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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Ultrafast Melting at Metal-Semiconductor Interfaces: A Molecular Dynamics Study

Quantifying the thermodynamics of interfacial melting is important for several applications such as laser machining and designing radiation hardened electronic devices. Due to the short time and length scales that are involved in the process, molecular simulations provide an ideal path for understating the interfacial melting phenomena. In this work we investigate tungsten (W) – silicon carbide (SiC) interfaces which are relevant in modern high-power electronic devices. Classical molecular dynamics simulations along with the two-temperature model (TTM) were used to study the radiation induced melting of the interface while a neural network-based machine learning framework was used to track the transient re-crystallization process. The damage endured by the semiconductor at the interface following the radiation event is discussed in detail while the re-crystallization of the metal is described in terms of the classical nucleation theory.

Ashwin Ravichandran↗
DOE OSTI2025

Structure-guided utilization of lignocellulose for catalysis, energy, and biomaterials

As a complex composite of cellulose, hemicellulose, and lignin, plant lignocellulose has long served as a major resource for biomass conversion, materials engineering, and bio-based product development. High-resolution structural insights enabled by solid-state nuclear magnetic resonance (ssNMR) now allow the mapping of polymer interfaces, identification of functional group accessibility, and tracking of molecular organization during processing, all of which are critical factors for optimizing catalytic strategies. These insights could drive transformative progress in lignocellulose-based applications, including selective depolymerization, improved pretreatment design, and efficient upcycling of lignin into resins, plastics, and biomedical materials. In industry-relevant contexts, such as biofuel generation and renewable material manufacturing, understanding the hydration dynamics, cross-linking patterns, and structural heterogeneity is also essential. The ability to visualize these features in native biomass presents a unique opportunity to develop new strategies for sustainability and performance. As the structural toolbox continues to expand, it is becoming a central enabler for innovations in renewable energy, green chemistry, and advanced bioproducts.

bioproduct↗
DOE OSTI2023

JGI Plant Gene Atlas: an updateable transcriptome resource to improve functional gene descriptions across the plant kingdom

Abstract Gene functional descriptions offer a crucial line of evidence for candidate genes underlying trait variation. Conversely, plant responses to environmental cues represent important resources to decipher gene function and subsequently provide molecular targets for plant improvement through gene editing. However, biological roles of large proportions of genes across the plant phylogeny are poorly annotated. Here we describe the Joint Genome Institute (JGI) Plant Gene Atlas, an updateable data resource consisting of transcript abundance assays spanning 18 diverse species. To integrate across these diverse genotypes, we analyzed expression profiles, built gene clusters that exhibited tissue/condition specific expression, and tested for transcriptional response to environmental queues. We discovered extensive phylogenetically constrained and condition-specific expression profiles for genes without any previously documented functional annotation. Such conserved expression patterns and tightly co-expressed gene clusters let us assign expression derived additional biological information to 64 495 genes with otherwise unknown functions. The ever-expanding Gene Atlas resource is available at JGI Plant Gene Atlas (https://plantgeneatlas.jgi.doe.gov) and Phytozome (https://phytozome.jgi.doe.gov/), providing bulk access to data and user-specified queries of gene sets. Combined, these web interfaces let users access differentially expressed genes, track orthologs across the Gene Atlas plants, graphically represent co-expressed genes, and visualize gene ontology and pathway enrichments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Ephemeral antibubbles: Spatiotemporal evolution from direct numerical simulations

Antibubbles, which consist of a shell of a low-density fluid inside a high-density fluid, have several promising applications. We show, via extensive direct numerical simulations (DNSs), in both two and three dimensions, that the spatiotemporal evolution of antibubbles can be described naturally by the coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations for a binary fluid. Our DNSs capture elegantly the gravity-induced thinning and breakup of an antibubble via the time evolution of the Cahn-Hilliard scalar-order-parameter field $\phi$, which varies continuously across interfaces, so we do not have to enforce complicated boundary conditions at the moving antibubble interfaces. To ensure that our results are robust, we supplement our CHNS simulations with sharp-interface volume-of-fluid DNSs. We track the thickness of the antibubble and calculate the dependence of the lifetime of an antibubble on several parameters; we show that our DNS results agree with various experimental results; in particular, the velocity with which the arms of the antibubble retract after breakup scales as σ 1/2 , where σ is the surface tension.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Truchas-Flow

The truchas flow algorithm is designed for simulating the behavior of incompressible (but not necessarily constant density) fluids on unstructured meshes while allowing for solid and void phases to serve as moving boundaries. The interface between fluids, solids and void is tracked via a geometric volume of fluid approach. This allows for a single fluid formulation of the governing equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Experiments in teleoperator and autonomous control of space robotic vehicles

A research program and strategy are described which include fundamental teleoperation issues and autonomous-control issues of sensing and navigation for satellite robots. The program consists of developing interfaces for visual operation and studying the consequences of interface designs as well as developing navigation and control technologies based on visual interaction. A space-robot-vehicle simulator is under development for use in virtual-environment teleoperation experiments and neutral-buoyancy investigations. These technologies can be utilized in a study of visual interfaces to address tradeoffs between head-tracking and manual remote cameras, panel-mounted and helmet-mounted displays, and stereoscopic and monoscopic display systems. The present program can provide significant data for the development of control experiments for autonomously controlled satellite robots.

Alexander, Harold L.↗
NASA NTRS1993

Analysis of open-loop conical scan pointing error and variance estimators

General pointing error and variance estimators for an open-loop conical scan (conscan) system are derived and analyzed. The conscan algorithm is modeled as a weighted least-squares estimator whose inputs are samples of receiver carrier power and its associated measurement uncertainty. When the assumptions of constant measurement noise and zero pointing error estimation are applied, the variance equation is then strictly a function of the carrier power to uncertainty ratio and the operator selectable radius and period input to the algorithm. The performance equation is applied to a 34-m mirror-based beam-waveguide conscan system interfaced with the Block V Receiver Subsystem tracking a Ka-band (32-GHz) downlink. It is shown that for a carrier-to-noise power ratio greater than or equal to 30 dB-Hz, the conscan period for Ka-band operation may be chosen well below the current DSN minimum of 32 sec. The analysis presented forms the basis of future conscan work in both research and development as well as for the upcoming DSN antenna controller upgrade for the new DSS-24 34-m beam-waveguide antenna.

Alvarez, L. S.↗
NASA NTRSDate not supplied

OSIRIS-REx Earth Return & Entry: Navigation Operations & Lessons Learned

The Origins, Spectral Interpretation, Resource Identification, and Security–Regolith Explorer (OSIRIS-REx) spacecraft successfully returned to Earth on September24, 2024, safely delivering its Sample Return Capsule (SRC) to the Utah Test and Training Range (UTTR). This paper describes the navigation operations that occurred between the departure from Bennu and the return of the SRC. An overview is given of the Flight Dynamics System (FDS) that includes tracking, orbit determination (OD), maneuver planning, and interfaces with entry, descent, and landing. Operational details on the SRC release criteria and conjunction assessment considerations are also provided. Lessons learned are presented that may help future sample return or interplanetary entry missions.

Kenneth M. Getzandanner↗
DOE OSTI2025

Automating Anomaly Detection for Target systems at Spallation Neutron Source

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory, produces the world’s most intense pulse neutrons beams. An accelerated proton beam is directed into a mercury target to generate neutrons via spallation. The target system accounted for over 40% of the overall downtime of the facility in 2022. Thus, early detection in anomalies in the target systems can enable taking corrective actions to avoid failures and reduce downtime. Fault prognostics and anomaly detection in accelerators, both at SNS and outside, has largely focused on the beam side. This paper presents one the first studies exploring leveraging machine learning to automate the detection of anomalies in the target system. The target system consists of over 30 different interconnected subsystems, and the present work focuses on the mercury process system as a use case. Analyzing data from 28 process variables from 2022 and 2023, tree-based and reconstruction-based algorithms are employed to detect anomalies in archived data. The algorithms detected previously unreported anomalies, several of which were deemed alert worthy by human experts, particularly those found by reconstruction-based algorithms. Using data from each production run in the accelerator increased the generalizability of the models in time. Efforts are now underway to implement a workflow for incorporating human feedback to update the models and evaluating performance on unseen data. The models will eventually be integrated into the existing System Tracking and Reliability system with a web interface for automated anomaly detection and reporting along with a pathway for incorporating human feedback for model updates.

Raj, Anant [ORNL] (ORCID:0000000306711244)↗
NASA NTRS2010

The Waypoint Planning Tool: Real Time Flight Planning for Airborne Science

NASA Earth science research utilizes both spaceborne and airborne real time observations in the planning and operations of its field campaigns. The coordination of air and space components is critical to achieve the goals and objectives and ensure the success of an experiment. Spaceborne imagery provides regular and continual coverage of the Earth and it is a significant component in all NASA field experiments. Real time visible and infrared geostationary images from GOES satellites and multi-spectral data from the many elements of the NASA suite of instruments aboard the TRMM, Terra, Aqua, Aura, and other NASA satellites have become norm. Similarly, the NASA Airborne Science Program draws upon a rich pool of instrumented aircraft. The NASA McDonnell Douglas DC-8, Lockheed P3 Orion, DeHavilland Twin Otter, King Air B200, Gulfstream-III are all staples of a NASA's well-stocked, versatile hangar. A key component in many field campaigns is coordinating the aircraft with satellite overpasses, other airplanes and the constantly evolving, dynamic weather conditions. Given the variables involved, developing a good flight plan that meets the objectives of the field experiment can be a challenging and time consuming task. Planning a research aircraft mission within the context of meeting the science objectives is complex task because it is much more than flying from point A to B. Flight plans typically consist of flying a series of transects or involve dynamic path changes when "chasing" a hurricane or forest fire. These aircraft flight plans are typically designed by the mission scientists then verified and implemented by the navigator or pilot. Flight planning can be an arduous task requiring frequent sanity checks by the flight crew. This requires real time situational awareness of the weather conditions that affect the aircraft track. Scientists at the University of Alabama-Huntsville and the NASA Marshall Space Flight Center developed the Waypoint Planning Tool, an interactive software tool, that enables scientists to develop their own flight plans (also known as waypoints) with point-and-click mouse capabilities on a digital map draped with real time satellite imagery. The Waypoint Planning Tool has further advanced to include satellite orbit predictions and seamlessly interfaces with the Real Time Mission Monitor which tracks the aircraft s position when the planes are flying. This presentation will describe the capabilities and features of the Waypoint Planning Tool highlighting the real time aspect, interactive nature and the resultant benefits to the airborne science community.

He, Yubin↗
DOE OSTI2026

Conversational Grid Storage: Bridging Rucio and LLMs with Model Context Protocol

Experiments at Fermilab use Rucio to handle datasets that can be up to exabyte scale. However, navigating through Rucio’s syntax-heavy Command Line Interface (CLI) is a major workflow obstruction for researchers who just want to check quotas, track data identifiers (DIDs), or locate data sets. This project introduces a natural language interface. By building a containerized Model Context Protocol (MCP) server, an AI agent is created that translates plain English queries into data operations.

Akella, Kashyap [Fermilab; Illinois U., Urbana (ma↗
NASA NTRS1971

Modular space station Phase B extension preliminary performance specification. Volume 2: Project

The four systems of the modular space station project are described, and the interfaces between this project and the shuttle project, the tracking and data relay satellite project, and an arbitrarily defined experiment project are defined. The experiment project was synthesized from internal experiments, detached research and application modules, and attached research and application modules to derive a set of interface requirements which will support multiple combinations of these elements expected during the modular space station mission. The modular space station project element defines a 6-man orbital program capable of growth to a 12-man orbital program capability. The modular space station project element specification defines the modular space station system, the premission operations support system, the mission operations support system, and the cargo module system and their interfaces.

Source record↗
DOE OSTI2024

Lithium inventory tracking as a non-destructive battery evaluation and monitoring method

Tracking the active lithium (Li) inventory in an electrode shows the true state of a Li battery, akin to a fuel gauge for an engine. However, non-destructive Li inventory tracking is currently unavailable. Here, in this work, we used the theoretical capacity of a transition metal oxide to convert capacity into a Li inventory analysis. The Li inventory in electrodes was tracked reliably to show how battery formulations and test methods affect performance. Contrary to capacity, Li inventory tracking reveals stoichiometric variations near the electrode–electrolyte interface. Verifiable results rationalized differences in measurements, clarifying and reducing interferences from cell formulations and experimental manipulations. By tracing four variables from formation to end-of-life, we characterize electrode and cell performance with a thermodynamic framework. Accurate rationalization of subtle differences in Li inventory utilization promises precise battery engineering, evaluation, failure analysis and risk mitigation. The method could be applicable from cell design optimization and fabrication to battery management, improving battery performance and reliability.

25 ENERGY STORAGE↗
DOE OSTI2026

Particle Tracking Methods for Battery Precipitation Reactions

Precipitation and deposition reactions at solid–liquid interfaces play a key role in a number of battery chemistries, including Li-ion, so-called “anode free” batteries, zinc-based battery chemistries, and lithium–sulfur, among others. Although models with heterogeneous nucleation and growth phenomena are present in the literature, papers have not to date provided much detail on the numerical algorithms used to track the temporal evolution of the particle size distribution of deposits on electrode surfaces. In this paper we examine several approaches to discretize and track the particle size distribution, demonstrating that common approaches lead to anomalous flattening of the particle size distribution. We conclude by presenting an algorithm that preserves the appropriate particle size distribution during particle growth.

Algorithms↗
DOE OSTI2026

An efficient level set method for tracking many materials

Here, we present an efficient level set method to track an arbitrary number of materials. The algorithm is optimal in the sense that it only needs to store a single unsigned distance-like function and a single integer indicator function, independent of the number of materials or distinct regions being tracked. Furthermore, for smooth velocity fields and smooth interface shape, arbitrarily high order solutions can be demonstrated. For interfaces that are or become kinked, the solution is limited to second-order convergence rates in the L 1 norm and first-order in the L ∞ norm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Resolving the Evolution of Atomic Layer-Deposited Thin-Film Growth by Continuous In Situ X-Ray Absorption Spectroscopy

In situ synchrotron X-ray absorption near-edge structure characterization of thin-film titania growth by atomic layer deposition (ALD) over ZnO nanowires reveals persistent low-coordinated Ti motifs leading to a new picture of ALD growth. Through the design of growth and measurement cycles, Ti K-edge spectral data are continuously recorded so as to characterize the film evolution as a function of ALD cycle number and the surface changes within the time scale of the ALD cycle. A unified set of analysis tools is developed to interpret the time-series of spectral data. A prenucleation stage of growth, a transition region, and then a steady-state growth stage are observed with distinguishable features. Multivariate curve resolution analysis, that is physically constrained, demonstrates two specific spectral components with associated, time-dependent concentrations. The bulk-film component tracks the stages of growth. The surface and interface components, present throughout the stages of growth, reveal a significant coverage of relatively isolated or loosely networked tetrahedrally coordinated Ti atomic motifs. Lastly, spectral signatures for the intra-cycle growth kinetics are reconstructed at a time resolution of ~1 s and demonstrate that the transient Ti motifs on the growing surface stabilize within a few seconds of the Ti precursor pulse.

36 MATERIALS SCIENCE↗