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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Optimization of Interlayer/CrWN Bilayer Films Fabricated and Monitored under Shewhart Control

Chromium tungsten nitride (CrWN) films were deposited onto SUS 304 stainless steel, cutter inserts and glass substrates using direct current reactive magnetron sputtering, with pure W and Cr metal targets. The deposition parameters for the interlayer (W and WN) with multiple qualities were optimized using the gray Taguchi method. The microstructure of these coatings was determined using x-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy and transmission electron microscopy. The results showed that the mechanical properties of bilayer samples with an interlayer of WN nitride film are superior to those with a W metal interlayer. Moreover, increasing the N{sub 2}/(N{sub 2} + Ar) flow ratio and working pressure enhanced the microhardness and the elastic recovery for coatings with an interlayer/CrWN bilayer. Dry milling tests also showed that bilayer film coatings have better mechanical performance. This increase in multiple performance characteristics is attributed to a bilayer that is manufactured using the gray Taguchi method. Control charts, which are powerful tools and widely used, were employed to monitor and ensure high-quality fabrication of the interlayer/CrWN bilayer and to show the coating processes to be stable and well regulated.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Understanding the effect of friction stir processing on electrical steel: Microstructural changes and mechanical transformations

Raising Si beyond 3.5 wt% reduces core loss but embrittles electrical steels, constraining processing and application. Here we assess friction stir processing (FSP) as a solid‑state route to enable Fe–4.0 wt% Si with improved mechanical performance. Temperature‑controlled FSP with a PcBN tool produced a defect‑free processed zone. SEM/EBSD revealed dynamic recrystallization and grain refinement from an average 110 μm in the base material to ∼20 μm in the processed region, with ∼ 80% of grains < 40 μm and a reduction in high‑angle boundary fraction to ∼65% (vs >85% in the base). Comparative mechanical property analysis shows a moderate increase in yield strength in FSP samples relative to the base material, with a significant improvement in ductility (∼35–50%). Post‑fracture EBSD identified 60° twin boundaries in the base while sub-grain formation with elevated KAM in the FSP sample. Fractography revealed a shift from quasi‑cleavage in the Base-faceted planes with river patterns, steps, and occasional secondary cracks—to ductile micro void coalescence after FSP. Following FSP, the material retains soft‑magnetic behavior, with modest shifts in saturation magnetization consistent with grain refinement and stored strain, accompanied by a clear gain in formability. These results indicate that FSP provides a viable route to deploy higher‑Si electrical steels with concurrent gains in strength and ductility.

Electrical steel↗
DOE OSTI2024

Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents

Deep eutectic solvents (DESs) are emerging as environmentally friendly designer solvents for mass transport and heat transfer processes in industrial applications; however, the lack of accurate tools to predict and thus control their viscosities under both a range of environmental factors and formulations hinders their general application. While DESs may serve as designer solvents, with nearly unlimited combinations, this unfortunately makes it experimentally infeasible to comprehensively measure the viscosities of all DESs of potential industrial interest. To assist in the design of DESs, we have developed several new machine learning (ML) models that accurately and rapidly predict the viscosities of a diverse group of DESs at different temperatures and molar ratios using, to date, one of the most comprehensive data sets containing the properties of over 670 DESs over a wide range of temperatures (278.15–385.25 K). Three ML models, including support vector regression (SVR), feed forward neural networks (FFNNs), and categorical boosting (CatBoost), were developed to predict DES viscosity as a function of temperature and molar ratio and contrasted with multilinear and two-factor polynomial regression baselines. Further, quantum chemistry-based, COSMO-RS-derived sigma profile (σ-profile) features were used as inputs for the ML models. The CatBoost model is excellent at externally predicting DES viscosity, as indicated by high R 2 (0.99) and low root-mean-square-error (RMSE) and average absolute relative deviations (AARD) (5.22%) values for the testing data sets, and 98% of the data points lie within the 15% of AARD deviations. Furthermore, SHapley additive explanation (SHAP) analysis was employed to interpret the ML results and rationalize the viscosity predictions. The result is an ML approach that accurately predicts viscosity and will aid in accelerating the design of appropriate DESs for industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Development of light-responsive protein binding in the monobody non-immunoglobulin scaffold

Abstract Monobodies are synthetic non-immunoglobulin customizable protein binders invaluable to basic and applied research, and of considerable potential as future therapeutics and diagnostic tools. The ability to reversibly control their binding activity to their targets on demand would significantly expand their applications in biotechnology, medicine, and research. Here we present, as proof-of-principle, the development of a light-controlled monobody (OptoMB) that works in vitro and in cells and whose affinity for its SH2-domain target exhibits a 330-fold shift in binding affinity upon illumination. We demonstrate that our αSH2-OptoMB can be used to purify SH2-tagged proteins directly from crude E. coli extract, achieving 99.8% purity and over 40% yield in a single purification step. By virtue of their ability to be designed to bind any protein of interest, OptoMBs have the potential to find new powerful applications as light-switchable binders of untagged proteins with the temporal and spatial precision afforded by light.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Understanding chemical and physical mechanisms in atomic layer deposition

Atomic layer deposition (ALD) is a powerful tool for achieving atomic level control in the deposition of thin films. However, several physical and chemical phenomena can occur which cause deviation from “ideal” film growth during ALD. Understanding the underlying mechanisms that cause these deviations is important to achieving even better control over the growth of the deposited material. Herein, we review several precursor chemisorption mechanisms and the effect of chemisorption on ALD growth. We then follow with a discussion on diffusion and its impact on film growth during ALD. Together, these two fundamental processes of chemisorption and diffusion underlie the majority of mechanisms which contribute to material growth during a given ALD process, and the recognition of their role allows for more rational design of ALD parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

MASTODON: An Open-Source Software for Seismic Analysis and Risk Assessment of Critical Infrastructure

Seismic analysis and risk assessment of safety-critical infrastructure like hospitals, nuclear power plants, dams, and facilities handling radioactive materials involve computationally intensive numerical models and coupled multiphysics scenarios. They are also performed in a strict regulatory environment that requires high software quality assurance standards, and in the case of safety-related nuclear facilities, a conformance to the American Society of Mechanical Engineers Nuclear Quality Assurance (NQA-1) standard. This paper introduces the open-source finite-element software, MASTODON (Multi-hazard Analysis of Stochastic Time-Domain Phenomena), which implements state-of-the-art seismic analysis and risk assessment tools in a quality-controlled environment. MASTODON is built on MOOSE (Multi-physics Object-Oriented Simulation Environment), which is a highly parallelizable, NQA-1 conforming, coupled multiphysics, finite-element framework developed at Idaho National Laboratory. MASTODON is capable of fault rupture and source-to-site wave propagation using the domain reduction method, nonlinear site response, and soil-structure interaction analysis, implicit and explicit time integration, automated stochastic simulations, and seismic probabilistic risk assessment. When coupled with other MOOSE applications, MASTODON can also solve strongly and weakly coupled multiphysics problems. This paper presents a summary of the capabilities of MASTODON and some demonstrative examples.

42 ENGINEERING↗
DOE OSTI2026

From Cell to System: Accelerated hpc Simulations of BESS Aging under Frequency Regulation and Arbitrage use cases

Lithium-ion battery energy storage systems (BESS) packs have emerged as a leading solution for grid-scale energy storage, enhancing resiliency and balancing load fluctuations. Yet, experimental characterization of large-format LIB packs-particularly to assess performance and degradation over hundreds of cycles - demands substantial hardware investment and multi-year testing campaigns. In this work, we couple a hierarchical, physics-based modeling framework agnostic to electrode chemistries with high-performance computing to accelerate systems level evaluation by upto two orders of magnitude. Building on the open-source liionpack platform, we implement cell, module, and pack-scale electrochemical models enriched with mechanistic aging mechanisms and deploy them on an HPC cluster to simulate 150−200kWh systems over 500 - 1,000 cycles with in days. We subject these virtual B ESS to both constant-current cycling and realistic grid service profiles spanning frequency regulation, ramp-rate support, and energy arbitrage-and quantify the resulting degradation patterns. Our results reveal that localized cell aging can induce substantial nonuniformity at module and pack levels, with service-specific cycling protocols driving distinct aging modes. This rapid, multiscale modeling approach provides a powerful design-space exploration tool for optimizing electrical architecture, control strategies, and operational schedules to prolong pack lifetime and lower total cost of ownership.

Ayalasomayajula, Surya [ORNL] (ORCID:0009000860788↗
DOE OSTI2024

Quantitative Correction of Ohmic Effects on Square Wave Voltammetry for High-Concentration Soluble-Soluble Redox Reactions in Molten Salts

Molten salts are of particular interest for a variety of industrial applications. As such, accurate characterization of species’ concentrations within the molten salt media is critical to ensure a well-controlled unit operation. Although electroanalytical tools are properly suited for precise in situ monitoring in these systems, uncompensated ohmic resistance R Ω can lead to erroneous, technique-dependent results. Using numerical simulations applied to a model system, this work will first illustrate then quantify the extent to which R Ω attenuates square wave voltammograms. This approach allows for post-experiment correction that leads to converging results across voltammetric techniques and facilitates accurate predictions of species’ concentrations.

Shaheen, Nora A. [Argonne National Laboratory (ANL↗
DOE OSTI2024

E3SMFC

SAND2025-01123O E3SMFC is a software tool that integrates a feedback controller algorithm into the E3SM climate model to regulate sulfur dioxide injection, aiming to achieve specific climate outcomes. The program uses proportional-integral-derivative feedback control to adjusts sulfur dioxide levels in both spatial and temporal dimensions. It will only operate on computers that can run the DOE climate model E3SM. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Ojetola, Samuel↗
DOE OSTI2025

TR-XPS Realtime Analysis Tool (ArroyoXPS) v0.1

The ALS has developed a Time-Resolved X-ray Photoelectron Spectroscopy (TR-XPS) technique, which involves applying a specific pattern of voltage curves to a sample while measuring XPS peaks. This pattern is repeated over multiple cycles, and changes in the material's response provide valuable scientific insights. Traditionally, file-based analysis workflows have been used: scans are run for a predetermined time, and after one or more scans are complete, calculations are made. ArroyoXPS changes this by offering in-experiment scan and analysis, allowing researchers to gain insights before a scan is finished. This enables them to adjust experimental parameters quickly, potentially saving valuable beamtime. ArroyoXPS includes tools for integrating with beamline control systems, performing analysis, and visualizing scan data in a web browser.

McReynolds, Dylan [Lawrence Berkeley National Labo↗
DOE OSTI2024

New Insertion Device Control System for the APS Upgrade

New Hybrid Permanent Magnet Undulators (HPMUs) have been designed and manufactured using servo motors for precise and reliable gap motion control for the Advanced Photon Source Upgrade (APS-U) project. Meanwhile, existing HPMUs equipped with legacy stepper motors are systematically replaced with servo motors. In parallel with mechanical modifications of the undulators, a comprehensive upgrade has been implemented for the control of the devices. This upgrade includes integration of standardized industrial components for replacement of motor controllers and motor drives using the Kollmorgen Programmable Controller Multi-axis Master (PCMM) controllers and the AKD2G series servo drives. Soft Input Output Controllers (IOCs) are developed and deployed to replace the legacy VME-based IOCs for both single-period undulators and Revolver undulators. In this paper, we will present the architecture of the new insertion device control system, including control mechanisms, interlock protocols, and tools for diagnostics and troubleshooting.

Li, W.↗
DOE OSTI2024

Radiation Safety Information Computational Center (RSICC) [Slides]

This presentation touches on the Radiation Safety Information Computational Center (RSICC). This Lecture provides general mission, statistics, and strategies. A general background is provided of the tool. Licensee agreements and export control agreements are discussed. The presentation finishes with a look at the most in demand and requested software packages.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Induction brazing manual

Manual presents standards and techniques which are known or are particular to specific industry, and is useful as guide in closing tolerance brazing. Material and equipment specifications, tool setting tables, and quality control data and instructions are included. Since similar standards are available, manual is supplementary reference.

Source record↗
NASA NTRS1971

Remote Sensing of Water Pollution

Remote sensing, as a tool to aid in the control of water pollution, offers a means of making rapid, economical surveys of areas that are relatively inaccessible on the ground. At the same time, it offers the only practical means of mapping pollution patterns that cover large areas. Detection of oil slicks, thermal pollution, sewage, and algae are discussed.

White, P. G.↗
NASA NTRS1974

Fabrication of 1/3 scale boron/epoxy booster thrust structure, phase 2

The design, materials, tooling, various manufacturing processes, quality control, test procedures, and results associated with the fabrication and testing of a 1/3 scale boron/epoxy, booster thrust structure are described. A complete two-dimensional truss type thrust structure, comprised of nine boron/epoxy tubular members and six apex fittings, was fabricated. This resulted in structurally representative flight hardware, and verified the manufacturing feasibility and projected weight savings (30%) for this type of structure.

Source record↗
NASA NTRS1978

Approximate dynamic model of a turbojet engine

An approximate dynamic nonlinear model of a turbojet engine is elaborated on as a tool in studying the aircraft control loop, with the turbojet engine treated as an actuating component. Approximate relationships linking the basic engine parameters and shaft speed are derived to simplify the problem, and to aid in constructing an approximate nonlinear dynamic model of turbojet engine performance useful for predicting aircraft motion.

Artemov, O. A.↗
NASA NTRS1981

A chamber design for closed ecological systems research

A single-plant growth chamber is described which is closed with respect to nutrient and gas flows, in order to serve as a tool in the investigation of control over biological systems. Such control procedures are essential for the use of biological components in the development of a closed ecological life support system (CELSS). The chamber's design consists of two concentric clear plastic cylinders equipped with aeroponic feed tubing, a supporting platform for the plant and a set of sensors that includes an anemometer, thermistors, pressure and strain gauges, and humidity sensors.

Schwartzkopf, H.↗
NASA NTRS1982

Investigation of energy management strategies for photovoltaic systems - An analysis technique

Progress is reported in formulating energy management strategies for stand-alone PV systems, developing an analytical tool that can be used to investigate these strategies, applying this tool to determine the proper control algorithms and control variables (controller inputs and outputs) for a range of applications, and quantifying the relative performance and economics when compared to systems that do not apply energy management. The analysis technique developed may be broadly applied to a variety of systems to determine the most appropriate energy management strategies, control variables and algorithms. The only inputs required are statistical distributions for stochastic energy inputs and outputs of the system and the system's device characteristics (efficiency and ratings). Although the formulation was originally driven by stand-alone PV system needs, the techniques are also applicable to hybrid and grid connected systems.

Cull, R. C.↗