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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 OSTI2024

First Measurement of Drift-Alfvén Wave Polarization in Magnetically Confined Fusion Plasmas

Polarization of drift-Alfvén waves, defined as the ratio of electrostatic to electromagnetic fluctuations, has remained unmeasurable in fusion plasmas for decades, despite its pivotal role in understanding wave dynamics and their impact on plasmas. We report the first measurements of drift-Alfvén wave polarization in a hot, magnetically-confined plasma. Here, the breakthrough is enabled by a novel methodology developed from gyrokinetic theory, utilizing fluctuations of electron temperature and density. Analysis of data from the DIII-D tokamak reveals that the waves above the geodesic acoustic mode frequency exhibit dominant electromagnetic polarization, whereas lower frequency waves show a mix of electromagnetic and electrostatic polarization, indicating a strong coupling between shear Alfvén waves and drift-acoustic waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

CERES : a cryo-EM re-refinement system for continuous improvement of deposited models

The field of electron cryomicroscopy (cryo-EM) has advanced quickly in recent years as the result of numerous technological and methodological developments. This has led to an increase in the number of atomic structures determined using this method. Recently, several tools for the analysis of cryo-EM data and models have been developed within the Phenix software package, such as phenix.real_space_refine for the refinement of atomic models against real-space maps. Also, new validation metrics have been developed for low-resolution cryo-EM models. To understand the quality of deposited cryo-EM structures and how they might be improved, models deposited in the Protein Data Bank that have map resolutions of better than 5 Å were automatically re-refined using current versions of Phenix tools. The results are available on a publicly accessible web page (https://cci.lbl.gov/ceres). The implementation of a Cryo-EM Re-refinement System ( CERES ) for the improvement of models deposited in the wwPDB, and the results of the re-refinements, are described. Based on these results, contents are proposed for a `cryo-EM Table 1', which summarizes experimental details and validation metrics in a similar way to `Table 1' in crystallography. The consistent use of robust metrics for the evaluation of cryo-EM models and data should accompany every structure deposition and be reported in scientific publications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Transactional Knowledge Graph Generation To Model Adversarial Activities

A Knowledge Graph (KG) is a formal and structured representation of facts, relationships, and semantic descriptions of a set of entities. Traditionally, KGs are used to describe metadata about entities and to provide additional context to target application results. Many real-world domains also involve temporal interactions between entities in addition to the metadata data. Modeling these attributed transactions is a critical requirement when using KGs in complex real-world applications. Modeling adversarial activities is one such application that develops methodology and tools to produce realistic large-scale background activity graphs that include embedded Weapons of Mass Destruction (WMD) activity patterns. We present a novel platform for constructing a transactional knowledge graph from a diverse set of sources. We present the core components and architecture of the framework, and a use case for generating a background knowledge graph and WMD activity template to evaluate network alignment and subgraph matching algorithms.

Purohit, Sumit↗
DOE OSTI2022

Towards Automatic Mapping of Vulnerabilities to Attack Patterns using Large Language Models

With the advent of new devices and applications, cyber attack surface is continuously evolving due to the emergence of new attack techniques and vulnerabilities. Hence, security management tool must assess the cyber risk of an enterprise at regular interval basis through comprehensively identifying associations among attack techniques, weakness, and vulnerabilities. However, existing repositories providing such associations are incomplete (i.e., missing associations), inducing the likelihood of undermining the risk of particular set of attack techniques. Moreover, such associations still rely on manual interpretation, which is slow compared to attack speed and ineffective for the increasing list of vulnerabilities and attack actions. Therefore, there is an urge to develop methodologies for automatically associating vulnerabilities to all relevant attack techniques. In this paper, we present a framework, named VWC-MAP, that can automatically identify all relevant attack techniques of a vulnerability via weakness based on their text descriptions, applying natural language process (NLP) techniques. To achieve that, we present a novel two-tiered classification approach, where the first tier classifies vulnerabilities to weakness, and the second tier classifies weakness to attack techniques. This research has improved the scalability of the current state-of-the-art tool to make vulnerability to weakness mapping significantly faster. Moreover, this paper presents two novel approaches for weakness to attack technique mapping applying Text-to-Text and link prediction techniques. Our experiment results cross-validated through cyber-security experts show that VWC-MAP can associate vulnerabilities to weakness types with 87% accuracy and to new attack patterns with 80% accuracy.

Das, Siddhartha Shankar↗
DOE OSTI2023

Visualizing Comparisons of Bill of Materials

Protecting critical infrastructure from cyber attacks, natural disasters, and other disruptions is a priority of the U.S. Government. Critical infrastructure includes providing electricity to homes and businesses, supplying natural gas for heating, and producing renewable energy sources. A loss of these services, as seen in the Solarwinds supply chain attack in 2020 , Texas snowstorm of 2021, the Colonial Pipeline cyber incident of 2021, and the Washington power substation attacks in 2022 result in high costs to consumers, disruption of everyday life, and even death. To protect the infrastructure, we first have to know what equipment we are protecting. The complexity of distributed manufacturing and development coupled with the increasing prevalence of cyber and supply chain attacks necessitates a greater understanding of the hardware and software components that comprise equipment in critical infrastructure. When a vulnerability in a single software library can have disastrous consequences, it is vital to understand critical equipment and systems at a granular level. This need has led to increased energy around the development and incorporation of bill-of-materials (BOM) into existing asset management practices to aid in mitigating, and responding to future attacks \cite{noauthor_software_nodate}. While much of the current research is devoted to creating BOMs, it is equally important to develop methodologies for leveraging BOMs to answer questions, such as: How has my software changed? Are two pieces of equipment equivalent? Does this piece of equipment that just arrived match my historical information? In this work, we demonstrate how BOMs can be represented by graph structures. We then describe how these structures can be fed into a graph comparison algorithm to produce a novel interactive visualization that allows us to not only identify differences in BOMs, but show exactly where they are in the product.

Jones, Rebecca D.↗
DOE OSTI2023

Thermomechanical Stress and Creep-Fatigue Analysis of a High-Temperature Prototype Receiver for Heating Particles

This work presents a three-dimensional (3D) thermomechanical model of a prototype-scale enclosed light trapping solar receiver for heating particles. Results of the thermoelastic model are used to estimate receiver lifetime under maximum flux conditions. A computational fluid dynamics (CFD) model is first developed to predict the temperature fields in a multi-panel assembly under steady operating conditions. Solar flux distributions on the receiver are obtained from the software package SolTrace and applied to the 3D thermal model. The subsequent particle heating is captured through a simplified 1D energy balance. Panel reradiation is considered through a surface-to-surface radiation model and natural convection loss to the surrounding air is captured in a representative fluid domain surrounding the receiver. The resulting temperature fields from the CFD analysis are used as inputs for a thermoelastic mechanical model with representative boundary conditions. With the resultant temperature and stress fields, a creep-fatigue damage and lifetime analysis is performed using the linear damage accumulation (LDA) theory. The Manson-Coffin formula and Larson Miller correlation are used to calculate the fatigue and creep, respectively. A maximum damage (corresponding to a 30-year service life) is defined for design assessment. The model was first developed and verified in detail by comparing with published results in the literature (temperature and stress profiles and distributions, and creep/fatigue damage fractions) for tubular solar receivers with supercritical carbon dioxide as the working fluid. It was then implemented to model a planar-cavity receiver with various design parameters. Specifically, three different design geometries are considered, and the results show that a maximum temperature of approximately 1200 K could be reached for each design with the given incident solar flux, with the main difference being the distribution of these temperatures. Preliminary resulting stresses for the small-scale prototype without design optimization vary from 20 MPa to 250 MPa for each design, with the maximum stresses occurring on the front face and concave geometry on the side of the panel. In future work, the developed methodology shown here will be applied to analyze a full-scale (50-150 MWth) receiver.

concentrated solar power↗
DOE OSTI2020

Modified atomic layer deposition of MoS 2 thin films

As one of the most attractive transition metal dichalcogenides (TMDs), the growth of molybdenum disulfide (MoS 2 ) with industrial compatibility is of great importance. Atomic layer deposition (ALD) has been shown to be a promising method to achieve the growth of high-quality TMD materials. However, MoS 2 films deposited by ALD often are amorphous with nonideal stoichiometry and require high-temperature post-deposition annealing. Here, we introduce a modified ALD recipe using Mo(CO) 6 and H 2 S, resulting in controllable linear growth behavior, a S-to-Mo ratio of 2:1, and crystalline films at a temperature as low as 190 °C. The growth mechanisms and key factors leading to this improvement are proposed and complemented by kinetics calculations. This newly developed methodology relies on aligning the process time with the reaction kinetics of carbonyl disassociation. The MoS 2 films prepared herein were shown to be active hydrogen evolution reaction catalysts.

2D materials↗
DOE OSTI2024

Modeling Framework for the Assessment of a Sustainable Hydrogen Production and Supply Chain Network in California

The cost-effective and sustainable deployment of hydrogen supply and demand networks, especially in large economic regions like California, can be challenging considering the spatial-temporal availability and variability of the different actors across the network such as production processes, distribution modes, and end-users. In this presentation, we will provide an overview and demonstration of a modeling framework used to assess the environmental, economic, and human health impacts of plausible hydrogen production and supply chain networks in California. Scenarios focus on green hydrogen production pathways using water electrolysis and biomass gasification. End-use applications included in the model are transit, medium and heavy-duty trucking, port authorities, and power and aviation companies that currently consume natural gas, diesel, and aviation fuel for their day-to-day operation. Representative locations for hydrogen production and end-use are based on recent projections of the hydrogen economy in California. All mass and energy flows, as well as estimated emissions, are based on H2A process model designs and projections of technology performance, literature review, and LBNL process, economic and life cycle modeling, and not on company data for the sake of this presentation. Human health impacts are included following methodologies developed for the University of California Irvine HyDeal project. Life cycle phases associated with hydrogen production include feedstock preparation (water and biomass), energy production and consumption (renewable, grid, and combination of renewable and grid electricity), maintenance (chemical utilization in electrolysis and natural gas combustion in gasification), carbon sequestration, hydrogen storage (compression and liquefaction), and distribution (truck and pipeline). We apply the framework utilizing California specific emission factors, financial data, and human health damages and explore the impact of network characteristics on results. Example variations include: the inclusion of policy incentives or not, different representations of the electricity grid and source, electrolysis versus gasification versus combinations of both for production, liquefaction versus compression based on producer capacity cutoffs, transportation truck versus pipeline based on existing infrastructure, and ultimate end use. Comparison of these different scenarios can help inform future projects by demonstrating the trade-offs among environmental, economic, and human health impacts. This model, automated in R, is a starting platform upon which new analysis, modeling capabilities, locations, and emission factors can be rapidly tested and integrated.

Zaki, Mohammed Tamim↗
DOE OSTI2020

Generation and evaluation of synthetic patient data

Background: Machine learning (ML) has made a significant impact in medicine and cancer research; however, its impact in these areas has been undeniably slower and more limited than in other application domains. A major reason for this has been the lack of availability of patient data to the broader ML research community, in large part due to patient privacy protection concerns. High-quality, realistic, synthetic datasets can be leveraged to accelerate methodological developments in medicine. By and large, medical data is high dimensional and often categorical. These characteristics pose multiple modeling challenges. Methods: In this paper, we evaluate three classes of synthetic data generation approaches; probabilistic models, classification-based imputation models, and generative adversarial neural networks. Metrics for evaluating the quality of the generated synthetic datasets are presented and discussed. Results: While the results and discussions are broadly applicable to medical data, for demonstration purposes we generate synthetic datasets for cancer based on the publicly available cancer registry data from the Surveillance Epidemiology and End Results (SEER) program. Specifically, our cohort consists of breast, respiratory, and non-solid cancer cases diagnosed between 2010 and 2015, which includes over 360,000 individual cases. Conclusions: We discuss the trade-offs of the different methods and metrics, providing guidance on considerations for the generation and usage of medical synthetic data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Shallow EGS Regional Resource Potential and Map - Snake River Plain

SMU Geothermal Lab developed a methodology to estimate shallow (1 km to 4 km) Enhanced Geothermal Systems (EGS) resource potential using an approach that utilizes recent geology and geophysical research along with new well data to improve the thermal conductivity model, mitigate impacts from groundwater flow in the thermal model, and examine radioactivity data variations. By incorporating the results of the most recent projects with the SMU shallow methodology, we developed a more accurate, updated resource estimate for the Snake River Plain (SRP). The resulting maps and resource estimates can be used by the National Renewable Energy Lab (NREL), Bureau of Land Management (BLM), and the public to determine how best to move forward with future project development.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Exploring Uncertainty in Moment Estimation for Small Earthquakes in Southern Nevada Using the Coda Envelope Method

Compiling source parameter estimates for small earthquakes is important both for our understanding of earthquake physics and for accurately assessing earthquake hazard. Reliable source parameter estimates are difficult to achieve for small earthquakes, in part due to our inability to accurately model the relevant physical processes at high frequencies. The coda envelope methodology developed by Mayeda and Walter (1996) and Mayeda et al. (2003) can mitigate this concern and estimate the moment of small earthquakes by determining the parameters that control the shape of the S-wave coda envelope while eliminating path effects by minimizing the scatter between seismic stations. Here, we use an open-source implementation of this technique called the Coda Calibration Tool (CCT; Barno, 2017) to calculate CCT-based moment magnitude estimates of small earthquakes (M L 0–3) in the Rock Valley, Nevada, region within the Nevada National Security Site. The Rock Valley data set is of particular interest because it allows us to explore the changes in uncertainties of the coda calibration method with earthquake size and depth. We found that a consistent linear relationship exists between the local magnitude M L and our coda-derived M w estimates for earthquakes as small as M L 0–3, but that current CCT workflows do not accurately characterize very shallow events. We also demonstrate that the epistemic uncertainty in the apparent stress value assumed by the CCT algorithm can influence magnitude estimates of small earthquakes. In conclusion, these results provide valuable insight into the seismicity of this region, and inform future analysis and modeling efforts for nuclear monitoring and seismic hazard.

58 GEOSCIENCES↗
DOE OSTI2020

Micropulse Lidar Cloud Mask (MPLCMASK) Value-Added Product for the Fast-Switching Polarized Micropulse Lidar Technical Report

Lidar backscattered signal is a useful tool for identifying vertical cloud structure in the atmosphere in optically thin clouds. Cloud boundaries derived from lidar signals are a necessary input for popular ARM data products, such as the Active Remote Sensing of Clouds (ARSCL) product. An operational cloud boundary algorithm (Wang and Sassen 2001) has been implemented for use with the ARM Micropulse Lidar (MPL) systems. In addition to retrieving cloud boundaries above 500 m, the value-added product (VAP) named Micropulse Lidar Cloud Mask (MPLCMASK) applies lidar-specific corrections (i.e., range-square, background, deadtime, and overlap) as described in Campbell et al. (2002) to the measured backscattered lidar. Depolarization ratio is computed using the methodology developed by Flynn et al. (2007) for polarization-capable MPL systems. The cloud boundaries output from MPLCMASK will be the primary lidar cloud mask for input to the ARSCL product and will be applied to all MPL systems, including historical data sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Performance Assessment for the Disposal of Low Level Waste in the 200 East Area Burial Grounds (FY2019 Annual Status Report)

This annual review provides the projected dose estimates of radionuclide inventories disposed in the 200 East Area Low-Level Waste Burial Grounds (LLBGs) since September 26, 1988. These estimates are calculated using the original dose methodology developed in the performance assessment (PA) analysis (WHC-SD-WM-TI-730) and are compared with U.S. Department of Energy requirements (DOE O 435.1 and performance objectives defined in companion documents DOE M 435.1 and DOE-STD-5002-2017). All performance objectives are currently satisfied, and operational waste acceptance criteria (HNF-EP-0063) and waste acceptance practices continue to be sufficient to maintain compliance with performance objectives. Inventory estimates and associated dose estimates from future waste disposal actions are unchanged from previous years’ evaluations, indicating that potential impacts are well below performance objectives; therefore, future compliance with DOE O 435.1 is expected. A new PA study has been initiated in this fiscal year (FY) 2019 for evaluation of active disposal sites within the 200 West and East Areas (Trenches 31 and 34 in 200 West; Trench 94 in 200 East) because extended time has elapsed between the current annual status report and the original PA (WHC-SD-WM-TI-370) for the active disposal sites. The new PA for the active disposal sites is expected to be completed in FY 2021.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Performance Assessment for the Disposal of Low Level Waste in the 200 West Area Burial Grounds (FY2019 Annual Statius Report)

This annual review provides the projected dose estimates of radionuclide inventories disposed in the active 200 West Area Low-Level Waste Burial Grounds (LLBGs) since September 26, 1988. These estimates are calculated using the original dose methodology developed in the performance assessment (PA) analysis (WHC-EP-0645) and are compared with performance objectives defined in U.S. Department of Energy requirements (DOE O 435.1 and its companion documents DOE M 435.1-1 and DOE-STD-5002-2017). All performance objectives are currently satisfied, and operational waste acceptance criteria (HNF-EP-0063) and waste acceptance practices continue to be sufficient to maintain compliance with performance objectives. Inventory estimates and associated dose estimates from future waste disposal actions are unchanged from previous years’ evaluations, indicating that potential impacts are well below performance objectives; therefore, future compliance with DOE O 435.1 is expected.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Dynamics of Product Branching from Radical Intermediates in Elementary Combustion Reactions (Final Technical Report)

While the total rate constant for many elementary reactions is well-characterized, understanding the product branching in complex reactions presents a formidable challenge. To gain an incisive probe of such reactions, our experiments investigate the dynamics of the product channels that arise from transient radical intermediates along the bimolecular reaction coordinates. Our recent published work uses the methodology developed in my group in the last fifteen years, using both imaging and scattering apparatuses. The experiments generate a particular isomeric form of an unstable radical intermediate along a bimolecular reaction coordinate and study the branching between the ensuing product channels of the energized radical as a function of its internal rotational and vibrational energy under collision-less conditions. The experiments use a combination of: 1) measurement of product velocity and angular distributions in a crossed laser-molecular beam apparatus, with electron bombardment detection in my lab in Chicago or 2) with tunable vacuum ultraviolet photoionization detection at Taiwan's National Synchrotron Radiation Research Center (NSRRC), and 3) velocity map imaging using state-selective REMPI and single photon VUV ionization of radical intermediates and reaction products. We also employ tunable VUV photoionization detection in our imaging apparatus, using difference frequency four-wave mixing to produce photoionization light tunable from 8 to 10.8 eV. This year of support funded our work to photolytically generate the radical intermediate important in the OH + propene reaction when OH adds to an end carbon. Our other major result this past year was on the photoionization detection of vinoxy radicals. Our experiments at the NSRRC definitively show that vinoxy dissociatively ionizes to both CH 3 + and HCO + , and establishes the absolute partial photoionization cross section of vinoxy to CH 3 + at 10.5 and 11.44 eV. This should allow experimentalists detecting vinoxy radicals produced in bimolecular reactions such as OH + propene to get good branching fractions to that product channel. Finally we initiated studies of the photodissociation of 1-bromo-2-chloroethane and 1,1-bromochloroethane at 193 nm at the NSRRC.

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

Residential Building Energy Efficiency Field Studies: Low-Rise Multifamily

In recent years, the U.S. Department of Energy (DOE) has conducted a series of research studies to validate energy efficient building technologies in the field. Much of the work has focused on single-family construction, and some has also addressed commercial energy codes. The work detailed in this DOE-funded study (EE0007616) focuses on low-rise multifamily buildings (three stories or fewer above grade) in various regions of the United States, and reports on how state-level building codes are being implemented, both in terms of observed characteristics and also in terms of estimated energy impacts. Nearly 100 buildings across four states—Illinois, Minnesota, Oregon, and Washington—were sampled, which represent a range of climate types from mild temperature to very cold continental. Both common entry and outdoor entry buildings were included, and a parallel research project evaluated envelope air tightness and current still-evolving air tightness testing methods. Finally, a set of structured interviews of building designers and other relevant professionals was carried to out to gain more insight into this market. To the greatest extent possible, the methodology developed under the project for low-rise multifamily buildings mirrored the approach established by Pacific Northwest National Laboratory (PNNL) for single-family residential buildings (https://www.energy.gov/eere/buildings/downloads/residential-building-energy-code-field-study). This included the general approach to sampling, recruitment, and data collection, as well as data analysis and presentation. The range of permitting dates for the sites encompassed two energy code cycles in most regions. All states in the study had adopted a variation of the International Energy Conservation Code (IECC) for the structure of their state code. The low-rise multifamily occupancy presents a hybrid building type: most of the building’s conditioned floor area was covered by the residential chapter of the code while portions of the building (such as corridors and common spaces) fell under the commercial code chapter. The key items assessed in this work were: Building Shell—exterior wall insulation, ceiling insulation, foundation insulation, windows. Common Areas—HVAC and lighting. Living Units—lighting, ventilation. A few items were not assessed in detail, given their relative paucity in this occupancy type; these included duct leakage, pipe insulation, and hot water circulation controls. Building characteristics were collected via a combination of architectural, mechanical, electrical, and plumbing plan reviews and field inspections, and entered into a spreadsheet-based tool that was later queried to build a database. Data went through quality control both upon arrival and via a later semi-automated review and assurance process. Most of the data are presented graphically so that the reader can quickly assess compliance with the applicable energy codes (both by state and by code year). As a final step, EnergyPlus™ simulations were created for all buildings in the study to estimate both the as-found energy use intensity (EUI) and the energy and CO 2 that could be saved if features that were found to not meet code minimums were brought up to code. The savings estimates were tabulated for each of the four states in the study. The research team found that the single-family approach was largely applicable to low-rise multifamily buildings. This applies to both the data collection and the prototype EUI analysis. Most of the occupied space is living units and falls under residential energy codes, and many characteristics use similar envelope construction and relatively straightforward mechanical systems and lighting. One of the most challenging aspects of this work was to build an effective spreadsheet-based data collection instrument that could allow efficient collection of both building plan and field data. The research team is of the view that other methods could be equally effective if the work is done carefully with diligent quality control. The primary findings for the work center around the thermal envelope and mechanical systems and lighting at the sites: For thermal envelope components, the majority of buildings met or were better than the prescriptive code.This suggests that building designers and builders are aware of code requirements. In some cases, surveyed buildings were designed to qualify for energy efficiency certification programs. These buildings made up at least 20% of sampled buildings in each state. Almost all buildings met mechanical system efficiency requirements (for both living units and common areas). In some cases, sites employed systems that were considerably more efficient than required by the applicable energy code. Dwelling units had a majority of high-efficacy lighting, often in excess of the state’s residential code requirements. While high-efficacy fixtures were also typical in common areas (corridors and stairwells), lighting power densities (LPDs) in these areas were sometimes higher than levels dictated by the applicable part of the state commercial energy code. The simulation models run on a series of low-rise multifamily prototypes, informed by a composite of the field data collected, calculated annual EUIs of between 20 and 50 kBtu/ft2-yr, with the range representing the effects of both building characteristics and building location (climate zone). A detailed process (based on simulations of prototype buildings) was used to estimate the amount of avoided energy use that would occur if 100% adherence to energy codes were attained. The results indicated modest savings are attainable for items such as window thermal performance and common area lighting. The result is overall only a modest potential for additional energy savings, averaging about 10% of EUI.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Method Development for Measuring U Isotope Ratios by Laser Ablation MC-ICP-MS. Task 1: Hardware Setup

The aim of this project is to develop methodology to identify and analyze U and Pu containing particles using laser ablation MC-ICP-MS. The final methodology will ultimately be described in a detailed procedural document that will be shared with IAEA-NWAL laboratories. In this report, we describe the Task-1 deliverable; the setup and optimization of hardware required to perform U isotopic analyses by laser ablation MC-ICP-MS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗