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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 OSTI2021

Soft X-ray measurements of transport and MHD activity in the core and edge NSTX plasma (Final Technical Report)

A comprehensive suite of innovative diagnostic instrumentation and techniques has been developed by the Johns Hopkins collaboration for measurements of transport and MHD activity in the core and edge of the National Spherical Torus Experiment (NSTX) at the Princeton Plasma Physics Laboratory (PPPL). These include ultrafast multi-energy poloidal soft X-ray arrays, high spatial resolution multi-energy tangential soft X-ray arrays, high spectral resolution transmission grating imaging VUV spectrometers and ultrafast bolometric arrays, which measure over a broad range of spatial, spectral, and temporal scales the emission from ohmic, RF, and beam driven NSTX plasmas. The instrumentation was designed to fulfill the specific measurement needs of the Spherical Torus (ST) magnetic fusion concept and is accompanied by a comprehensive set of numerical tools for data analysis and modeling, aimed at determining as many as possible plasma parameters and at extracting as much as possible physics information from NSTX experiments. The Johns Hopkins diagnostics have been and continue to be instrumental for essentially all the NSTX experiments. In addition, our own research and experiments using these diagnostics has led over the years to fundamental conclusions for the ST fusion physics, such as the establishment of near neoclassical impurity transport in the NSTX core and edge plasma, and the critical role of the Global Alfven Eigenmode (GAE) MHD activity for the ST core electron thermal transport. The Johns Hopkins Diagnostics continue to be operational on the upgraded NSTX-U and will provide key plasma information in its upcoming high field, current and power experimental campaigns. The present report summarizes the main technical characteristics and measurement capabilities of the diagnostic instrumentation and methods developed within our research and describes a key physics result achieved during this research. Success in our research was made possible also by the excellent support and cooperation of the NSTX research team and of PPPL researchers, who are warmly acknowledged here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Carbon‐Neutral Pathways for the United States

Abstract The Intergovernmental Panel on Climate Change (IPCC) Special Report on Global Warming of 1.5°C points to the need for carbon neutrality by mid‐century. Achieving this in the United States in only 30 years will be challenging, and practical pathways detailing the technologies, infrastructure, costs, and tradeoffs involved are needed. Modeling the entire U.S. energy and industrial system with new analysis tools that capture synergies not represented in sector‐specific or integrated assessment models, we created multiple pathways to net zero and net negative CO 2 emissions by 2050. They met all forecast U.S. energy needs at a net cost of 0.2–1.2% of GDP in 2050, using only commercial or near‐commercial technologies, and requiring no early retirement of existing infrastructure. Pathways with constraints on consumer behavior, land use, biomass use, and technology choices (e.g., no nuclear) met the target but at higher cost. All pathways employed four basic strategies: energy efficiency, decarbonized electricity, electrification, and carbon capture. Least‐cost pathways were based on >80% wind and solar electricity plus thermal generation for reliability. A 100% renewable primary energy system was feasible but had higher cost and land use. We found multiple feasible options for supplying low‐carbon fuels for non‐electrifiable end uses in industry, freight, and aviation, which were not required in bulk until after 2035. In the next decade, the actions required in all pathways were similar: expand renewable capacity 3.5 fold, retire coal, maintain existing gas generating capacity, and increase electric vehicle and heat pump sales to >50% of market share. This study provides a playbook for carbon neutrality policy with concrete near‐term priorities.

Williams, James H.↗
DOE OSTI2022

DER Cybersecurity Detection and Response Suite

SAND2024-08475O The Distributed Energy Resource (DER) Cybersecurity Detection and Response Suite is a solution for distributed energy resource (DER) systems. The DER Security Orchestration, Automation, and Response (SOAR) solution that uses alerts from signature- and behavior-based Intrusion Detection Systems are intended to be deployed as bump-in-the-wire (BITW) devices in front of DER equipment. The fielded application would use multiple intrusion detection systems that report data to SOAR to respond to cyberattacks. The suite consists of two software components: • The proactive intrusion detection and mitigation system (PIDMS) secures grid-edge photovoltaic smart inverters and other equipment in distributed energy resource systems. It is a distributed BITW solution; cyber and physical data are automatically processed using network inspection tools and custom machine learning algorithms to detect abnormal events and correlate cyber-physical events. • The Security Orchestration, Automation, and Response for Distributed Energy Resources (SOAR4DER) application ingests data from several intrusion detection systems to quickly block attacks and revert DER systems to good states. Using a collection of intrusion detection system technologies on a BITW device, it incorporates physical and cyber data to detect abnormal and potential malicious behaviors. Multiple SOAR playbooks then use the intrusion detection system data streams to automatically defend the system. SOAR4DER system testing showed detection and response times under 30 seconds for all adversary reconnaissance, denial-of-service attacks, malicious Modbus commands, brute-force logins, and machine-in-the-middle attacks. 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.

Johnson, Jay↗
DOE OSTI2020

Summary of Expansions and Updates in GREET® 2020

The GREET® (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model has been developed by Argonne National Laboratory with the support of the U.S. Department of Energy (DOE). GREET is a life-cycle analysis (LCA) tool, structured to systematically examine the energy and environmental effects of a wide variety of transportation fuels and vehicle technologies in major transportation sectors (i.e., road, air, marine, and rail) and other end-use sectors, and energy systems. Argonne has expanded and updated the model in various sectors in GREET 2020, and this report provides a summary of the release.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Total Measurement Uncertainty in Neutron Coincidence Multiplicity Analysis

Neutron multiplicity counting is the most commonly used nondestructive assay technique for determining the plutonium mass within containers of scrap PuO 2 or mixed oxide (MOX). In multiplicity analysis, the 240 Pu eff mass, leakage multiplication, and alpha ratio (the ratio of [α, n]-to-spontaneous fission neutron production) are the three primary unknown sample properties. They must be determined simultaneously. To solve for these three unknowns in a multiplicity assay, three measured values are needed: the singles, doubles, and triples neutron count rates. While the analysis is limited to solving for three unknowns, there are many additional factors that impact the observed count rates and contribute to the measurement uncertainty. In this study we investigate the various uncertainty contributors for the multiplicity analysis through a combination of traditional uncertainty propagation techniques supplemented by Monte Carlo simulations to address the dependences not explicitly expressed by the point source model. Uncertainties arising from counting statistics, calibration parameters, calibration method, nuclear data, and various material characteristics (isotopic abundances, chemical form, density, and impurities) are considered. A Total Measurement Uncertainty (TMU) estimate is then developed from these uncertainty contributors. This study is confined to multiplicity analysis of items commonly encountered in international safeguards applications. That is, the study focused on Pu oxides and MOX materials for the masses ranging up to 4000 grams total Pu. Multiplicity measurements were simulated using MCNP V6 based on the Plutonium Scrap Multiplicity Counter (PSMC), Epithermal Multiplicity Counter (ENMC), Pyrochemical Multiplicity Counter, and Large Epithermal Multiplicity Counter (LEMC) for this study; however, this report focuses on the parameterization of the uncertainties for the PSMC. The performance differences between the PSMC and the other multiplicity counting systems are relatively small, primarily manifesting in the impact on measurement precision so that the evaluation developed for the PSMC can be applied to the other multiplicity counting systems. Finally an analysis tool, the Multiplicity TMU Estimator, was developed from this study to serve as an aid for evaluation of the total measurement uncertainty of multiplicity assay results obtained from the commonly used INCC acquisition and analysis software.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Summary of Expansions and Updates in GREET ® 2022

The GREET ® (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model has been developed by Argonne National Laboratory (Argonne) with the support of the U.S. Department of Energy (DOE) and other federal agencies. GREET is a life cycle analysis (LCA) tool, structured to systematically examine the energy and environmental effects of a wide variety of transportation fuels and vehicle technologies in major transportation sectors (i.e., road, air, marine, and rail) and other end-use sectors, and energy systems. Argonne has expanded and updated the model in various sectors in GREET 2022, and this report provides a summary of the release.

25 ENERGY STORAGE↗
DOE OSTI2022

Renewable Schiff-Base Ionic Liquids for Lignocellulosic Biomass Pretreatment

Growing interest in sustainable sources of chemicals and energy from renewable and reliable sources has stimulated the design and synthesis of renewable Schiff-base (iminium) ionic liquids (ILs) to replace fossil-derived ILs. In this study, we report on the synthesis of three unique iminium-acetate ILs from lignin-derived aldehyde for a sustainable “future” lignocellulosic biorefinery. The synthesized ILs contained only imines or imines along with amines in their structure; the ILs with only imines group exhibited better pretreatment efficacy, achieving >89% sugar release. Various analytical and computational tools were employed to understand the pretreatment efficacy of these ILs. This is the first study to demonstrate the ease of synthesis of these renewable ILs, and therefore, opens the door for a new class of “Schiff-base ILs” for further investigation that could also be designed to be task specific.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Advanced Physics Models for Particle-Particle Interactions (UCD final report)

The LDRD "Advanced Physics Models for Particle-Particle Interactions” collaborative research with Professor Jennifer Sinclair Curtis and PhD student Chanh Nguyen at the University of California, Davis involved meso-scale, discrete element method (DEM) modeling of micron-sized particles impacting a substrate. Using DEM, physical insight into the details of particle response upon impact can be obtained. Such details provide the type of information necessary to enhance existing continuum or macro-scale simulation tools so that modeling for material strength and particle breakage models is based on particle physics versus empirical relationships. While molecular dynamics simulations of atoms can also provide physical insight into the particle response to impact, the scale of particles that are treated is on the order of angstroms, not microns. This study gives evidence to the ability of the DEM simulation technique to provide such fundamental, detailed insight for micron-sized particles as a function of particle properties and impact velocity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Investigating Hydrogen Isotope Exchange Reactions on Lithium Aluminate Pellets in TPBAR (FY22 Report)

We developed a novel operando Raman spectroscopy method for investigation of hydrogen (H) isotope exchange reactions in the lithium aluminate (γ-LiAlO 2 ) that allows modeling of tritium behaviors in high temperature and in an irradiated environment. The lithium aluminate pellet is a main component in the Tritium-Producing Burnable Absorber Rod (TPBAR). We used deuterium ( 2 H or D) as a surrogate to simulate tritium ( 3 H or T). We used a surface analysis tools in situ/operando Raman spectroscopy to observe the transformation OH and OD compositional changes. We also used ToF-SIMS to analyze the lithium aluminate pellet control sample to build the base line for future in situ/operando analysis. To conduct operando Raman spectroscopy, we developed a custom reaction cell with a detachable micro heater using microelectromechanical systems (MEMS) and 3D printing techniques. Multiple versions were developed and tested. Using the new reaction cell, we demonstrated operando Raman spectroscopy of water (H 2 O) and deuterated water (D 2 O) with nitrogen (N 2 ) exposure onto the lithium aluminate (LiAlO2) pellet specimen, respectively, using a wet gas injection setup. We also successfully developed a detachable microheater that can heat up to ~250°C for ~90 mins. The Raman spectra did not show clear H 2 O and D 2 O characteristic peaks, which indicates that introducing H 2 O and D 2 O onto the surface of the pellet is challenging due to its dense structure nature. Our efforts suggest that various improvements are needed, such as increasing reaction cell operating gas pressure and thinning pellet sample thickness, to obtain meaningful measurements.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Imaging Enhanced Simulation Validation for Directed Energy Deposition Additive Manufacturing (Final CRADA Report – NFE-22-09107)

Directed Energy Deposition (DED) is a welding-based metal Additive Manufacturing (AM) process that relies on the programmed rastering of an electric arc or laser induced weld pool to construct a component in a layerwise fashion. The induced complex thermal field and uneven thermal contraction depends on the printed geometry and scan pattern, and as such, accumulated residual stresses and distortions are complex and difficult to predict. Several prior works have resulted in tools to combat this issue; ANSYS has developed a thermoplastic simulation package targeting DED AM, and ORNL has developed an in-situ imaging sensor package ‘Stereo Correlated Optical and Pyrometric System’ (SCOPS) that can spatially monitor temperature and full field strain. In this CRADA, these tools are compared in order to validate the results and complimentarily address the weaknesses in each other.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hybridization capture sequencing for Vibrio spp. and associated virulence factors

ABSTRACT Proliferation ofVibriospp. in aquatic ecosystems is associated with climate change and, concomitantly, increased incidence of vibriosis. They are autochthonous to aquatic environments globally, but traditional metagenomic methods for detecting and typing pathogenicVibriospp. are challenged by their presence in relatively low abundance and ability to persist in a viable but nonculturable state. In the study reported here, hybridization capture sequencing (HCS) was employed to profile low-abundanceVibriospp. in environmental samples. The HCS panel targeted a family of molecular chaperones (CPN60) specific to 69Vibriospp. and 162Vibrio-specific virulence factors. This approach was evaluated in parallel with traditional whole-community shotgun sequencing in a metagenomic analysis of water and oyster samples collected from the Chesapeake Bay. In addition,Vibrio parahaemolyticusandVibrio vulnificusstrains isolated from the samples were subjected to whole-genome sequencing to determine the genetic characteristics of pathogenicVibriospp. circulating in an aquatic environment. HCS, employed to determine the incidence and characterization of specificVibriospp., yielded significantly greater metagenomic insight, notably a variety of otherVibriospp., including detection ofVibrio cholerae,Vibrio fluvialis, andVibrio aestuarianus, in addition toVibrio parahaemolyticusandVibrio vulnificus, and also important virulence factors not detectable using traditional molecular methods. Thus, pathogenicVibriospp. in aquatic ecosystems may be far more common than currently understood. It is concluded that environmental surveillance should include HCS, a valuable tool for the detection and characterization of pathogenic agents in aquatic ecosystems, notably vibrios. IMPORTANCE The increasing prevalence of pathogenicVibriospp. in aquatic ecosystems, driven by climate change, is closely linked to a rise in cholera and vibriosis cases, emphasizing the need for improved environmental surveillance. Vibrios are naturally occurring in aquatic environments globally, but traditional metagenomic methods for detecting and typing pathogenicVibriospp. are challenged by their presence in relatively low abundance and ability to persist in a viable but nonculturable state. In the study reported here, hybridization capture sequencing was employed to profile low-abundanceVibriospp. in metagenomic samples, namely water and oysters collected from the Chesapeake Bay. This approach was evaluated in parallel with traditional whole-community shotgun sequencing and whole-genome sequencing ofVibrio parahaemolyticusandVibrio vulnificusstrains isolated from the samples. Results suggest pathogenicVibriospp. in aquatic ecosystems may be far more common than currently understood, when multiple methods are considered for environmental surveillance.

Microbiology↗
DOE OSTI2025

Domain Shift Analysis in Chest Radiographs Classification in a Veterans Healthcare Administration Population

This study aims to assess the impact of domain shift on chest X-ray classification accuracy and to analyze the influence of ground truth label quality and demographic factors such as age group, sex, and study year. We used a DenseNet121 model pre-trained MIMIC-CXR dataset for deep learning-based multi-label classification using ground truth labels from radiology reports extracted using the CheXpert and CheXbert Labeler. We compared the performance of the 14 chest X-ray labels on the MIMIC-CXR and Veterans Healthcare Administration chest X-ray dataset (VA-CXR). The validation of ground truth and the assessment of multi-label classification performance across various NLP extraction tools revealed that the VA-CXR dataset exhibited lower disagreement rates than the MIMIC-CXR datasets. Additionally, there were notable differences in AUC scores between models utilizing CheXpert and CheXbert. When evaluating multi-label classification performance across different datasets, minimal domain shift was observed in the unseen VA dataset, except for the label “Enlarged Cardiomediastinum.” The subgroup with the most significant variations in multi-label classification performance was study year. These findings underscore the importance of considering domain shift in chest X-ray classification tasks, paying particular attention to the temporality of the exam. Our study reveals the significant impact of domain shift and demographic factors on chest X-ray classification, emphasizing the need for improved transfer learning and robust model development. Addressing these challenges is crucial for advancing medical imaging research and improving patient care.

chest X-ray image classification↗
DOE OSTI2021

Bispectral analysis of broadband turbulence and geodesic acoustic modes in the T-10 tokamak

Local fluctuations of electrostatic potential, poloidal electric field, magnetic potential and electron density are simultaneously measured in the T-10 tokamak by a heavy ion beam probe (HIBP) having a five-slit energy analyser, which allows an estimate of the turbulent particle flux and $\boldsymbol {E}\times \boldsymbol {B}$ rotation velocity in the off-minor-axis gradient zone of the toroidal plasma column. The high spatial and temporal resolution of the modern multichannel HIBP makes it an effective tool to study plasma oscillations. Motivated by previous work that has documented time-resolved interactions between measured plasma parameters using correlation analysis (coherence of $E_{\textrm {pol}}$ and density $n_e$ , and cross-phase), a new result from bicorrelation analysis (bicoherence of magnetic potential $A_\zeta$ and density $n_e$ , and biphase) is reported for documenting the evidence of wave–wave coupling and energy transfer associated with the interaction between geodesic acoustic modes (GAM) and broadband, quasi-coherent modes.

Physics↗
DOE OSTI2023

pmartR 2.0 : A Quality Control, Visualization, and Statistics Pipeline for Multiple Omics Datatypes

The pmartR (https://github.com/pmartR/pmartR) package was designed for the quality control (QC) and analysis of mass spectrometry (MS) data, tailored to specific characteristics of proteomic (isobaric or labelled), metabolomic, and lipidomic datasets. Since its initial release, the tool has been expanded to address the needs of its growing userbase and now includes QC and statistics for nuclear magnetic resonance (NMR) metabolomic data, and leverages the DESeq2, edgeR, and limma-voom R packages for some transcriptomic data analyses. These improvements have made progress towards a unified omics processing pipeline for ease of reporting and streamlined statistical purposes. The package’s statistics and visualization capabilities have also been expanded by adding support for paired data and by integrating pmartR with the trelliscopejs R package for the quick creation of trellis displays (https://github.com/hafen/trelliscopejs). Here, we present relevant examples of each of these enhancements to pmartR and highlight how each new feature benefits the omics community.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Microscopic Manipulation of Ferroelectric Domains in SnSe Monolayers at Room Temperature

Two-dimensional (2D) van der Waals ferroelectrics provide an unprecedented architectural freedom for the creation of artificial multiferroics and nonvolatile electronic devices based on vertical and coplanar heterojunctions of 2D ferroic materials. Nevertheless, controlled microscopic manipulation of ferroelectric domains is still rare in monolayer-thick 2D ferroelectrics with in-plane polarization. Here we report the discovery of robust ferroelectricity with a critical temperature close to 400 K in SnSe monolayer plates grown on graphene and the demonstration of controlled room-temperature ferroelectric domain manipulation by applying appropriate bias voltage pulses to the tip of a scanning tunneling microscope (STM). This study shows that STM is a powerful tool for detecting and manipulating the microscopic domain structures in 2D ferroelectric monolayers, which are difficult for conventional approaches such as piezoresponse force microscopy, thus facilitating the hunt for other 2D ferroelectric monolayers with in-plane polarization with important technological applications.

2D ferroelectric↗
DOE OSTI2020

Kinetic Isotope Effects: Interpretation and Prediction Using Degrees of Rate Control

Kinetic isotope effects (KIEs) have been used for decades in catalysis research as a tool for clarifying reaction mechanisms. Significant primary kinetic isotope effects have usually been interpreted as being a result of isotope substitution at a site of bond breaking (or forming) in the rate-determining step in the reaction mechanism. However, quantitative analysis of the magnitude of the KIE in complex multistep reaction mechanisms is seldom reported. We prove here that the logarithm of the rate ratio for two isotopes is the weighted average over all species in the mechanism of their standard-state free energy difference between the two isotopes, divided by RT. The weighting factor is the degree of rate control (DRC) for that species (e.g., transition state, intermediate, reactant) when the rate is measured separately for each isotope. It is instead the degree of selectivity ratio control (DSRC) when the KIE is measured as the product selectivity in a parallel competition between two isotopes within the same reactant molecule. Since only a few species have non-zero DRCs (or DSRCs) for most reactions, only these few contribute to this weighted average and the KIE. We show that this provides a simple way to interpret and quantitatively predict kinetic isotope effects that is powerful in the insights it provides, allowing one to evaluate directly which species contribute most to the KIE. By applying it to H/D KIEs in several example mechanisms, we further show that the traditional way of interpreting KIEs that focuses only on the rate-determining step can easily lead to misunderstanding of KIE and the reaction mechanism. Finally, this highlights the importance to consider the effect of isotope substitution on the energies of all species with large DRCs (i.e, those whose energies are kinetically relevant). This method also offers opportunities for quantitative validation of mechanism-based microkinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Engineering ligand reactivity enables high-temperature operation of stable perovskite solar cells

Perovskite solar cells (PSCs) consisting of interfacial two- and three-dimensional heterostructures that incorporate ammonium ligand intercalation have enabled rapid progress toward the goal of uniting performance with stability. However, as the field continues to seek ever-higher durability, additional tools that avoid progressive ligand intercalation are needed to minimize degradation at high temperatures. We used ammonium ligands that are nonreactive with the bulk of perovskites and investigated a library that varies ligand molecular structure systematically. Here, we found that fluorinated aniliniums offer interfacial passivation and simultaneously minimize reactivity with perovskites. Using this approach, we report a certified quasi–steady-state power-conversion efficiency of 24.09% for inverted-structure PSCs. In an encapsulated device operating at 85°C and 50% relative humidity, we document a 1560-hour T85 at maximum power point under 1-sun illumination.

14 SOLAR ENERGY↗
DOE OSTI2020

Total Cost of Vehicle Ownership - Development of Analysis Webtool and Visualization

This report has been created to give an in-depth walkthrough of the functionality of the Total Cost of Operation webtool. The webtool was created to give users the ability to calculate the total cost of owning a vehicle over from the year they bought the vehicle to the end of the vehicles lifetime. This tool was developed using a combination of front-end and back-end technologies. To create the front-end HTML, CSS, and JavaScript were utilized. On the backend PHP is used as a scripting language with a database powered by MySQL. Through a combination of these technologies, a fully featured well developed webtool was created allowing users to view a cost breakdown of vehicle ownership over the lifetime of that vehicle.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗