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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 1,351 records · Page 75

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗

Explicit integration with GPU acceleration for large kinetic networks

We demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. This orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies that important coupled, multiphysics problems in various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Kelvin Probe Force Microscopy Imaging of Plasticity in Hydrogenated Perovskite Nickelate Multilevel Neuromorphic Devices

Ion drift in nanoscale electronically inhomogeneous semiconductors is among the most important mechanisms being studied for designing neuromorphic computing hardware. However, nondestructive imaging of the ion drift in operando devices directly responsible for multiresistance states and synaptic memory represents a formidable challenge. Here, we present Kelvin probe force microscopy imaging of hydrogen-doped perovskite nickelate device channels subject to high-speed electric field pulses to directly visualize proton distribution by monitoring surface potential changes spatially, which is also supported with finite element-based electric field distribution studies. First-principles calculations provide mechanistic insights into the origin of surface potential changes as a function of hydrogen donor doping that serves as the contrast mechanism. We demonstrate 128 (7-bit) nonvolatile conductance levels in such devices relevant to in-memory computing applications. The synaptic plasticity measurements are implemented in spiking neural networks and show promising results for classification (SciKit Learn’s Iris and Wine data sets) and control (OpenAI’s CartPole-v1 and BipedalWalker-v3) simulation tasks.

Kelvin probe force microscopy↗

PETSc DMNetwork: A Library for Scalable Network PDE-Based Multiphysics Simulations

We present DMNetwork, a high-level package included in the PETSc library for the simulation of multiphysics phenomena over large-scale networked systems. The library aims at applications that have networked structures such as those in electrical, gas, and water distribution systems. DMNetwork provides data and topology management, parallelization for multiphysics systems over a network, and hierarchical and composable solvers to exploit the problem structure. DMNetwork eases the simulation development cycle by providing the necessary infrastructure through simple abstractions to define and query the network components. This article presents the design of DMNetwork, illustrates its user interface, and demonstrates its ability to solve multiphysics systems, such as an electric circuit, a network of power grid and water subnetworks, and transient hydraulic systems over large networks with more than 2 billion variables on extreme-scale computers using up to 30,000 processors.

extreme-scale computing↗

Networks for image acquisition, processing and display

The human visual system comprises layers of networks which sample, process, and code images. Understanding these networks is a valuable means of understanding human vision and of designing autonomous vision systems based on network processing. Ames Research Center has an ongoing program to develop computational models of such networks. The models predict human performance in detection of targets and in discrimination of displayed information. In addition, the models are artificial vision systems sharing properties with biological vision that has been tuned by evolution for high performance. Properties include variable density sampling, noise immunity, multi-resolution coding, and fault-tolerance. The research stresses analysis of noise in visual networks, including sampling, photon, and processing unit noises. Specific accomplishments include: models of sampling array growth with variable density and irregularity comparable to that of the retinal cone mosaic; noise models of networks with signal-dependent and independent noise; models of network connection development for preserving spatial registration and interpolation; multi-resolution encoding models based on hexagonal arrays (HOP transform); and mathematical procedures for simplifying analysis of large networks.

Ahumada, Albert J., Jr.↗

Telescience workstation

As part of the Telescience Testbed Pilot Program, the Universities Space Research Association/ Research Institute for Advanced Computer Science (USRA/RIACS) proposed to support remote communication by providing a network of human/machine interfaces, computer resources, and experimental equipment which allows: remote science, collaboration, technical exchange, and multimedia communication. The telescience workstation is intended to provide a local computing environment for telescience. The purpose of the program are as follows: (1) to provide a suitable environment to integrate existing and new software for a telescience workstation; (2) to provide a suitable environment to develop new software in support of telescience activities; (3) to provide an interoperable environment so that a wide variety of workstations may be used in the telescience program; (4) to provide a supportive infrastructure and a common software base; and (5) to advance, apply, and evaluate the telescience technolgy base. A prototype telescience computing environment designed to bring practicing scientists in domains other than their computer science into a modern style of doing their computing was created and deployed. This environment, the Telescience Windowing Environment, Phase 1 (TeleWEn-1), met some, but not all of the goals stated above. The TeleWEn-1 provided a window-based workstation environment and a set of tools for text editing, document preparation, electronic mail, multimedia mail, raster manipulation, and system management.

Brown, Robert L.↗

Computing erasure metadata and data layout prior to storage using a processing platform

Techniques are provided for computing data and metadata layout prior to storage in a storage system using a processing platform. An exemplary processing platform comprises one or more of a compute node and a burst buffer appliance. The processing platform communicates with a plurality of the compute nodes over a network, wherein a plurality of applications executing on the plurality of compute nodes generate a plurality of data objects; computes erasure metadata for one or more of the data objects on at least one of the compute nodes; and provides the erasure metadata with the corresponding one or more data objects to a storage system. The processing platform optionally determines a full set of the data objects to be stored and queries the storage system to determine an anticipated layout of the full set of the data objects to be stored. The anticipated layout allows special handling, for example, for small files and large files that are identified based on predefined criteria.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

SENTRA: A Modular Computational Graph Framework for Critical Mineral and Materials Supply Chains: Part I: Network Construction Latent-Quantity Estimation, and Temporal Graph Forecasting

Global supply chains for critical minerals and materials are complex, evolving networks of countries, products, production stages, and trade relationships. Existing analytical approaches are limited by fragmented data and static network representations that do not capture the dynamic production dependencies linking raw materials, intermediate products, and final goods across multiple countries. Trade and production statistics provide only a partial view of domestic production, inventories, and material flows, making it difficult to identify indirect sourcing pathways, hidden dependencies, and embedded foreign exposures. This paper introduces the Supply Chain Exposure Network Tracking and Risk Assessment (SENTRA) framework, a modular graph-based computational framework for constructing, analyzing, and forecasting dynamic supply chain networks. As the first paper in a three-part methodological series, it establishes the computational foundation of SENTRA by constructing a temporal attributed multi-relational graph whose nodes represent product–country pairs and whose edges encode observed trade and within-country value-chain relationships. Statistical estimation and constrained optimization recover latent production, final demand, and product input dependency coefficients while enforcing economic accounting constraints. Graph-derived exposure measures quantify direct, transshipment, value-chain, and multi-hop supply chain dependencies independently of the forecasting model. A temporal graph forecasting architecture based on a relational graph neural network then forecasts the evolution of the graph under mass-balance constraints with distribution-free conformal uncertainty quantification. Validation on the global aluminum supply chain shows that the learned graph representations recover economically meaningful supply chain structure, accurately forecast out-of-sample trade relationships, and produce well-calibrated prediction intervals. Subsequent papers apply this computational foundation to exposure assessment, disruption analysis, and scenario-based policy analysis, and extend the framework to multimaterial supply chain modeling and decision support.

36 MATERIALS SCIENCE↗

Direct Visualization of Charge Migration in Bilayer Tantalum Oxide Films by Multimodal Imaging

Inspired by biological neuromorphic computing, artificial neural networks based on crossbar arrays of bilayer tantalum oxide memristors have shown to be promising alternatives to conventional complementary metal-oxide-semiconductor (CMOS) architectures. In order to understand the driving mechanism in these oxide systems, tantalum oxide films are resistively switched by conductive atomic force microscopy (C-AFM), and subsequently imaged by kelvin probe force microscopy (KPFM) and spatially resolved time-of-flight secondary ion mass spectrometry (ToF-SIMS). These workflows enable induction and analysis of the resistive switching mechanism as well as control over the resistively switched region of the film. In this work it is shown that the resistive switching mechanism is driven by both current and electric field effects. Reversible oxygen motion is enabled by applying low (<1 V) electric fields, while high electric fields generate irreversible breakdown of the material (>1 V). Fully understanding oxygen motion and electrical effects in bilayer oxide memristor systems is a fundamental step toward the adoption of memristors as a neuromorphic computing technology.

36 MATERIALS SCIENCE↗

Limited-angle computed tomography with deep image and physics priors

Computed tomography is a well-established x-ray imaging technique to reconstruct the three-dimensional structure of objects. It has been used extensively in a variety of fields, from diagnostic imaging to materials and biological sciences. One major challenge in some applications, such as in electron or x-ray tomography systems, is that the projections cannot be gathered over all the angles due to the sample holder setup or shape of the sample. This results in an ill-posed problem called the limited angle reconstruction problem. Typical image reconstruction in this setup leads to distortion and artifacts, thereby hindering a quantitative evaluation of the results. To address this challenge, we use a generative model to effectively constrain the solution of a physics-based approach. Our approach is self-training that can iteratively learn the nonlinear mapping from partial projections to the scanned object. Because our approach combines the data likelihood and image prior terms into a single deep network, it is computationally tractable and improves performance through an end-to-end training. We also complement our approach with total-variation regularization to handle high-frequency noise in reconstructions and implement a solver based on alternating direction method of multipliers. We present numerical results for various degrees of missing angle range and noise levels, which demonstrate the effectiveness of the proposed approach.

47 OTHER INSTRUMENTATION↗

DYNAMIC - The Nonlinear Dynamical Network Simulator v. 0.1

The purpose of the DYNAMIC software system is to perform simulations to validate a new research concept called “Chaotic Logic” which we recently published. The problem to be solved is to simulate certain networks of nonlinearly-interacting dynamical variables, and collect statistics on their behavior, to show that they can reliably perform useful computations. The dynamical trajectories for such networks are computed by time integration of their Hamilton’s equations.

Frank, MichaelP.↗

Exploring OpenSNAPI Use Cases and Evolving Requirements [Slides]

Emerging system architectures are rapidly transforming in order to meet shifting requirements. Motivated by expanding data volumes, energy efficiency concerns, and the omnipresent need to improve performance, architectures are increasingly adopting a data-centric approach. At the core of this concept is the goal of minimizing data motion and instead processing data in-situ to the greatest degree possible. Therefore, data-centric designs, in contrast to conventional CPU-centric models, typically distribute compute capabilities throughout the architecture. As part of this paradigm shift, a novel class of devices known as data processing units (DPUs), alongside CPUs and GPUs, are quickly forming a third pillar of data-centric systems. These devices, which include smart network adapters and switches, seek to offload computation on data at the network edge as well as in-flight within the network fabric. The Open Smart Network API (OpenSNAPI) project seeks to develop a unified API for DPU devices. In our previous talks, we introduced the OpenSNAPI project and detailed our investigations regarding the viability of offloading compute intensive kernels to BlueField DPUs. In contrast, in this talk we detail our efforts to offload application-level file I/O to the DPU. We also discuss plans and early efforts to explore in-network compute capabilities. Finally, we describe our observations with respect to the evolving design of OpenSNAPI.

97 MATHEMATICS AND COMPUTING↗

A Decade of Neural Networks: Practical Applications and Prospects

The Jet Propulsion Laboratory Neural Network Workshop, sponsored by NASA and DOD, brings together sponsoring agencies, active researchers, and the user community to formulate a vision for the next decade of neural network research and application prospects. While the speed and computing power of microprocessors continue to grow at an ever-increasing pace, the demand to intelligently and adaptively deal with the complex, fuzzy, and often ill-defined world around us remains to a large extent unaddressed. Powerful, highly parallel computing paradigms such as neural networks promise to have a major impact in addressing these needs. Papers in the workshop proceedings highlight benefits of neural networks in real-world applications compared to conventional computing techniques. Topics include fault diagnosis, pattern recognition, and multiparameter optimization.

Kemeny, Sabrina E.↗

Federated IRI Science Testbed (FIRST): A Concept Note

The Department of Energy’s (DOE’s) vision for an Integrated Research Infrastructure (IRI) is to empower researchers to smoothly and securely meld the DOE’s world-class user facilities and research infrastructure in novel ways in order to radically accelerate discovery and innovation. Performant IRI arises through the continuous interoperability of research workflows with compute, storage, and networking infrastructure, fulfilling researchers’ quests to gain insight from observational and experimental data. Decades of successful research, pilot projects, and demonstrations point to the extraordinary promise of IRI but also indicate the intertwined technological, policy, and sociological hurdles it presents. Creating, developing, and stewarding the conditions for seamless interoperability of DOE research infrastructure, with clear value propositions to stakeholders to opt into an IRI ecosystem, will be the next big step. Governance, funding, and resource allocation are beyond the scope of this document: it seeks to provide a high-level view of potential benefits, focus areas, and the working groups whose formation would further define the testbed’s design, activities, and goals.

97 MATHEMATICS AND COMPUTING↗

Effects-Based Monitoring of Geomagnetically-Induced Current Using a Convolutional Neural Network

Geomagnetically-induced current (GIC) due to space weather can flow in the power grid causing undesirable effects such as transformer overheating, misoperation of protection devices, and potential blackouts. It is therefore important to monitor GIC in the power grid to improve online situational awareness and decision-making of system operators during a geomagnetic disturbance. To avoid the costly installation of GIC monitors at transformers’ neutrals, it is desirable to find correlations between GIC and already-monitored parameters. Hence, this work proposed the use of a convolutional neural network (CNN) to compute GIC amplitudes from learned patterns in the time-series data of transformer even harmonic currents. Using an electromagnetic transient program, GIC injection simulations were performed for a modeled Dominion Energy Virginia (DEV) substation with two 504 MVA, 500/230 kV transformers. Data collected from these offline simulations were used to train the CNN to provide online GIC monitoring. Testing the CNN performance involved using real GIC measurements from published literature and from a physical GIC monitor in the DEV area. Finally, the results showed that the proposed method was able to provide GIC readings with a root mean squared error of 1.56 A/phase (equivalent to an average accuracy of 94%) for these real GIC waveforms.

42 ENGINEERING↗

Enabling computer decisions based on EEG input

Multilayer neural networks were successfully trained to classify segments of 12-channel electroencephalogram (EEG) data into one of five classes corresponding to five cognitive tasks performed by a subject. Independent component analysis (ICA) was used to segregate obvious artifact EEG components from other sources, and a frequency-band representation was used to represent the sources computed by ICA. Examples of results include an 85% accuracy rate on differentiation between two tasks, using a segment of EEG only 0.05 s long and a 95% accuracy rate using a 0.5-s-long segment.

Validation Studies↗

Building Simulation Modelers are we big-data ready?

Recent advances in computing and sensor technologies have pushed the amount of data we collect or generate to limits previously unheard of. Sub-minute resolution data from dozens of channels is becoming increasingly common and is expected to increase with the prevalence of non-intrusive load monitoring. Experts are running larger building simulation experiments and are faced with an increasingly complex data set to analyze and derive meaningful insight. This paper focuses on the data management challenges that building modeling experts may face in data collected from a large array of sensors, or generated from running a large number of building energy/performance simulations. The paper highlights the technical difficulties that were encountered and overcome in order to run 3.5 million EnergyPlus simulations on supercomputers and generating over 200 TBs of simulation output. This extreme case involved development of technologies and insights that will be beneficial to modelers in the immediate future. The paper discusses different database technologies (including relational databases, columnar storage, and schema-less Hadoop) in order to contrast the advantages and disadvantages of employing each for storage of EnergyPlus output. Scalability, analysis requirements, and the adaptability of these database technologies are discussed. Additionally, unique attributes of EnergyPlus output are highlighted which make data-entry non-trivial for multiple simulations. Practical experience regarding cost-effective strategies for big-data storage is provided. The paper also discusses network performance issues when transferring large amounts of data across a network to different computing devices. Practical issues involving lag, bandwidth, and methods for synchronizing or transferring logical portions of the data are presented. A cornerstone of big-data is its use for analytics; data is useless unless information can be meaningfully derived from it. In addition to technical aspects of managing big data, the paper details design of experiments in anticipation of large volumes of data. The cost of re-reading output into an analysis program is elaborated and analysis techniques that perform analysis in-situ with the simulations as they are run are discussed. The paper concludes with an example and elaboration of the tipping point where it becomes more expensive to store the output than re-running a set of simulations.

Sanyal, Jibonananda↗

Modeling Deformable Linear Objects for Autonomous Robotic Outfitting of Lunar Surface Systems

This paper presents structural models of deformable linear objects (DLOs). DLOs are a subclass of deformable objects that encompasses common outfitting elements such as cables and ropes. Models are validated through hardware experiments, and integration in a robotic autonomy architecture for space environments is discussed. A persistent human presence on the lunar surface is one of the next major milestones in space exploration. This requires the development of robust extraplanetary construction technologies including structures and materials modeling and robotic systems. Previous robotic construction technology development has primarily focused on structural assembly, with significantly less focus on robotically performed outfitting tasks to instantiate subsystems providing power, data, life support, etc. These tasks involve manipulation of highly flexible elements, which are difficult to model, such as cable harnesses, ropes, and hoses. Robotic manipulation of DLOs, especially cable harnesses, is an active area of research as cable harnesses are essential for providing power and data to space assets. DLO models that can be used for robot manipulator trajectory generation are necessary for autonomous operation of lunar infrastructure. There are many proposed methods for modeling DLOs, and they primarily fall into three types: 1) discrete model-based, 2) continuum model-based, and 3) Neural Network-based. These types each have pros and cons, and the tradeoff between model accuracy and computational speed informs which type should be used. An understanding of this trade-off is imperative for real-time control of autonomous systems. High computational requirements reduce the speed of the model, making real-time control difficult, while accuracy is critical to preventing collisions. Discrete models, such as a mass-spring multibody representation, require relatively few calculations, and accuracy is directly tied to the step size of the discretization. Continuum models, such as a B-spline representation or a Cosserat rod model (a mix of continuous and discrete), are more informed of the structural properties of the cable and are much more accurate than a rigid body mass-spring model, but at significant computational cost. A Neural Network approach can provide an online solution with very few computational steps, but properly generating training data can be difficult and validation for an in-space application is not trivial. This paper explores the trade-off between different modeling approaches and compares accuracy and computational speed/complexity of the three types mentioned above. Model accuracy is evaluated using a cable in a static configuration. True cable shape is obtained using a depth camera for RGB images and point-cloud segmentation. The purpose of this experiment is to evaluate the trade-offs of different approaches to the DLO modeling problem. Understanding the tradeoffs between different cable modeling techniques paves the way for developing robotic control and planning architectures necessary for real-time manipulation of DLOs for lunar infrastructure outfitting. Real-time control is required for robotic systems to be able to actively manipulate a cable in a harsh environment where model and sensor errors compound, and environmental conditions can cause significant disturbances. Cable routing must be performed in areas with high density of objects/obstacles: through truss structures, near solar panels or mirror arrays, next to bundles of electrical equipment. Understanding the best way to plan and manipulate a cable without disrupting the environment or damaging the cable is imperative to robotic outfitting operations on the lunar surface.

Amy M Quartaro↗