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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 sources NASA NTRS DOE OSTI

DOE OSTI2021

Structural drivers controlling sulfur solubility in alkali aluminoborosilicate glasses

Abstract If the direct feed approach to vitrify the Hanford's tank waste is implemented, the low activity waste (LAW) will comprise higher concentrations of alkali/alkaline‐earth sulfates than expected under the previously proposed vitrification scheme. To ensure a minimal impact of higher sulfate concentrations on the downstream operations and overall cost of vitrification, advanced glass formulations with enhanced sulfate loadings (solubility) are needed. While, the current sulfate solubility predictive models have been successful in designing LAW glasses with sulfate loadings <2 wt.%, it will be difficult for them to design glass compositions with enhanced loadings due to our limited understanding of the fundamental science governing these processes. In this pursuit, this article unearths the underlying compositional and structural drivers controlling the sulfate solubility in model LAW glasses. It has been shown that the preferentially removes non‐framework cations from the modifier sites in the silicate network, thus, leading to the polymerization in the glass network via the formation of ring‐structured borosilicate units. Furthermore, though the sulfate solubility slightly decreases with increasing Li + /Na + in the glasses, the prefers to be charge compensated by Na + , as it is easier for to break Na–O bonds instead of Li–O bonds.

Xu, Xinyi↗

DOE OSTI2022

Federated Learning and Differential Privacy: What might AI-Enhanced co-design of microelectronics learn?

Data is a valuable commodity, and it is often dispersed over multiple entities. Sharing data or models created from the data is not simple due to concerns regarding security, privacy, ownership, and model inversion. This limitation in sharing can hinder model training and development. Federated learning can enable data or model sharing across multiple entities that control local data without having to share or exchange the data themselves. Differential privacy is a conceptual framework that brings strong mathematical guarantee for privacy protection and helps provide a quantifiable privacy guarantee to any data or models shared. The concepts of federated learning and differential privacy are introduced along with possible connections. Lastly, some open discussion topics on how federated learning and differential privacy can tied to AI-Enhanced co-design of microelectronics are highlighted.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Tribological behavior of nuclear graphite in high-temperature inert environment

This report formally documents the completion of the Advanced Reactor Technologies Level 2 Milestone (M2AT-26OR0605058), “Complete initial wear/abrasion studies,” due June 1, 2026. The work presented in this report expend upon our previously published manuscript titled Sliding friction and wear behavior of nuclear graphite in high temperature inert environment: Influence of contact load, speed and temperature. The sliding friction and wear of self-mated ET-10 nuclear graphite were characterized across a range of elevated temperatures (650°C and 750°C), contact loads (20 N and 40 N), and sliding speeds (1 mm/s and 10 mm/s) within a controlled argon environment. Tribological data combined with advanced morphological characterization were used to provide a detailed mechanistic framework for the frictional and wear behavior of nuclear graphite in high-temperature inert conditions. Furthermore, the report evaluates the inherent limitations of bench-scale characterization and addresses the critical disparities between laboratory findings and the complex, in-service friction and wear behavior of fuel pebbles within a reactor environment.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Benchmarking soil moisture and its relationship to ecohydrologic variables in Earth System Models

Soil moisture (SM) is a key regulator of ecosystem biogeophysics, influencing plant water relations and land-atmosphere energy exchanges. We evaluate the representation of SM in 16 Earth System Models from the Coupled Model Intercomparison Project Phase 6 (CMIP6) using the International Land Model Benchmarking (ILAMB) framework, focusing on surface (0–5, 0–10 cm) and rootzone (0–100 cm) depths, as well as key ecohydrological variables like gross primary productivity (GPP), leaf area index (LAI), and evapotranspiration (ET), and their coupling. Models are benchmarked against multiple observational and assimilated datasets to assess both state variables and cross-variable relationships. Surface SM is generally well represented (r > 0.87), while rootzone SM variability is systematically overestimated (normalized standard deviation > 1). ET shows strong agreement with observations (r > 0.9), whereas GPP and LAI exhibit larger inter-model spread. Skill in individual variables does not guarantee realistic SM–ecohydrology coupling, which varies strongly across models and depends on the reference dataset. Köppen-based regional analyses reveal strong regime dependence, with several models performing well in Tropical and Temperate regions but degrading in Continental (high-latitude) zones. Across both global and regional benchmarks, models cluster by land surface framework, indicating that structural choices in soil hydrology and soil–plant coupling exert a first-order control on performance. These results provide process-relevant benchmarks and suggest that improving the representation of vertical soil structure, rooting depth distributions, and soil–plant hydraulic coupling will be central to advancing soil moisture realism in next-generation Earth system models.

CMIP6↗

NASA NTRS1981

Survey of the US materials processing and manufacturing in space program

To promote potential commercial applications of low-g technology, the materials processing and manufacturing in space program is structured to: (1) analyze the scientific principles of gravitational effects on processes used in producing materials; (2) apply the research toward the technology used to control production process (on Earth or in space, as appropriate); and (3) establish the legal and managerial framework for commercial ventures. Presently federally funded NASA research is described as well as agreements for privately funded commercial activity, and a proposed academic participation process. The future scope of the program and related capabilities using ground based facilities, aircraft, sounding rockets, and space shuttles are discussed. Areas of interest described include crystal growth; solidification of metals and alloys; containerless processing; fluids and chemical processes (including biological separation processes); and processing extraterrestrial materials.

Mckannan, E. C.↗

NASA NTRS1989

The organization of perception and action in complex control skills

An attempt was made to describe the perceptual, cognitive, and action processes that account for highly skilled human performance in complex task environments. In order to study such a performance in a controlled setting, a laboratory task was constructed and three experiments were performed using human subjects. A general framework was developed for describing the organization of perceptual, cognitive, and action process.

Miller, Richard A.↗

NASA NTRS1994

Design document for the Surface Currents Data Base (SCDB) Management System (SCDBMS), version 1.0

The Surface Currents Database Management System (SCDBMS) provides access to the Surface Currents Data Base (SCDB) which is maintained by the Naval Oceanographic Office (NAVOCEANO). The SCDBMS incorporates database technology in providing seamless access to surface current data. The SCDBMS is an interactive software application with a graphical user interface (GUI) that supports user control of SCDBMS functional capabilities. The purpose of this document is to define and describe the structural framework and logistical design of the software components/units which are integrated into the major computer software configuration item (CSCI) identified as the SCDBMS, Version 1.0. The preliminary design is based on functional specifications and requirements identified in the governing Statement of Work prepared by the Naval Oceanographic Office (NAVOCEANO) and distributed as a request for proposal by the National Aeronautics and Space Administration (NASA).

Krisnnamagaru, Ramesh↗

NASA NTRS1994

Design document for the MOODS Data Management System (MDMS), version 1.0

The MOODS Data Management System (MDMS) provides access to the Master Oceanographic Observation Data Set (MOODS) which is maintained by the Naval Oceanographic Office (NAVOCEANO). The MDMS incorporates database technology in providing seamless access to parameter (temperature, salinity, soundspeed) vs. depth observational profile data. The MDMS is an interactive software application with a graphical user interface (GUI) that supports user control of MDMS functional capabilities. The purpose of this document is to define and describe the structural framework and logical design of the software components/units which are integrated into the major computer software configuration item (CSCI) identified as MDMS, Version 1.0. The preliminary design is based on functional specifications and requirements identified in the governing Statement of Work prepared by the Naval Oceanographic Office (NAVOCEANO) and distributed as a request for proposal by the National Aeronautics and Space Administration (NASA).

Source record↗

NASA NTRS2008

Trajectory-Oriented Approach to Managing Traffic Complexity: Operational Concept and Preliminary Metrics Definition

This document describes preliminary research on a distributed, trajectory-oriented approach for traffic complexity management. The approach is to manage traffic complexity in a distributed control environment, based on preserving trajectory flexibility and minimizing constraints. In particular, the document presents an analytical framework to study trajectory flexibility and the impact of trajectory constraints on it. The document proposes preliminary flexibility metrics that can be interpreted and measured within the framework.

Idris, Husni↗

NASA NTRS2012

Efficient Computation of Separation-Compliant Speed Advisories for Air Traffic Arriving in Terminal Airspace

A class of problems in air traffic management asks for a scheduling algorithm that supplies the air traffic services authority not only with a schedule of arrivals and departures, but also with speed advisories. Since advisories must be finite, a scheduling algorithm must ultimately produce a finite data set, hence must either start with a purely discrete model or involve a discretization of a continuous one. The former choice, often preferred for intuitive clarity, naturally leads to mixed-integer programs, hindering proofs of correctness and computational cost bounds (crucial for real-time operations). In this paper, a hybrid control system is used to model air traffic scheduling, capturing both the discrete and continuous aspects. This framework is applied to a class of problems, called the Fully Routed Nominal Problem. We prove a number of geometric results on feasible schedules and use these results to formulate an algorithm that attempts to compute a collective speed advisory, effectively finite, and has computational cost polynomial in the number of aircraft. This work is a first step toward optimization and models refined with more realistic detail.

Sadovsky, Alexander V.↗

DOE OSTI2026

Alleviating prior dependencies for DESI DR1 clustering fits through reparameterization

Bayesian analyses of the full-shape clustering of Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1) exhibit prior-volume projection effects, whereby weakly constrained nuisance parameters of the Effective Field Theory of Large Scale Structure (EFTofLSS) shift marginalized cosmological posteriors away from the posterior maximum. We reanalyze DESI DR1 power spectrum multipoles using two complementary mitigation strategies: (i) nonlinear orthogonalization to decorrelate nuisance and cosmological parameter priors, and (ii) a fully reparameterization-invariant Jeffreys prior over all EFTofLSS coefficients, evaluated on-the-fly via closed-form Jacobians. Including data from DESI, Big-Bang Nuclesynthesis and a constraint on $n_{\mathrm{s}}$, baseline priors lead to multi-$σ$ projection in the Hubble parameter $H_{0}$ and dark energy equation of state parameters $w_{0}$ and $w_{a}$; the Jeffreys prior successfully recenters these posteriors to enclose the maximum a posteriori estimate within the 68% credible regions, demonstrating clear mitigation of projection effects for these late-time expansion parameters. A hybrid Jeffreys+baseline-Gaussian configuration controls residual over-broad tails in the physical cold dark matter density $ω_{\mathrm{c}}$ while preserving the volume correction, and is our favoured approach. We compare the credible intervals derived using our methodology to those obtained using Halo Occupation Distribution (HOD)-informed priors and to confidence intervals derived using frequentist profile likelihood analyses, finding agreement in both central values and degeneracy directions in the $w_{0}$--$w_{a}$ plane. This demonstrates that, once projection effects are properly controlled, we can make robust inferences about the late-time cosmological expansion independent of the statistical framework adopted.

Bonici, M. [Waterloo U.; Perimeter Inst. Theor. Ph↗

DOE OSTI2026

Zeolitic Imidazole Framework Decorated Substrates for Lead Removal From Water

Lead contamination in water supplies necessitates efficient and mechanistically understood removal strategies. Zeolitic imidazole frameworks (ZIFs) are promising adsorbents; however, ZIF-67 (Co-based) is more susceptible to hydrolysis than its zinc analogue ZIF-8, raising questions about stability during metal uptake. In this study, we systematically compare ZIF-8 and ZIF-67 under controlled pH conditions and evaluate how substrate anchoring influences hydrolytic stability and Pb 2+ adsorption behavior. By integrating adsorption capacity measurements, kinetic analysis, metal-node leaching data, and structural characterization, we distinguish ion exchange from framework degradation and clarify the temporal interplay between adsorption and hydrolysis. Although ZIF-67 exhibits greater hydrolytic sensitivity, coordination with phosphoryl-bearing Mucor hiemalis membranes significantly reduces Co 2+ leaching and enhances structural retention. Under the optimized conditions (pH 5), ZIF-67@Mucor achieves a maximum Pb 2+ adsorption capacity of 867 mg g −1 . These findings demonstrate that substrate-dependent stabilization enables controlled exploitation of ZIF reactivity for aqueous metal remediation.

Adsorption↗

DOE OSTI2023

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called polaritons, are formed due to quantum light–matter interactions. With the experimental demonstrations of modifying chemical reactivities by forming polaritons under strong light–matter interactions, theorists have been encouraged to develop new methods to simulate these systems and discover new strategies to tune and control reactions. This review summarizes some of these exciting theoretical advances in polariton chemistry, in methods ranging from the fundamental framework to computational techniques and applications spanning from photochemistry to vibrational strong coupling. Even though the theory of quantum light–matter interactions goes back to the midtwentieth century, the gaps in the knowledge of molecular quantum electrodynamics (QED) have only recently been filled. We review recent advances made in resolving gauge ambiguities, the correct form of different QED Hamiltonians under different gauges, and their connections to various quantum optics models. Then, we review recently developed ab initio QED approaches which can accurately describe polariton states in a realistic molecule–cavity hybrid system. We then discuss applications using these method advancements. We review advancements in polariton photochemistry where the cavity is made resonant to electronic transitions to control molecular nonadiabatic excited state dynamics and enable new photochemical reactivities. When the cavity resonance is tuned to the molecular vibrations instead, ground-state chemical reaction modifications have been demonstrated experimentally, though its mechanistic principle remains unclear. We present some recent theoretical progress in resolving this mystery. Finally, we review the recent advances in understanding the collective coupling regime between light and matter, where many molecules can collectively couple to a single cavity mode or many cavity modes. We also lay out the current challenges in theory to explain the observed experimental results. We hope that this review will serve as a useful document for anyone who wants to become familiar with the context of polariton chemistry and molecular cavity QED and thus significantly benefit the entire community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1981

Modeling the data systems role of the scientist (for the NEEDS Command and Control Task)

Research was conducted into the command and control activities of the scientists for five space missions: International Ultraviolet Explorer, Solar Maximum Mission, International Sun-Earth Explorer, High-Energy Astronomy Observatory 1, and Atmospheric Explorer 5. A basis for developing a generalized description of the scientists' activities was obtained. Because of this characteristic, it was decided that a series of flowcharts would be used. This set of flowcharts constitutes a model of the scientists' activities within the total data system. The model was developed through three levels of detail. The first is general and provides a conceptual framework for discussing the system. The second identifies major functions and should provide a fundamental understanding of the scientists' command and control activities. The third level expands the major functions into a more detailed description.

Hei, D. J., Jr.↗

DOE OSTI2025

Distribution System Blackstart and Restoration Using DERs and Dynamically Formed Microgrids

Extreme weather events have led to long-duration outages in the distribution system (DS), necessitating novel approaches to blackstart and restore the system. Existing blackstart solutions utilize blackstart units to establish multiple microgrids (MGs), sequentially energize non-blackstart units, and restore loads. However, these approaches often result in isolated MGs. In DERs-aided blackstart, the continuous operation of these MGs is limited by the finite energy capacity of commonly used blackstart units like battery energy storage (BES)-based gridforming inverters (GFMIs). To address this issue, this article proposes a holistic blackstart and restoration framework that incorporates synchronization between dynamic MGs and the entire DS with the transmission grid (TG). To support synchronization, we leveraged virtual synchronous generator-based control for GFMIs to estimate their frequency response to load pick-up events using only initial/final quasi-steady-state points. Subsequently, a synchronization switching condition is developed to model synchronizing switches, aligning them seamlessly with a linearized branch flow problem. Finally, we designed a bottomup blackstart and restoration framework that considers the switching structure of the DS, energizing/synchronizing switches, DERs with grid-following inverters, and BES-based GFMIs with frequency security constraints. In conclusion, the proposed framework is validated in IEEE-123-bus system, considering cases with two and four GFMIs under various TG recovery instants.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1998

A Formal Approach for Designing and Evaluating Procedures

Operator interaction with modern control systems is a topic of great concern in high-risk industries such as nuclear power and commercial aviation. The issues associated with such systems focus on the ability of the operators (e.g., pilots) to achieve mission goals safely while containing failures. Operators must be able to interact safely and reliably with highly automatic and complex systems across the full spectrum of possible operating conditions, including normal, abnormal, and emergency situations. In environments such as commercial aviation, operator interaction with the machine is specified through a set of standard operating procedures (SOP). A procedure represents a collective agreement on the 'best' way to perform a given task. The intent of this paper is to suggest a formal methodology, for designing and evaluating procedures, that is both reliable and systematic. Our approach involves two major elements: a model of the machine and a list of the operator's task specifications (goals). We use formal modeling paradigms for describing the system and super-imposing on it the operator's tasks. Such paradigms, based on recent frameworks such as Statecharts and Hierarchical Hybrid Machines appear to be adequate methods for analyzing operator interaction with modern control systems. To illustrate this methodology, we model and analyze the sequence of actions for an emergency procedure. The procedure, Irregular Engine Start, for a medium-range aircraft, specifies the sequence of immediate actions that must be performed by the crew to avoid an uncontrolled rise in engine temperature during start-up. A model of engine behavior during a hot start is constructed. It also describes the various actions that can be taken by the crew and the resulting outcomes. The model is then opened up as a tree of all possible action sequences. This action tree allows us to trace the correct sequences necessary to achieve the desired end-goal (secure and shut down of the engine). In conclusion, we argue that the current process of designing and evaluating procedures can be improved. We discuss the implications of this approach for designing and evaluating this and other types of procedures. We conclude with insights about the benefits and limitation of this methodology, and offer suggestions for future research.

Degani, Asaf↗

DOE OSTI2024

Thermo-Fluid Modeling Framework for Supercomputing Digital Twins: Part 2, Automated Cooling Models

The development of digital twins for the purpose of improving the energy efficiency of supercomputing facilities is a non-trivial endeavor that is complicated by the difficulty of creating physics-based thermo-fluid cooling system models (CSMs). Within ExaDigit---an open-source framework for liquid-cooled supercomputing digital twins---a thermo-fluid modeling framework is being developed. This effort has been segmented into two with two companion papers describing each portion of the overall effort. Part 1 focuses on the development of a cooling system library in Dymola for the Frontier supercomputer at Oak Ridge National Laboratory {\cite{Kumar2024}. Part 2, this paper, describes an effort to create a template-based auto-generation methodology for CSMs, called \textit{AutoCSM}. In this paper, an overview of the initial AutoCSM architecture and workflow is provided, along with a practical example using the Oak Ridge Leadership Computing Facility's (OLCF) Frontier supercomputer CSM. AutoCSM will (1) improve ExaDigiT's user accessibility by providing a flexible workflow for modularizing the creation of the CSM system and control logic, (2) decrease the development time of CSMs, and (3) standardize the method for incorporating CSMs into the ExaDigiT framework.

Greenwood, Scott↗

DOE OSTI2024

Cy-Phy ADS: Cyber Physical Anomaly Detection Framework for EV Charging Systems

Today’s large-scale Electric Vehicle (EV) infrastructures are heavily dependent on information communication technologies to maintain their operation and to support communication within sub-system components as well as the outside world. These technologies are vulnerable to various cyber and physical threats. Timely identification and mitigation of these threats are critical for improving human safety, avoiding economic losses, and preventing catastrophic system failures. By addressing this, our work presents a ResNet Autoencoder (AE) based Cyber-Physical Anomaly Detection System (Cy-Phy ADS) for detecting anomalies in EV Controller Area Network (CAN) protocol communication. It consists of four main components: Cyber-Physical Feature Extractor, ResNet AE-based Anomaly Detection Framework, Cyber-Physical Health Metric (CPHM), and Visualization Dashboard. The presented framework was trained and tested using CAN data collected from the EV charging system testbed at the Idaho National Laboratory. The presented Cy-Phy ADS compared against six widely used unsupervised anomaly detection algorithms: One Class Support Vector Machine (OCSVM), Variational Autoencoder (VAE), LSTM Autoencoder (LSTM AE), Isolation Forest (IForest), Principle Component Analysis (PCA) and Local Outlier Factor (LOF). Here the presented approach showed the highest accuracy among the compared methods. Further, the proposed approach showed comparable performance in terms of precision, F1, and False positive rate. It also showed the lowest training and inference time compared to the neural network-based baseline algorithms compared against with. Additionally, the Cy-Phy ADS has advantages such as unsupervised training, the ability to provide a holistic metric for system health characterization, and non-linear feature extraction.

99 GENERAL AND MISCELLANEOUS↗