technologies to accelerate the development of materials, high-throughput experiments for their qualification, and design flexibility/topology optimization for repair/redesign of components to address critical failure mechanisms for improved performance and increased reliability of existing power plant components. The proposed activities, if successfully demonstrated for identified components, will enable paradigm shift in customized manufacturing and accelerated qualification/certification towards increased steam turbine component durability, increased turbine efficiency, and reduced CO 2 emissions in load-following environments compared to today’s technology. Technology maturation is built into the project as successful research will include customized process-component down-selection enabling AM methodologies to be incorporated directly into the existing supply chain. The specific activities of the proposed effort are: 1. Topology optimization of down-selected steam turbine parts that are amenable to additive and hybrid manufacturing for cost/performance improvement. 2. Process-structure-property relationships for five AM processes for steam turbine materials of interest to compare with conventional materials. 3. Perform part/assembly build process using advanced additive/hybrid machine tools followed by quality inspection of the built components for insight into qualification for production scale-up. Steam turbine rig testing of printed components under targeted, well monitored and characterized environmental conditions of for performance comparison of baseline and redesigned components.

36 MATERIALS SCIENCE↗

Mission-Maps For Outbound Cislunar Transfer Trajectories

This study quantifies the robustness and sensitivity of an outbound cislunar trajectory for a lunar lander in the form of mission-maps, or topological maps that allows either a computer program or mission designer to intuitively optimize the placement of critical outbound correction burns from the derived sensitivity data. The non-linear multi-body dynamics are applied to generate an outbound cislunar reference profile used by a linear covariance analysis (LinCov) tool to compute the expected Δv and trajectory dispersions due to the initial state uncertainty, sensor errors, maneuver execution errors, and disturbance accelerations along the outbound cislunar profile. The rapid performance analysis capabilities of LinCov are complimented with parallel processing techniques to evaluate hundreds and thousands of different translational burn locations, placements, and targeting constraints to identify the combination that minimizes the total Δv usage (nominal plus 3σ Δv) and trajectory dispersions at lunar orbit insertion. This study utilizes a generalized reference targeting algorithm to quickly assess the integrated closed-loop GN&C system performance due to different targeting configurations and constraints. The resulting mission maps provide an intuitive insight to ascertain each trajectory correction maneuver’s (TCM) sensitivity to different burn times along an outbound cislunar trajectory and quickly identify desirable engineering tradeoffs when performing analysis on the number and placement of these burns that nominally zero. Multiple mission maps are generated for a variety of different performance parameters that allow engineers to visually identify optimal solutions for trajectory correction maneuver placements, the number of correction burns, and the targeting constraints for each burn.

GN&C↗

Nuclear recoil detection with color centers in bulk lithium fluoride

We present initial results on the detection of nuclear recoils in lithium fluoride (LiF) through the fluorescence of color centers created by particle interactions in the crystal lattice. Using light-sheet fluorescence microscopy, we image nuclear recoil tracks from both fast and thermal neutron interactions deep within a cubic-centimeter-scale sample. Automated three-dimensional feature extraction based on machine-learning tools enables the identification and classification of individual events. We observe that the fluorescence response of LiF to gamma irradiation is strongly suppressed, by a factor of 30–50 compared to neutron exposure, demonstrating intrinsic insensitivity to electromagnetic backgrounds. The observed and simulated event characteristics are consistent, including their number, size, and topology. These results establish the feasibility of LiF as a scalable detection medium for rare nuclear-recoil events and constitute a first step toward 10–1000 g scale detectors with single-event sensitivity for applications in reactor-neutrino detection, neutron spectroscopy, and dark matter searches.

Aroujo, G R [University of Zurich]↗

Space station common module power system network topology and hardware development

Candidate power system newtork topologies for the space station common module are defined and developed and the necessary hardware for test and evaluation is provided. Martin Marietta's approach to performing the proposed program is presented. Performance of the tasks described will assure systematic development and evaluation of program results, and will provide the necessary management tools, visibility, and control techniques for performance assessment. The plan is submitted in accordance with the data requirements given and includes a comprehensive task logic flow diagram, time phased manpower requirements, a program milestone schedule, and detailed descriptions of each program task.

Landis, D. M.↗

Computational Investigation of Nominally-Orthogonal Pneumatic Active Flow Control for High-Lift Systems

We explore the feasibility of using nominally-orthogonal jets as active aerodynamic load control for multi-element high-lift systems, and whether the nominally-orthogonal jets can offer a variety of performance improvements. These nominally-orthogonal jets inject momentum normal to the airfoil surface near the flap trailing edge, where they create a vortex that entrains flow from the opposing side and change the airfoil circulation. Lift-enhancement opportunities of trailing edge nominally-orthogonal jets have previously been studied by Malavard et al. and Blaylock et al. on single-element airfoils; however, their effect on drag was not thoroughly investigated. In this study, we investigate two- dimensional nominally-orthogonal jet effects on both lift and drag on a two-element airfoil, NLR7301. We utilize Chimera Grid Tools to generate structured curvilinear overset grids, and the Reynolds-averaged Navier-Stokes solver OVERFLOW-2 to solve for the flow field around the airfoil. We perform various computational sensitivity studies on the baseline airfoil without a jet to validate computational results against benchmark experimental data. Using a Chimera overset grid topology, we demonstrate a similar lift-enhancement effect between a nominally-orthogonal jet and a nominally-orthogonal physical tab employed at the same location on the studied airfoil. After we introduce the nominally-orthogonal jet concept, we investigate nominally-orthogonal jets with various momentum coefficient settings, C(sub µ) = 0.00 − 0.04 and present a lift-enhancement relationship ∆C(sub l) ≃ 3.59 (C(sub µ)) for this airfoil. We discuss that utilizing a nominally-orthogonal jet with C(sub µ) = 0.01 can shift the linear region of the lift curve by a ∆C(sub l) = 0.36 for the pressure side jet and by a ∆C(sub l) = −0.27 for the suction side jet. Employing a nominally-orthogonal jet is also shown effective in altering the drag. To study the impact, we carry out a drag decomposition study in the form of drag polars. We show for a given C(sub l) = 2.50, a nominally-orthogonal jet with C(sub µ) = 0.01 on the pressure and suction side of the airfoil results in 113 drag count decrements and 41 drag count increments, respectively, compared to the baseline airfoil with no jet. These results show that large and controllable changes in aerodynamic performance can be achieved by relatively small active flow control inputs using the nominally-orthogonal jets presented in this study.

Nominally-Orthogonal↗

REIMAGINING HEAT EXCHANGERS FOR NEXT GENERATION ENVIRONMENTAL SYSTEMS

Air-to-refrigerant heat exchangers (HXs) are essential components in space conditioning, refrigeration, and power systems, and recent efforts have focused on making these devices more compact, reducing refrigerant charge and lowering manufacturing costs. Historically, HX innovation has been limited by available computational resources, design tools, and manufacturing constraints. The best available technologies utilize tube-fin and micro- or macro-channel tubes with fins, which are not necessarily the optimal designs achievable with current technology. In this paper, we highlight the latest advancements in air-to-refrigerant HXs, specifically emphasizing innovations achieved through shape and topology optimization. A multi-scale design optimization approach is introduced, alongside similar methods in literature, which enable highly sophisticated shape-optimized tube designs with more than 50% reduction in size and 25% reduction in refrigerant charge, essential for A3 refrigerant charge limit compliance. The frameworks integrate traditional heat and mass transfer science with state-of-the-art machine learning, genetic algorithms, and adjoint algorithms to create novel designs. While many of these innovative designs may not be manufacturable using conventional methods, they allow us explore the boundaries of what is possible. These novel air-to-refrigerant HXs are key enablers for ultra-low-refrigerant charge heat pump and refrigeration systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Performance efficient macromolecular mechanics via sub-nanometer shape based coarse graining

Dimensionality reduction via coarse grain modeling is a valuable tool in biomolecular research. For large assemblies, ultra coarse models are often knowledge-based, relying on a priori information to parameterize models thus hindering general predictive capability. Here, we present substantial advances to the shape based coarse graining (SBCG) method, which we refer to as SBCG2. SBCG2 utilizes a revitalized formulation of the topology representing network which makes high-granularity modeling possible, preserving atomistic details that maintain assembly characteristics. Further, we present a method of granularity selection based on charge density Fourier Shell Correlation and have additionally developed a refinement method to optimize, adjust and validate high-granularity models. We demonstrate our approach with the conical HIV-1 capsid and heteromultimeric cofilin-2 bound actin filaments. Our approach is available in the Visual Molecular Dynamics (VMD) software suite, and employs a CHARMM-compatible Hamiltonian that enables high-performance simulation in the GPU-resident NAMD3 molecular dynamics engine.

59 BASIC BIOLOGICAL SCIENCES↗