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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Sub-system quantum dynamics using coupled cluster downfolding techniques

In this paper, we discuss extending the sub-system embedding sub-algebra coupled cluster (SES-CC) formalism and the double unitary coupled cluster (DUCC) ansatz to the time domain. As we demonstrated in earlier studies, it is possible, using these formalisms, to calculate the energy of the entire system as an eigenvalue of downfolded/effective Hamiltonian in the active space, that is identifiable with the sub-system of the composite system. In these studies, we demonstrated that downfolded Hamiltonians integrate out Fermionic degrees of freedom that do not correspond to the physics encapsulated by the active space. We extend these results to the time-dependent Schrödinger equation, showing that a similar construct is possible to partition a system into a sub-system that varies slowly in time and a remaining subsystem that corresponds to fast oscillations. This time dependent formalism allows coupled cluster quantum dynamics to be extended to larger systems and for the formulation of novel quantum algorithms based on the quantum Lanczos approach, which have recently been considered in the literature.

coupled cluster, Electron correlation, quantum dyn↗
DOE OSTI2024

Toward electron temperature profiles in hot-dense plasmas from x-ray spectral ensembles

High repetition rate laser systems enable new strategies for diagnosing plasma behavior with large datasets. Here, we define an ensemble technique that relies on randomized targeting of x-ray tracer micro-stripes. On each shot, a high-intensity laser pulse is focused on a solid target with Ti tracer stripes embedded in an Al foil, randomly targeting a micro-stripe, a portion of a stripe, or a gap between stripes. High-resolution, time-integrated x-ray spectrometers capture line emission from the portion of the micro-stripe that is heated to sufficiently high electron temperatures. Accumulation of many such cases is used to construct ensemble distributions of x-ray line intensities that encompass all relative offsets of the laser focus to the micro-stripe centers. Synthetic intensity distributions are likewise generated using collisional-radiative modeling. Bayesian fitting of modeled to measured intensity distributions establishes the most likely radial temperature profiles, enabling comparison to hydrodynamic models and calling into question the cylindrical symmetry of these micro-stripe-embedded systems. Ensemble techniques have significant potential for high-energy-density plasma diagnostics, especially with the advent of high repetition rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Leveraging SETS resilience capabilities for safe-to-fail infrastructure under climate change

As the rehabilitation of infrastructure is outpaced by changes in the profile, frequency, and intensity of extreme weather events, infrastructure’s service disruptions and failures become increasingly likely. Safe-to-fail approaches for infrastructure planning and design improve the capacity of cities to adapt for uncertain climate futures by identifying social, ecological, and technological systems (SETS) capabilities to prepare for potential failure scenarios. In this work, we argue for transforming infrastructure planning and design to effectively utilize safe-to-fail approaches by navigating the opportunities and trade-offs of SETS resilience capabilities. From a technological vantage point, traditional infrastructure planning approaches account for social and ecological domains as external design conditions rather than embedded system characteristics. Safe-to-fail approaches directly challenge the isolation of the technological domain by necessitating a recognition that SETS domains are interconnected and interdependent in infrastructure systems, as such risks and system capabilities for resilience must be managed cohesively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

An introduction to neuromorphic computing and its potential impact for unattended ground sensors

Neuromorphic computers are hardware systems that mimic the brain’s computational process phenomenology. This is in contrast to neural network accelerators, such as the Google TPU or the Intel Neural Compute Stick, which seek to accelerate the fundamental computation and data flows of neural network models used in the field of machine learning. Neuromorphic computers emulate the integrate and fire neuron dynamics of the brain to achieve a spiking communication architecture for computation. While neural networks are brain-inspired, they drastically oversimplify the brain’s computation model. Neuromorphic architectures are closer to the true computation model of the brain (albeit, still simplified). Neuromorphic computing models herald a 1000x power improvement over conventional CPU architectures. Sandia National Labs is a major contributor to the research community on neuromorphic systems by performing design analysis, evaluation, and algorithm development for neuromorphic computers. Space-based remote sensing development has been a focused target of funding for exploratory research into neuromorphic systems for their potential advantage in that program area; SNL has led some of these efforts. Recently, neuromorphic application evaluation has reached the NA-22 program area. This same exploratory research and algorithm development should penetrate the unattended ground sensor space for SNL’s mission partners and program areas. Neuromorphic computing paradigms offer a distinct advantage for the SWaP-constrained embedded systems of our diverse sponsor-driven program areas.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Enhanced Preparation for Intelligent Cybermanufacturing Systems (EPICS)

Opportunities exist for realizing transformative advances in productivity and reductions in energy footprint through ubiquitous sensing in manufacturing environments. Enhanced Preparation for Intelligent Cybermanufacturing Systems (EPICS) is a 21-month (4 academic semesters, plus one summer) experience for graduate students that focuses on scaling the knowledge, understanding and leadership skills in the cyber manufacturing area. Masters students (8/year, 32 total) complete 2-year projects on industrially-driven project topics, rotating to internships in summer semester to work on scoping and implementation at project partners. Students complete academic training in embedded systems, process modeling, data science, and cloud-based systems design. Their projects are targeted toward sensor retrofit, process monitoring, root cause analysis, and sensor fusion.

Advanced Manufacturing↗
DOE OSTI2023

Introducing the embedded random phase approximation: H 2 dissociative adsorption on Cu(111) as an exemplar

The random phase approximation (RPA) as a means of treating electron correlation recently has been shown to outperform standard density functional theory (DFT) approximations in a variety of cases. However, the computational cost of the RPA is substantially more than DFT, especially when aiming to study extended surfaces. Properly accounting for sufficient surface ensemble size, Brillouin zone sampling, and vacuum separation of periodic images in standard periodic-planewave-based DFT code raises the cost to achieve converged results. Here, we show that sub-system embedding schemes enable use of the RPA for modeling heterogeneous reactions at reduced computational cost. Further, we explore two different embedded RPA (emb-RPA) approaches, periodic emb-RPA and cluster emb-RPA. We use the (experimentally and theoretically) well-studied H 2 dissociative adsorption on Cu(111) as our exemplar, and first perform full periodic RPA calculations as a benchmark. The full RPA results match well the semi-empirical barrier fit to experimental observables and others derived from high-level computations, e.g., from recent embedded n-electron valence second order perturbation theory [Zhao et al., J. Chem. Theory Comput. 16(11), 7078–7088 (2020)] and quantum Monte Carlo [Doblhoff-Dier et al., J. Chem. Theory Comput. 13(7), 3208–3219 (2017)] simulations. Among the two emb-RPA approaches tested, the cluster emb-RPA accurately reproduces the energy profile (maximum error of 50 meV along the reaction pathway) while reducing the computational cost by approximately two orders of magnitude. We therefore expect that the embedded cluster approach will enable wider RPA implementation in heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Results of Speciation Determination Measurements of Insulating Sulfur Hexafluoride Gas

Under the direction of the NNSA NA-231 Mo-99 Program, SRNL has provided technical assistance to U.S. companies under cooperative agreements. One such area of technical assistance has been for the recommendation for contamination management methods in the eventuality that tritium contaminates the insulating gas of a high-voltage ion source used in the accelerator-based process developed by SHINE Medical Technologies to produce Mo-99. The SHINE accelerator process uses tritium as the target of a deuterium ion beam, where the ion beam is produced within a high-voltage ion source insulated with sulfur hexafluoride (SF 6 ), and is separated from the tritium target by an extensive pump train. Normal operating conditions preclude the conditions necessary for contamination of the insulating gas, however certain atypical conditions could result in a tritium contamination event. Accelerator based processes for medical isotope production represent an anomalous tritium contamination challenge due to the presence of SF 6 . SF 6 decomposes through normal use as an insulator gas, and the exact speciation of the decomposition byproducts depends on a variety of factors. This creates a scenario where the anticipation of species present in the insulating gas mixture is difficult. In turn, the fate of tritium within such a chemical system is unclear. This document discusses the results of measurements made in-situ of the SF 6 insulating gas in use within a SHINE Medical Technology’s high-voltage ion source. This was done in an effort to determine the chemical speciation of the gas, allowing for the recommendation of management strategies in the event that tritium contaminates the insulating gas. The results of the measurements reported in this work suggest that tritium contamination in the insulating gas may result in two chemical forms of tritium in the system, tritiated water and molecular tritium. These two forms of tritium would be captured by two methods. Tritiated water may be captured and removed from the SF 6 by an adsorbent canister already present within the pressure vessel that houses the insulating gas while in use. It may also be separated from the SF 6 during routine purification of the SF 6 , which is performed by SHINE personnel routinely. The purification cart will perform all non-embedded systems cleanup necessary to remediate tritiated species in the system. The purification cart passes the insulating gas through several filters, followed by the liquefication of the SF 6 . The filters will separate tritiated water from the SF 6 at this stage. It is expected that molecular tritium will accumulate in the gas-phase during the liquification step, which is separated and stored. Tritium may be recovered from this mixture through more conventional hydrogen purification methods such as a palladium diffuser.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Machine Learning in Power System Operations: Training Data

Reliability and stability of the electric grid today has depended upon operations of the grid which include the protective relay. Today, the electricity sector faces new challenges with the shift of generation resource characteristics away from the traditional “big iron” generation to inverter-based resources (IBR) which shift the physics and assumption used in grid operation and protection. These changing conditions represent new challenges for protective relays (identification of faults) and increased challenges for protection engineers (correct settings and configuration, reduction of mis-operations), both issues recognized in research and industry. Finding new approaches to reduce mis-operations in relaying and new approaches to fault identification is critical to grid operations. Using today’s modern technology of embedded systems, edge computing, machine learning (ML), and communications we can help address challenges and augment and improve on existing power system operations methodologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

DriveSense: A Noise-Resilient Framework for Driving Mode Identification

Accurate drive mode classification is essential for enhancing the reliability and predictive maintenance of heavy-duty electric trucks. This study proposes a novel fuzzy logic-based framework, DriveSense, for real-time drive mode classification, addressing key challenges such as sensor noise, transitional behaviors, and computational efficiency. The proposed approach integrates a two-stage filtering pipeline, combining adaptive outlier removal and a dynamic Kalman filter to enhance data quality. A fuzzy inference system with smoothened trapezoidal membership functions is then applied to classify driving modes into standstill, constant speed, acceleration, and deceleration while mitigating the effects of noise and edge cases. Performance evaluation using real-world and simulated drive cycles demonstrates significant improvements in classification accuracy (up to 97.8%), F1-score (up to 0.97), and robustness against noise, while reducing false positives. Comparative analysis against baseline models, demonstrates DriveSense’s superior accuracy and generalizability across diverse driving patterns. The framework’s lightweight and interpretable fuzzy inference engine operates with low computational latency, ensuring compatibility with real-time embedded systems typical of heavy-duty electric trucks. Moreover, DriveSense models transitional behaviors through overlapping fuzzy sets and adaptive borderline classification logic, enabling smooth identification of subtle shifts such as rolling stops or gradual deceleration. These results highlight DriveSense’s potential to enhance predictive maintenance strategies, reduce downtime, and support scalable, fleet-wide diagnostics.

Kumar, Praveen [Oak Ridge National Laboratory (ORN↗
DOE OSTI2024

Method for Coupled Electromagnetic and Circuit Simulations to Evaluate Surge Arrester Performance in Protecting Equipment Against E1 HEMP

Surge arrester behavioral modeling for realistic systems embedded in an E1 high-altitude electromagnetic pulse environment inherently encompasses three interconnected complications: (1) the need to account for signal propagation across two domains, electromagnetics and electrical; (2) the need to include both linear and nonlinear circuit components in the analysis; and (3) the need to understand that the over-current and over-voltage mitigation performance is dependent not only on the properties of the surge arrester and protected load but also on the topology of the overall electrical network. This study presents a framework to address these challenges in a systematic manner to consider the effectiveness of protective measures for a common class of equipment in power generation facilities. Full-wave simulations were carried out to derive circuit-domain (i.e., lumped element–based) equivalent models for the excitation waveform and the physical components of the system. Then, these equivalent models were imported to a circuit solver and combined with a high-frequency surge arrester model to evaluate mitigation performance. The methodology outlined is general enough such that it can be applied for other electromagnetic interference problems that involve E2/E3 HEMP or microwave emissions.

42 ENGINEERING↗
DOE OSTI2026

lumicap v0.1

Automated HDR luminance imaging system designed for daylighting research and building science. It controls a fisheye-lens camera to capture time-lapse bracket sequences, merges them into calibrated HDR images, and runs a full post-processing pipeline — all unattended. Features: - Scheduled LDR bracket capture via gphoto2 - HDR merging with vignetting, ND filter, and fisheye projection corrections - Illuminance and luminance meter integration (Konica Minolta T-10A, LS-100/150) - Daylight glare probability (DGP) and solar position computation - Automated false-color rendering, JPEG thumbnails, and daily time-lapse video - CSV data logging per timestep Uses: - Long-term monitoring of daylight conditions in buildings - Glare analysis for occupant comfort research - Solar irradiance and sky luminance studies Advantages: - End-to-end automation — capture, calibration, analysis, and archiving run without manual intervention - Built on the proven Radiance toolchain, ensuring photometrically accurate HDR output - Hardware-agnostic meter support via serial auto-detection - Lightweight — no GUI overhead, deployable on a headless Raspberry Pi or similar embedded system

Wang, Taoning [Lawrence Berkeley National Laborato↗
DOE OSTI2020

User Access to Scientific Facilities via 5G: A Cyber Security Thought Experiment

5G is more than an over-the-air radio technology upgrade. It is a strategy to extend Mobile Network Operator service offerings beyond traditional voice, instant messaging and Internet access. 5G Mobile Network Operators will offer new telecommunication services that include enhanced guarantees of confidentiality, integrity and availability. How could such services change the way Science collaborations connect scientists to supercomputers and other scientific facilities? Current scientific collaborations implicitly trust cloud service providers to securely store and process data. The perceived risks of outsourcing Science data security are counterbalanced by assurances that cloud providers operate at a scale that allows them to implement security measures impractical for Science collaborations (e.g. continuous system administrator behavioral monitoring and strict individual separation of duties). If that is true for a cloud service provider like Amazon Web Services (2018 revenue: $25.7 billion), could it also be true for Mobile Network Operators like Verizon Wireless (2018 revenue: $91.7 billion) or AT&T Mobility (2018 revenue: $71.3 billion)? DOE Leadership Class supercomputer facility users currently access them from the public Internet via Secure Shell. The sponsors and operators of the supercomputer facilities have determined that the public Internet path between the Scientist’s Device and the Login Node does not natively provide enough confidentiality or integrity to protect those communications. Therefore, the facilities achieve additional confidentiality and integrity by requiring Secure Shell encryption across those untrusted network paths. Using 5G Network Slice technology, a Mobile Network Operator may offer communication services between supercomputer users and facilities that natively provide confidentiality and integrity guarantees. Sponsors and operators of supercomputer facilities may determine that these guarantees provide enough confidentiality and integrity to protect those communications. If so, a 5G Network Slice could replace an SSH session running over the public Internet. Finally, this use case could be extended to other Office of Science user facility access requirements. Consider microscopy instruments at (e.g.) the Center for Nanoscale Materials or the Environmental Molecular Sciences Laboratory. The embedded systems controlling such instruments may not always support encrypted network access technologies like SSH. 5G Network Slices may offer an alternative to current VPN or SSH tunneling techniques, with additional benefits like guaranteed minimum bandwidth.

5G↗
DOE OSTI2024

Classifying photonic topology using the spectral localizer and numerical K -theory

Recently, the spectral localizer framework has emerged as an efficient approach for classifying topology in photonic systems featuring local nonlinearities and radiative environments. In nonlinear systems, this framework provides rigorous definitions for concepts such as topological solitons and topological dynamics, where a system’s occupation induces a local change in its topology due to nonlinearity. For systems embedded in radiative environments that do not possess a shared bulk spectral gap, this framework enables the identification of local topology and shows that local topological protection is preserved despite the lack of a common gap. However, as the spectral localizer framework is rooted in the mathematics of C*-algebras, and not vector bundles, understanding and using this framework requires developing intuition for a somewhat different set of underlying concepts than those that appear in traditional approaches for classifying material topology. In this tutorial, we introduce the spectral localizer framework from a ground-up perspective and provide physically motivated arguments for understanding its local topological markers and associated local measure of topological protection. In doing so, we provide numerous examples of the framework’s application to a variety of topological classes, including crystalline and higher-order topology. We then show how Maxwell’s equations can be reformulated to be compatible with the spectral localizer framework, including the possibility of radiative boundary conditions. To aid in this introduction, we also provide a physics-oriented introduction to multi-operator pseudospectral methods and numerical K-theory, two mathematical concepts that form the foundation for the spectral localizer framework. Finally, we provide some mathematically oriented comments on the C*-algebraic origins of this framework, including a discussion of real C*-algebras and graded C*-algebras that are necessary for incorporating physical symmetries. Looking forward, we hope that this tutorial will serve as an approachable starting point for learning the foundations of the spectral localizer framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Designing a decentralized fault-tolerant software framework for smart grids and its applications

The vision of the ‘Smart Grid’ anticipates a distributed real-time embedded system that implements various monitoring and control functions. As the reliability of the power grid is critical to modern society, the software supporting the grid must support fault tolerance and resilience of the resulting cyber-physical system. This paper describes the fault-tolerance features of a software framework called Resilient Information Architecture Platform for Smart Grid (RIAPS). The framework supports various mechanisms for fault detection and mitigation and works in concert with the applications that implement the grid-specific functions. The paper discusses the design philosophy for and the implementation of the fault tolerance features and presents an application example to show how it can be used to build highly resilient systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Many-Body Level Statistics of Single-Particle Quantum Chaos

We consider a noninteracting many-fermion system populating levels of a unitary random matrix ensemble (equivalent to the q = 2 complex Sachdev-Ye-Kitaev model)—a generic model of single-particle quantum chaos. We study the corresponding many-particle level statistics by calculating the spectral form factor analytically using algebraic methods of random matrix theory, and match it with an exact numerical simulation. Despite the integrability of the theory, the many-body spectral rigidity is found to have a surprisingly rich landscape. In particular, we find a residual repulsion of distant many-body levels stemming from single-particle chaos, together with islands of level attraction. These results are encoded in an exponential ramp in the spectral form factor, which we show to be a universal feature of nonergodic many-fermion systems embedded in a chaotic medium.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A Hybrid Dynamic/Steady-State Tool With Protection Simulation for Cascading-Outage Analysis of Extreme Events in Power Systems

The bulk electric power grid is subject to vulnerabilities from component outages, which in certain combinations (extreme events) might lead to cascading outages. Some of these outages can be severe enough to trigger brownouts and blackouts. Much is known about mitigating the first few failures near the beginning of a cascade, but there are few established methods and tools for directly analyzing the risks of cascading component outages over a longer time scale. Current power system tools have limited ability to perform detailed and accurate cascading-outage analysis, which could be computationally intensive. The Dynamic Contingency Analysis Tool (DCAT) enables power system planning engineers to more realistically assess the consequences of extreme contingencies and potential cascading events across their systems and interconnections. DCAT has several unique features: (i) detailed hybrid dynamic and steady-state analysis of power systems to mimic real-world cascading outages, (ii) detailed modeling of protection systems embedded in the dynamic simulation, (iii) simulation of corrective action after transients, (iv) simulation of islanding , and (v) high-performance computing capability to simulate a large number of contingencies in a reasonable time. DCAT outputs will help find technically sound solutions to reduce the risk of cascading outages. This paper provides details of DCAT methodology and shows its capabilities with extreme events on real-world cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Distributed Accelerometer IMU-2: An Interim Development Report

This report details the development of DAIMU-2, a MEMS accelerometer-based Gyro-Free Inertial Measurement Unit (GF-IMU). Previously, a GF-IMU called the Distributed Accelerometer IMU (DAIMU) was developed at LLNL using traditional analog accelerometers. This project leverages the experience gained from DAIMU and recent advances in sensor and embedded systems technology to develop DAIMU-2. The report introduces the theory and mathematics of a GF-IMU, followed by the design of an Unscented Kalman Filter (UKF) and simulation results. Finally, the DAIMU-2 prototypes developed to date are presented. After approximately one year of development work, the project was suspended, to be resumed in the future. Because of this, some efforts were partially completed, and this report attempts to indicate areas where further work is needed. MATLAB files, drawings, and other design documents have been archived for future project resumption.

42 ENGINEERING↗
DOE OSTI2023

Downhole Sensing and Event-Driven Sensor Fusion for Depth-of-Cut Based Autonomous Fault Response and Drilling Optimization

Achieving robust and efficient drilling is a critical part of reducing the cost of geothermal energy exploration and extraction. Drilling performance is often evaluated using one or more of three key metrics: depth of cut (DOC), rate of penetration (ROP), and mechanical specific energy (MSE). All three of these quantities are related to each other. DOC refers to the depth a bit penetrates into rock during drilling. This is an important quantity for estimating bit behavior. ROP is the simply the DOC multiplied by the rotational rate, and represents how quickly the drill bit is advancing through the ground. ROP is often the parameter used for drilling control and optimization. Finally, MSE provides insight into drilling efficiency and rock type. MSE calculations rely on ROP, drilling force, and drilling torque. Surface-based sensors at the top of the drill are often used to measure all these quantities. However, top-hole measurements can deviate substantially from the behavior at the bit due to lag, vibrations, and friction. Therefore, relying only on top-hole information can lead to suboptimal drilling control. In this work, we describe recent progress towards estimating ROP, DOC, and MSE using down-hole sensing. We assume down-hole measurements of torque, weight-on-bit (WOB). Our hypothesis is that these measurements can provide more rapid and accurate measures of drilling performance. We show how a multi-layer perceptron (MLP) machine learning algorithm can provide rapid and accurate performance when evaluated on experimental data taken from Sandia’s Hard Rock Drilling Facility. In addition, we implement our algorithms on an embedded system intended to emulate a bottom-hole-assembly for sensing and estimation. Our experimental results show that DOC can be estimated accurately and in real-time. These estimates when combined with measurements for rotary speed, torque, and force can provide improved estimates for ROP and MSE. These results have the potential to enable better drilling assessment, improved control, and extended component lifetimes.

15 GEOTHERMAL ENERGY↗