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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 145 records · Page 8

Input specific neural networks

Neural networks have emerged as powerful tools for mapping between inputs and outputs. However, their black-box nature limits the ability to encode or impose specific structural relationships between inputs and outputs. Many scientific and engineering problems, such as constitutive modeling in solid mechanics, require networks that can enforce convexity, monotonicity, or other structural constraints to ensure physical consistency. Here, we introduce the Input Specific Neural Network (ISNN), a new architecture that enables multiple, distinct constraints to be imposed on different input subsets for scalar-valued outputs. This framework unifies convex, monotone–convex, monotone, and arbitrary mappings within a single network for the first time. Two ISNN architectures with analytical first- and second-order derivatives are developed. We demonstrate the performance on synthetic toy problems, inverse problems in isotropic hyperelasticity, and finite element simulations. ISNNs achieve improved extrapolation behavior, require fewer invariant inputs than standard input convex networks for polyconvex potentials, and enable significant computational savings via manual differentiation. We also show how ISNNs can be used to learn structural relationships between inputs and outputs via a binary gating mechanism. Particularly, ISNNs are employed to model a homogenized anisotropic free energy potential in a decoupled multiscale setting. The network learns whether or not the potential should be modeled as polyconvex and retains only the relevant layers while using the minimum number of inputs. ISNNs provide a flexible foundation for embedding structural priors into neural networks, enhancing both interpretability and stability. They are broadly applicable across computational mechanics and other scientific domains requiring constrained functional relationships.

Jadoon, Asghar A. [Univ. of Texas, Austin, TX (Uni↗

Solar Coronal Heating and the Magnetic Flux Content of the Network

We investigate the heating of the quiet corona by measuring the increase of coronal luminosity with the amount of magnetic flux in the underlying network at solar minimum when there were no active regions on the face of the Sun. The coronal luminosity is measured from Fe IX/X-Fe XII pairs of coronal images from SOHO/EIT. The network magnetic flux content is measured from SOHO/MDI magnetograms. We find that the luminosity of the corona in our quiet regions increases roughly in proportion to the square root of the magnetic flux content of the network and roughly in proportion to the length of the perimeter of the network magnetic flux clumps. From (1) this result, (2) other observations of many fine-scale explosive events at the edges of network flux clumps, and (3) a demonstration that it is energetically feasible for the heating of the corona in quiet regions to be driven by explosions of granule-sized sheared-core magnetic bipoles embedded in the edges of network flux clumps, we infer that in quiet regions that are not influenced by active regions the corona is mainly heated by such magnetic activity in the edges of the network flux clumps. Our observational results together with our feasibility analysis allow us to predict that (1) at the edges of the network flux clumps there are many transient sheared-core bipoles of the size and lifetime of granules and having transverse field strengths greater than approximately - 100 G, (2) approximately 30 of these bipoles are present per supergranule, and (3) most spicules are produced by explosions of these bipoles.

Moore, R. L.↗

Solar Coronal Heating and the Magnetic Flux Content of the Network

We investigate the heating of the quiet corona by measuring the increase of coronal luminosity with the amount of magnetic flux in the underlying network at solar minimum when there were no active regions on the face of the Sun. The coronal luminosity is measured from Fe IX/X-Fe XII pairs of coronal images from SOHO/EIT. The network magnetic flux content is measured from SOHO/MDI magnetograms. We find that the luminosity of the corona in our quiet regions increases roughly in proportion to the square root of the magnetic flux content of the network and roughly in proportion to the length of the perimeter of the network magnetic flux clumps. From (1) this result, (2) other observations of many fine-scale explosive events at the edges of network flux clumps, and (3) a demonstration that it is energetically feasible for the heating of the corona in quiet regions to be driven by explosions of granule-sized sheared-core magnetic bipoles embedded in the edges of network flux clumps, we infer that in quiet regions that are not influenced by active regions the corona is mainly heated by such magnetic activity in the edges of the network flux clumps. Our observational results together with our feasibility analysis allow us to predict that (1) at the edges of the network flux clumps there are many transient sheared-core bipoles of the size and lifetime of granules and having transverse field strengths > approx. 100 G, (2) approx. 30 of these bipoles are present per supergranule, and (3) most spicules are produced by explosions of these bipoles.

Falconer, D. A.↗

TEMPEST

This repository solves the problem of driver identification through vehicular and biometric data. Through an embedding-based approach and a novel loss function, we're able to distinguish between different drivers' behaviors. This also provides preprocessing for reproducibility of results.The code preprocesses vehicular data, trains neural networks, and outputs predictions.This code introduces a novel embedding-based neural network with a 91% rank-1 accuracy, as well as all code to reproduce training and results.

Musgrove, Kyle↗

Low-cost embedded optical sensing systems for distribution transformer monitoring

There is a mounting need for low-cost monitoring with online sensing technologies to maintain grid reliability and uptime. Here we introduce an innovative low-cost, embedded optical sensing technology initially focused on transformers that was developed and demonstrated at a major electric utility, Con Edison. A version of it that can be retrofitted onto existing transformers in the field was also developed. Two new 500 kVA distribution network transformers were built with embedded fiber-optic (FO) sensors and qualified per industry standards. Vibration, temperature, and corrosion were key parameters monitored. The first transformer with embedded FO sensors was installed at a Con Edison facility and monitored at our team’s office. The second one was installed in an urban street-side underground location with online data processing/feature extraction algorithms and monitored through a wireless router. Additionally, an older transformer was also retrofitted. Data analysis was done on these transformers showing promising correlations with their corresponding loading cycles. Furthermore, key events such as the transformer primary-side energizing, and other events were detected. In general, the technology was demonstrated over 6 months across the 3 transformers instrumented with promising results. Thus, it has the potential to enable predictive maintenance for transformers and other grid assets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Bimetallic NiCo boride nanoparticles confined in a MXene network enable efficient ambient ammonia electrosynthesis

Ambient electrocatalytic nitrogen fixation is an emerging technology for green ammonia synthesis, but the absence of optimized, stable and performant catalysts can render its practical application challenging. Herein, bimetallic NiCo boride nanoparticles confined in MXene are shown to accomplish high-performance nitrogen reduction electrolysis. Taking advantage of the synergistic effect in specific compositions with unique electronic d and p orbits and typical architecture of rich nanosized particles embedded in the interconnected conductive network, the synthesized MXene@NiCoB composite demonstrates extensive improvements in nitrogen molecule chemisorption, active area exposure and charge transport. As a result, optimal NH 3 yield rate of 38.7 μg h -1 mgcat. -1 and Faradaic efficiency of 6.92% are acquired in 0.1 M Na 2 SO 4 electrolyte. Moreover, the great catalytic performance can be almost entirely maintained in the cases of repeatedly-cycled and long-term electrolysis. Theoretical investigations reveal that the nitrogen reduction reaction on MXene@NiCoB catalyst proceeds according to the distal pathway, with a distinctly-reduced energy barrier relative to the Co 2 B counterpart. In conclusion, this work may inspire a new route towards the rational catalyst design for the nitrogen reduction reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shot-noise in resistive-diode mixers and the attenuator noise model

The representation of a pumped exponential diode, operating as a mixer, by an equivalent lossy network, is reexamined. It is shown that the model is correct provided the network has ports for all sideband frequencies at which (real) power flow can occur between the diode and its embedding. The temperature of the equivalent network is eta/2 times the physical temperature of the diode. The model is valid only if the series resistance and nonlinear capacitance of the diode are negligible. Expressions are derived for the input and output noise temperature and the noise-temperature ratio of ideal mixers. Some common beliefs concerning noise-figure and noise-temperature ratio are shown to be incorrect.

Kerr, A. R.↗

Learning nuclear cross sections across the chart of nuclides with graph neural networks

We explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime. Our approach follows a two-stage learning framework. First, we apply representation learning to encode cross section data into a latent space using either variational autoencoders (VAEs) or implicit neural representations (INRs). Then, we train graph neural networks (GNNs) on the resulting embeddings to predict missing values across the nuclear chart by leveraging the topological structure of neighboring isotopes. We demonstrate accurate cross section predictions within a 9 × 9 block of missing nuclei. We also find that the optimal GNN training strategy depends on the type of latent representation used, with VAE embeddings performing best under end-to-end optimization in the original space, while INR embeddings achieve better results when the GNN is trained only in the latent space. Furthermore, using clustering algorithms, we map groups of latent vectors into regions of the nuclear chart and show that VAEs and INRs can discover some of the neutron magic numbers. These findings suggest that deep-learning models based on the representation encoding of cross sections combined with graph neural networks hold significant potential in augmenting nuclear theory models, e.g., by providing reliable estimates of covariances of cross sections, including cross-material covariances.

Machine learning↗

Real Time Mars Approach Navigation Aided by the Mars Network

A NASA Mars technology project is described that is building a prototype embedded real time Mars approach navigation capability which can be hosted on the Mars Network's Electra transceiver. The paper motivates the reason for doing real time Mars approach navigation via a set of analyses demonstrating its utility for enabling Mars pin-point landing (< 1-km landing error). The development approach, software design, and test results are discussed. Finally, the way forward towards a flight demonstration on the Mars Science Laboratory is presented.

embedded software↗

Estimating Interplanetary Magnetic Field Conditions at Mercury's Orbit From MESSENGER Magnetosheath Observations Using a Feedforward Neural Network

Abstract Mercury's small magnetosphere is embedded in the dynamic and intense solar wind environment characteristic of the inner heliosphere. Both the magnitude and orientation of the interplanetary magnetic field (IMF) significantly influence the solar wind‐magnetospheric interaction at Mercury, driving phenomena such as magnetic reconnection. The MErcury Surface, Space Environment, Geochemistry and Ranging (MESSENGER) spacecraft provided in‐situ magnetic field measurements of the solar wind, the magnetosheath, and the magnetosphere along each orbit. However, it is a challenge to directly assess the IMF's impact on Mercury's plasma environment due to the temporal separation between observations within the solar wind and the magnetosphere, especially in the absence of an upstream monitor. Here, we present a feedforward neural network (FNN) trained on a subset of magnetosheath observations to estimate the strength and orientation of the IMF upstream of the bow shock. Utilizing magnetosheath magnetic field, cylindrical spatial coordinates, and heliocentric distance measurements, the FNN predicts upstream IMF conditions with an score of 0.70 and mean averaged error of 5.3 nT, thereby greatly decreasing the temporal separation between IMF estimates and magnetospheric measurements throughout the MESSENGER mission. This approach yields IMF estimates for all magnetosheath data measured by MESSENGER, providing a useful tool for future investigations of the IMF impact on Mercury's magnetosphere. This method will be integrable with the dual‐spacecraft BepiColombo magnetosheath measurements, providing useful estimates of upstream IMF conditions particularly during the extended periods in which neither spacecraft sample the solar wind. Our results demonstrate the utility of machine learning techniques on advancing space science research.

Bowers, Charles F.↗

Soft, malleable double diamond twin

A twin boundary (TB) is a common low energy planar defect in crystals including those with the atomic diamond structure (C, Si, Ge, etc.). We study twins in a self-assembled soft matter block copolymer (BCP) supramolecular crystal having the double diamond (DD) structure, consisting of two translationally shifted, interpenetrating diamond networks of the minority polydimethyl siloxane block embedded in a polystyrene block matrix. The coherent, low energy, mirror-symmetric double tubular network twin has one minority block network with its nodes offset from the (222) TB plane, while nodes of the second network lie in the plane of the boundary. The offset network, although at a scale about a factor of 10 3 larger, has precisely the same geometry and symmetry as a (111) twin in atomic single diamond where the tetrahedral units spanning the TB retain nearly the same strut (bond) lengths and strut (bond) angles as in the normal unit cell. In DD, the second network undergoes a dramatic restructuring—the tetrahedral nodes transform into two new types of mirror-symmetric nodes (pentahedral and trihedral) which alternate and link to form a hexagonal mesh in the plane of the TB. The collective reorganization of the supramolecular packing highlights the hierarchical structure of ordered BCP phases and emphasizes the remarkable malleability of soft matter.

36 MATERIALS SCIENCE↗

Spacecraft Solar Sails Containing Electrodynamic Tethers

A report discusses a proposal to use large, lightweight solar sails embedded with electrodynamic tethers (essentially, networks of wires) to (1) propel robotic spacecraft to distant planets, then (2) exploit the planetary magnetic fields to capture the spacecraft into orbits around the planets. The purpose of the proposal is, of course, to make it possible to undertake long interplanetary missions without incurring the large cost and weight penalties of conventional rocket-type propulsion systems. Through transfer of momentum from reflected solar photons, a sail would generate thrust outward from the Sun. Upon arrival in the vicinity of a planet, the electrodynamic tethers would be put to use: Motion of the spacecraft across the planetary magnetic field would induce electric currents in the tether wires, giving rise to an electromagnetic drag force that would be exploited to brake the spacecraft for capture into orbit. The sail with embedded tethers would be made to spin to provide stability during capture. Depending upon the requirements of a particular application, it could be necessary to extend the tether to a diameter greater than that of the sail.

Johnson, Les↗

The LSST AGN Data Challenge: Selection Methods

Abstract Development of the Rubin Observatory Legacy Survey of Space and Time (LSST) includes a series of Data Challenges (DCs) arranged by various LSST Scientific Collaborations that are taking place during the project's preoperational phase. The AGN Science Collaboration Data Challenge (AGNSC-DC) is a partial prototype of the expected LSST data on active galactic nuclei (AGNs), aimed at validating machine learning approaches for AGN selection and characterization in large surveys like LSST. The AGNSC-DC took place in 2021, focusing on accuracy, robustness, and scalability. The training and the blinded data sets were constructed to mimic the future LSST release catalogs using the data from the Sloan Digital Sky Survey Stripe 82 region and the XMM-Newton Large Scale Structure Survey region. Data features were divided into astrometry, photometry, color, morphology, redshift, and class label with the addition of variability features and images. We present the results of four submitted solutions to DCs using both classical and machine learning methods. We systematically test the performance of supervised models (support vector machine, random forest, extreme gradient boosting, artificial neural network, convolutional neural network) and unsupervised ones (deep embedding clustering) when applied to the problem of classifying/clustering sources as stars, galaxies, or AGNs. We obtained classification accuracy of 97.5% for supervised models and clustering accuracy of 96.0% for unsupervised ones and 95.0% with a classic approach for a blinded data set. We find that variability features significantly improve the accuracy of the trained models, and correlation analysis among different bands enables a fast and inexpensive first-order selection of quasar candidates.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Actinium–DOTA coordination in water from hybrid ML/MM: Structure, free energies, and water-exchange pathways

Quantitative simulation of trivalent ƒ-block chelates in water remains challenging because bonded and non-bonded force-field models make different approximations for coordination structure, exchange dynamics, and ion–ligand interactions in highly charged systems. Here, we develop a hybrid machine-learning/molecular-mechanics (ML/MM) framework for Ac 3+ –DOTA in explicit solvent by training an E(3)-equivariant neural network potential (MACELES) on mechanically embedded QM/MM data for Ac aquo and Ac–DOTA species and coupling it to NAMD 2.14 with particle-mesh Ewald electrostatics. Nanosecond ML/MM trajectories remain numerically stable and preserve chelate integrity, yielding a compact DOTA inner shell with an inner-sphere water coordination number of CN Ac,O w ≈ 1.7 arising from a dynamic equilibrium between one- and two-water states (37.5% and 59.9% of frames; three waters 2.5%). A 5 ns potential of mean force shows two low-lying basins at CN Ac,O w ≈ 1 and CN Ac,O w ≈ 2. DFT end-state free energies are consistent with the ML/MM profile, and DFT minimum-energy paths provide a qualitative electronic-structure reference for the observed basin connectivity. State-resolved kinetics reveal picosecond water-exchange pathways that couple hydration changes to transient DOTA arm fluctuations, and training-set comparisons show that temperature-matched Ac–DOTA data optimize energy/force accuracy while more diverse solvated data improve charge prediction. Overall, the present hybrid ML/MM model provides a practical description of Ac 3+ –DOTA hydration thermodynamics and short-time exchange behavior in explicit water at MD-like cost.

Actinium↗

A Self-Healing, Flowable, Yet Solid Electrolyte Suppresses Li-Metal Morphological Instabilities

In this article, lithium metal (Li 0 ) solid-state batteries encounter implementation challenges due to dendrite formation, side reactions, and movement of the electrode–electrolyte interface in cycling. Notably, voids and cracks formed during battery fabrication/operation are hot spots for failure. Here, a self-healing, flowable yet solid electrolyte composed of mobile ceramic crystals embedded in a reconfigurable polymer network is reported. This electrolyte can auto-repair voids and cracks through a two-step self-healing process that occurs at a fast rate of 5.6 µm h -1 . A dynamical phase diagram is generated, showing the material can switch between liquid and solid forms in response to external strain rates. The flowability of the electrolyte allows it to accommodate the electrode volume change during Li 0 stripping. Simultaneously, the electrolyte maintains a solid form with high tensile strength (0.28 MPa), facilitating the regulation of mossy Li 0 deposition. The chemistries and kinetics are studied by operando synchrotron X-ray and in situ transmission electron microscopy (TEM). Solid-state NMR reveals a dual-phase ion conduction pathway and rapid Li + diffusion through the stable polymer-ceramic interphase. This designed electrolyte exhibits extended cycling life in Li 0 –Li 0 cells, reaching 12 000 h at 0.2 mA cm -2 and 5000 h at 0.5 mA cm -2 . Furthermore, owing to its high critical current density of 9 mA cm -2 , the Li 0 –LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) full cell demonstrates stable cycling at 5 mA cm -2 for 1100 cycles, retaining 88% of its capacity, even under near-zero stack pressure conditions.

25 ENERGY STORAGE↗

Scalable algorithms for physics-informed neural and graph networks

Physics-informed machine learning (PIML) has emerged as a promising new approach for simulating complex physical and biological systems that are governed by complex multiscale processes for which some data are also available. In some instances, the objective is to discover part of the hidden physics from the available data, and PIML has been shown to be particularly effective for such problems for which conventional methods may fail. Unlike commercial machine learning where training of deep neural networks requires big data, in PIML big data are not available. Instead, we can train such networks from additional information obtained by employing the physical laws and evaluating them at random points in the space–time domain. Such PIML integrates multimodality and multifidelity data with mathematical models, and implements them using neural networks or graph networks. Here, we review some of the prevailing trends in embedding physics into machine learning, using physics-informed neural networks (PINNs) based primarily on feed-forward neural networks and automatic differentiation. For more complex systems or systems of systems and unstructured data, graph neural networks (GNNs) present some distinct advantages, and here we review how physics-informed learning can be accomplished with GNNs based on graph exterior calculus to construct differential operators; we refer to these architectures as physics-informed graph networks (PIGNs). We present representative examples for both forward and inverse problems and discuss what advances are needed to scale up PINNs, PIGNs and more broadly GNNs for large-scale engineering problems.

42 ENGINEERING↗

E(n)-Equivariant cartesian tensor message passing interatomic potential

Machine learning potential (MLP) has been a popular topic in recent years for its capability to replace expensive first-principles calculations in some large systems. Meanwhile, message passing networks have gained significant attention due to their remarkable accuracy, and a wave of message passing networks based on Cartesian coordinates has emerged. However, the information of the node in these models is usually limited to scalars, and vectors. In this work, we propose High-order Tensor message Passing interatomic Potential (HotPP), an E(n) equivariant message passing neural network that extends the node embedding and message to an arbitrary order tensor. By performing some basic equivariant operations, high order tensors can be coupled very simply and thus the model can make direct predictions of high-order tensors such as dipole moments and polarizabilities without any modifications. The tests in several datasets show that HotPP not only achieves high accuracy in predicting target properties, but also successfully performs tasks such as calculating phonon spectra, infrared spectra, and Raman spectra, demonstrating its potential as a tool for future research.

97 MATHEMATICS AND COMPUTING↗