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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Well-to-wheels greenhouse gas and air pollutant emissions from battery electric vehicles in China

Electric vehicles (EVs) play a crucial role in addressing climate change and urban air quality concerns. China has emerged as the global largest EV market with 1.2 million EVs sold in 2018. This study established a novel life cycle energy use and emission inventory collecting up-to-date data including the electricity generation mix, emission controls in the power and industrial sectors, and the energy use in the fuel transport to estimate the well-to-wheels (WTW) greenhouse gas (GHG), and air pollutant emissions for battery electric vehicles (BEVs) and gasoline passenger vehicles in China. The results show that an average BEV has 35% lower WTW GHG emissions than an average gasoline car. BEVs reduce volatile organic compounds (VOCs) and nitrogen oxides (NOX) emissions by 98% and 34%, respectively, but have comparable or slightly higher primary fine particulate matter (PM2.5) and sulfur dioxide (SO2) emissions. Compact and small-size vehicles generally have lower GHG and air pollutant emissions than mid- and large-size vehicles. Class A vehicles contribute the most in the absolute amount of GHG and air pollutant emissions and therefore have the biggest potential for emission reduction. Our results suggest that global policymakers should continue to promote the transition to clean power sources, emission control, and fuel economy regulations, which are critical to enhancing emission mitigation benefits of BEVs. We also suggest EV development strategies should be formulated targeting vehicle class with the biggest emission mitigation potentials.

Air pollutant emissions↗
DOE OSTI2021

Invited Review Paper in Commemoration of Over 50 Years of Oxidation of Metals: Addressing the Role of Water Vapor on Long-Term Stainless Steel Oxidation Behavior

In the past 20 years, it has become clear that the long-term exposure of chromia-forming austenitic stainless steels to air containing ~ 10 vol% water vapor at 650–800 °C significantly increases the Cr consumption rate compared to laboratory air. However, a similar acceleration does not occur in 100% steam because O 2 is not available to form volatile CrO 2 (OH) 2 . As the research has shown, this accelerated Cr loss is particularly important for thin-walled components like gas turbine recuperators. Typically, conventional austenitic stainless steels exhibit accelerated attack (i.e., rapid formation of Fe-rich oxide nodules), while higher alloyed steels resist this type of degradation until the alloy surface becomes Cr depleted. The development of strategies and solutions for this issue are reviewed. Model Fe–Cr–Ni alloys have been used to study composition effects on this behavior. For example, increasing the Mn content up to ~ 4 wt% was not beneficial, but increasing the Ni content improved oxidation resistance in this environment. However, at 650–700 °C even highly alloyed steels showed surface Cr depletion at alloy grain boundaries resulting in Fe-rich oxide nodule formation. The path forward for this issue will require more refined mechanistic understanding and increased used of modeling to develop better application-specific lifetime models to identify the most cost-effective alloy solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of Water Vapor on Lifetime of 625 and 120 Foils During Oxidation Between 650 and 800 °C

In this work, the oxidation behavior of alloy 625 and 120 foils was studied at 650, 700 and 800 °C in dry air and flowing air + 10% H 2 O up to 10,000 h (alloy 625) or 30,000 h (alloy 120). The effect of water vapor on Cr loss was investigated. Manganese and iron in the 120 foil induced faster Cr depletion in the foil and breakdown of the Cr 2 O 3 scale into Fe and Cr-rich oxide compared to the alloy 625 foil. In the latter case, the presence of Nb led to the formation of Nb and Cr-rich oxide after breakdown of the Cr 2 O 3 scale. Simultaneous Cr loss due to oxidation and volatilization of the Cr 2 O 3 oxide scale was predicted and compared to experimental Cr loss measurements for exposures up to 30,000 h.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Cannabis monoterpene synthases: evaluating structure–function relationships

Terpene synthases catalyze the first committed step in the biosynthesis of terpenes, a structurally diverse class of natural products that also encompasses volatiles derived from precursors in the C10 to C15 range (termed monoterpenes and sesquiterpenes, respectively). In the review section of this article, we are providing information about all functionally characterized monoterpene synthases (MTSs) and sesquiterpene synthases (STSs) of Cannabis sativa L. We are also exploring the locations of MTSs and STSs in the chromosome-level assembly of the reference chemovar CBDRx. A follow-up computational structure–function analysis focuses on MTSs, as there is already a rich literature available on the topic. More specifically, by employing sequence comparisons and homology structural modeling, we infer which amino acid residues are likely to constrain the available space in the active site of cannabis MTSs. The emphasis of these studies was to investigate why some MTSs accept only a C10 diphosphate as substrate, while mixed MTS/STS enzymes also accommodate a C15 diphosphate. Here, by combining a literature review and computational analyses in a hybrid format, we are laying the foundation for future studies to better understand the determinants of substrate and product specificity in these fascinating enzymes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Ad Hoc File Systems for High-Performance Computing

Storage backends of parallel compute clusters are still based mostly on magnetic disks, while newer and faster storage technologies such as flash-based SSDs or non-volatile random access memory (NVRAM) are deployed within compute nodes. Including these new storage technologies into scientific workflows is unfortunately today a mostly manual task, and most scientists therefore do not take advantage of the faster storage media. One approach to systematically include nodelocal SSDs or NVRAMs into scientific workflows is to deploy ad hoc file systems over a set of compute nodes, which serve as temporary storage systems for single applications or longer-running campaigns. This paper presents results from the Dagstuhl Seminar 17202 “Challenges and Opportunities of User-Level File Systems for HPC” and discusses application scenarios as well as design strategies for ad hoc file systems using node-local storage media. The discussion includes open research questions, such as how to couple ad hoc file systems with the batch scheduling environment and how to schedule stage-in and stage-out processes of data between the storage backend and the ad hoc file systems. Also presented are strategies to build ad hoc file systems by using reusable components for networking and how to improve storage device compatibility. Various interfaces and semantics are presented, for example those used by the three ad hoc file systems BeeOND, GekkoFS, and BurstFS. Their presentation covers a range from file systems running in production to cutting-edge research focusing on reaching the performance limits of the underlying devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Limit to Accelerated Free-Sintering: Nano-Phase Separation Interferes With Organic Debinding

Nano-phase separating Ni–12 at. pct Ag powders are processed via high-energy ball milling and brought into a supersaturated state with a reduction of the grain size to the nanocrystalline scale, a combination that is designed to encourage rapid densification by phase separation upon heating. This unstable powder is then characterized by dilatometry, in-situ x-ray diffraction, thermogravimetry and microstructure analysis for sintering cycles up to 940 °C. However, these powder compacts exhibit excessive pore evolution and significant macroscopic swelling caused by removal of the organic process additives. This competition of organic removal with densification is known in nanocrystalline metals, but the present study adds an additional dimension of phase separation, which shifts the dominant swelling mechanism as the formation of the second phase traps the volatilizing organics and hinders the debinding process. The creep swelling and overall loss in relative density is then dominated by the creep deformation of the second Ag phase. The interference between organic removal and low-temperature onset of consolidation represents a new challenge to efforts aimed at rapid free sintering and should guide the design of rapidly sintering alloys; specifically, the present work emphasizes the need to select alloys that have their sintering-accelerating phase separation temperature above the range where gases are evolved.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ultrasound-driven fabrication of high-entropy alloy nanocatalysts promoted by alcoholic ionic liquids

High-entropy alloy nanoparticles (HEA-NPs) are highly underutilized in heterogeneous catalysis due to the absence of a reliable, sustainable, and facile synthetic method. Herein, we report a facile synthesis of HEA nanocatalysts realized via an ultrasound-driven wet chemistry method promoted by alcoholic ionic liquids (AILs). Owing to the intrinsic reducing ability of the hydroxyl group, AILs were synthesized and utilized as environmentally friendly alternatives to conventional reducing agents and volatile organic solvents in the synthetic process. Under high-intensity ultrasound irradiation, Au 3+ , Pd 2+ , Pt 2+ , Rh 3+ , and Ru 3+ ions were co-reduced and transformed into single-phase HEA (AuPdPtRhRu) nanocrystals without calcination. Characterization results reveal that the as-synthesized nanocrystals are composed of elements of Au, Pd, Pt, Rh, and Ru as expected. Compared to the monometallic counterparts such as Pd-NPs, the carbon-supported HEA nanocatalysts show superior catalytic performance for selective hydrogenation of phenol to cyclohexanone in terms of yield and selectivity. Our synthetic strategy provides an improved and facile methodology for the sustainable synthesis of multicomponent alloys for catalysis and other applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hydrocoals from waste biomass via catalytic hydrothermal carbonization processing

This study investigates how operating conditions (temperature and residence time) and benzoyl chloride impact hydrochar production from almond shells through hydrothermal carbonization. Carbon content rises while volatile matter decreases with increasing temperature, yielding a hydrochar with an estimated heating value of 28 MJ/kg. Elevated temperatures lower the O/C and H/C atomic ratios of hydrochars. Even at the lowest temperature under scrutiny, catalytic experiments using benzoyl chloride enhance carbonization and fuel ratio across all temperatures. Hydrochars produced through catalytic runs demonstrate elevated fuel ratios relative to those generated through noncatalytic runs, despite operating under the same conditions. These insights reveal the capacity of benzoyl chloride as a catalyst to improve hydrochar properties, suggesting its utility for advancing both the efficiency and effectiveness of hydrothermal carbonization processes.

09 BIOMASS FUELS↗
DOE OSTI2025

Application of Atmospheric Gases and Particulate Matter to the Assessment of Urban Heat Island

Background: Urban heat island (UHI), where built areas are warmer compared to non-urban regions, increases human related diseases and mortality. A key challenge in UHI analysis is the designation of sites as urban or suburban/rural; however, the growing complexity of green spaces in urban areas and the predominance of the transportation sector in nonurban areas creates a dilemma for distinct delineation. Objectives: This study aims to utilize the variability of atmospheric components such as particulate matter (PM), inorganic gases, and volatile organic compounds (VOCs) as direct tracers of the degree of urbanization for ground-based measurements to fully comprehend UHI in convoluted regions with indistinct delineation of urban and nonurban environments. Methods: Atmospheric gases and aerosols were used as direct tracers of urbanization for UHI analysis. Inorganic gases and particulate matter were monitored in two sites in a southeastern US city with varying degrees of urbanization. VOCs were analyzed using a proton transfer reaction time-of-flight mass spectrometer. Results: The more-urbanized site exhibited warmer night conditions and elevated total oxidant levels, leading to the formation of nanometer-sized particles. Machine learning analysis revealed similar atmospheric pollutant profiles for both sites, suggesting comparable sources and variability. Biogenic VOCs were enhanced at the less-urbanized site; however, levels of anthropogenic aromatic VOCs were comparable for both sites. A comprehensive mass spectra analysis revealed distinct molecular backbones per site that further affirmed the applicability of VOCs as indicators of urbanization. Conclusion: This study concludes that VOCs provide more direct and accurate information than typical inorganic gases and PM parameters for characterizing the degree of urbanization. Further exploration of VOCs can enhance our understanding of UHI dynamics and its interaction with vegetation in urban green spaces.

Air quality sensor↗
DOE OSTI2022

Standard operating procedures for the comprehensive and reliable analysis of cannabis terpenes

Terpenes are the primary determinants of cannabis flower aroma, and ongoing research tests their potential for impacting the overall experience. Frustratingly, despite the importance of terpenes in cannabis physiology and commercial uses, literature reports vary widely regarding the major constituents of volatile blends and the concentrations of individual terpenes. Here, in this article, we provide detailed descriptions of complementary approaches that will allow researchers to determine the identity and quantity of cannabis terpenes unequivocally and reliably. These standard operating procedures will guide decisions about which method to employ to address specific analytical goals. We are including two application examples to illustrate the utility of different approaches for tackling the analysis of terpenes in cannabis flower samples.

Polito, Joshua↗
DOE OSTI2021

Impact of cyberattacks on safety and stability of connected and automated vehicle platoons under lane changes

Connected and automated vehicles (CAVs) offer a huge potential to improve the operations and safety of transportation systems. However, the use of smart devices and communications in CAVs introduce new risks. CAVs would leverage vehicle to vehicle (V2V) and vehicle to infrastructure (V2I) communication, thus providing additional system access points compared to traditional systems. Automation makes these systems more vulnerable and increases the consequences of cyberattacks. This study utilizes an infrastructure-based communication platform consisting of cooperative adaptive cruise control and lane control advisories developed by the authors to perform cyber risk assessment of CAVs. The study emulates three types of cyberattacks (message falsification, dedicated denial of service, and spoofing attacks) in a representative traffic environment consisting of multiple CAV platoons and lane change events to analyze the safety and stability impacts of the cyberattacks. Simulation experiments using VISSIM reveals that traffic stream and CAV string is unstable under all three types of cyberattacks. The worst case is represented by the message falsification attack. Increases in volatility are observed over a no attack case, with variations increasing by an average of 43%–51% along with an increase of over 3000 crash conflicts. Similarly, lane change crash conflicts are observed to be more severe compared to rear end crash conflicts, showing a higher probability of severe injuries. Further, the case of slight cyberattack on a single CAV also creates significant disruption in the traffic stream. Analysis of variance (ANOVA) reveals the statistical significance of the results. Furthermore, these results pave the way for future design of secure systems from a monitoring perspective.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The role of driver head pose dynamics and instantaneous driving in safety critical events: Application of computer vision in naturalistic driving

This paper investigates the role of driver behavior especially head pose dynamics in safety–critical events (SCEs). Using a large dataset collected in a naturalistic driving study, this paper analyzes the head pose dynamics and driving behavior in moments leading up to crashes or near-crashes. The study uses advanced computer vision and mixed logit modeling techniques to identify patterns and relationships between drivers’ head pose dynamics and crash involvement. The results suggest that driver-head pose dynamics, especially poses that indicate distraction and movement volatility, are important factors that can contribute to undesirable safety outcomes. Marginal effects show that angular deviation for head pose dynamics indicated by yaw, pitch and roll increase the likelihood of crash intensity by 4.56%, 4.92% and 8.26% respectively. Furthermore, traffic flow and lane changing also contribute to increase in likelihood of crash intensity. These findings provide new insights into pre-crash factors, especially human factors and safety–critical events. The study highlights the importance of considering human factors in designing driver assistance systems and developing safer vehicles. This research contributes by examining naturalistic driving data at the microscopic level with early detection of behaviors that lead to SCEs and provides a basis for future research on automation.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Post-irradiation examination of the Sirius-1 nuclear thermal propulsion fuel test

Nuclear Thermal Propulsion (NTP) systems hold promise in reducing transit times for exploration of the solar system by both crewed and uncrewed missions. NTP systems currently under investigation include a once-through high-temperature gas-cooled fission reactor to provide thermal energy to heat the coolant, which also serves as the propellant. The fuel system consists of angular UN fuel particles dispersed in a matrix of W/Re, creating a ceramic and metallic composite or cermet, which has been irradiated in Idaho National Laboratory's (INL) Transient Reactor Test Facility (TREAT). This enabled evaluation of these materials under representative nuclear heating rates (~95 K/s) and peak surface temperatures (~2527 K). Further, these surface conditions were indicative of achievement of the target peak internal temperature of approximately 2850 K. These tests named Sirius-1 (UN–W/Re), have been irradiated and this paper will present post-irradiation examination results. The Sirius-1 test produced minor, stable cracks in the fuel specimen and spalling of surface material. Volatilized uranium ‘soot’ was found deposited on the inner wall of the irradiation capsule indicating loss of some fissile material from the fuel specimen. Spalling from the surfaces was also noted upon visual inspection. Uranium diffusion from the fuel particles resulted in the formation of U/Re phases and the production of a laminar microstructure on the edge of the fuel system. Overall, the specimen was stable and remained within a coolable geometry upon conclusion of multiple thermal cycles to prototypical operating temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Fragile-to-strong transition in liquid As 2 S 3 under pressure: The effect of melt metallization

The well-known classification of glass-forming melts into fragile and strong liquids has several notable exceptions, including water, silica, and certain phase-change materials (PCMs). These exceptional fluid systems exhibit a fragile-to-strong transition (FST) upon cooling: a transformation from a high-temperature liquid with fast atomic dynamics, low viscosity, and low flow activation energy, to a viscous supercooled melt with high energy barriers near the glass transition temperature T g . This behavior is critically important for non-volatile memories, photonic tensor cores, reconfigurable metamaterials, and other devices, that use PCMs, enabling nanosecond-scale crystallization in the fragile regime and long data retention in the strong regime near or below T g . A significant structural transformation is expected between these two viscosity regimes, along with a semiconductor-metal (SC-M) transition upon heating, driven by high internal pressure and associated density increase. By applying high external pressure to the canonical low-conducting chalcogenide melt As 2 S 3 , we observed both the FST and the SC-M transition, occurring simultaneously within the same domain of the P, T−phase space. These findings suggest that the FST is not limited to a few exceptional liquids but is a common phenomenon, at least in systems that exhibit melt metallization within specific regions of their P, T−phase diagrams.

first-principles molecular dynamics↗
DOE OSTI2025

Evaluating grid stress and reliability in future electricity grids across a range of demand, generation mix, and weather trends

The reliability of power grids in the future will depend on how system planners account for the integration of new technologies, extreme weather events, and uncertainties in demand growth from increased electrification and data centers. This study introduces an open-source, multisectoral, multiscale modeling framework that projects grid stress and reliability trends between 2020 and 2055 in the Western Interconnection of the United States. The framework integrates global to national energy-water-land dynamics with power plant siting and hourly grid operations modeling. We analyze future wholesale electricity price shocks and unserved energy events across eight scenarios spanning a range of population growth and economic change, generation mixes, and weather conditions. Our results show future grids with high percentage of non-renewable generation and strong economic growth are characterized by higher reliability and lower wholesale electricity prices than lower growth scenarios because of larger reliance on dispatchable generators and lower fossil fuel extraction costs. Scenarios with high percentage of renewable resources have lower median but more volatile wholesale electricity prices as well as more frequent and severe unserved energy events compared to scenarios relying more on dispatchable generators. These events occur because higher proportion of solar and wind energy causes net demand curves to deepen during midday (duck curves get progressively severe), exacerbating the challenge of meeting demand during summer evening peaks. This study suggests that robust and co-optimized transmission and energy storage planning could help maintain low wholesale electricity prices and high reliability levels in future electricity grids across uncertainties in generation mixes.

Electric grid reliability↗
DOE OSTI2021

Grazer-induced changes in molecular signatures of cyanobacteria

Algal biomass production is an emerging renewable source of fuels, nutrients, manufacturing materials, and pharmaceuticals. Industrial-scale production is predominantly performed in open raceway ponds that are inexpensive to build, operate, and maintain compared to closed bioreactors. However, these open pond systems suffer from increased opportunities for biological contamination from predators, pathogens, and competitors, which result in reduced biomass quality and yields and often the complete destruction of the crop over a short period of time. Early detection of contaminants is a necessary step of integrated pest management for triggering and informing interventions to prevent crop losses. To develop a sensitive method of detection utilizing mass spectrometry (MS), we used three methods – imaging mass spectrometry (imaging MS), liquid chromatography MS/MS (LC-MS/MS) combined with molecular networking, and gas chromatography MS/MS (GC–MS/MS) – to observe and identify molecular signatures from a model predator-prey system of the heterolobosean amoeba HGG1 preying on the filamentous cyanobacterium Anabaena sp. PCC 7120. Imaging MS enabled the association of molecules with the crop, the predator, or the activity of protozoan grazing, while LC-MS/MS-based molecular networking identified a subset of the grazing-specific signals as the chlorophyll breakdown products pyropheophytin, pheophorbide A, and pyropheophorbide. Application of MS techniques to other amoebacyanobacterial predator-prey pairs allowed categorization of grazing signatures as universal or specific to the species of prey, predator, or the prey-predator pairing, indicating that MS-based techniques can distinguish crops from competitors and potentially identify predators. Finally, GCMS/MS was shown to be capable of monitoring novel volatile organic compounds (VOCs), including those predicted to be released through chlorophyll breakdown, in the headspace over algal cultures under predation. Furthermore, these results demonstrate that the combination of multiple MS technologies creates a predictive framework to identify and catalog relevant molecular signatures for informing crop protection strategies.

09 BIOMASS FUELS↗
DOE OSTI2020

Combining model-based and model-free methods for stochastic control of distributed energy resources

Modern distribution systems are experiencing a fast transformation with the growing penetration of distributed energy resources (DERs). Along with the economic and environmental benefits of DERs, challenges arise to address the uncertainties caused by their inherent volatility. If properly coordinated, however, DERs have the potential to provide the controllability that grid operators need. Here, we propose a hierarchical control framework that combines the model-based and model-free methods for stochastic DER control in distribution systems. The upper-level scheduler considers a chance-constrained optimal power flow problem (model-based) that schedules DER setpoints to minimize the operational cost and maintain the operating reserve. The lower-level distributed DER controllers absorb real-time disturbances and uncertainties using the extremum seeking control (model-free) to achieve grid objectives. The combination of model-based and model-free methods allows us to take the advantages of both methods to effectively manage the uncertainty in distribution systems. The proposed work is demonstrated on the IEEE 13-node feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Timing Value of Marine Renewable Energy Resources for Potential Grid Applications

In this paper, the applicability of marine renewable energy for potential grid applications is presented. We show that many of the unique value streams from marine-based electricity generation stem from their inherent temporal characteristics, especially when compared to wind and solar. Specifically, in this work, we evaluate the timing value for three types of marine energy resources - (a) tidal (b) wave and (c) ocean currents. Firstly, through a suite of novel metrics such as resource availability, persistence and versatility, we evaluate the temporal value characteristics of these resources. Secondly, through a more grid-oriented numerical study, we comment on the potential ramifications of those temporal characteristics in context of energy balancing and effective load carrying capability, for one marine-based resource i.e. wave. Subsequently, we further our understanding of the relative advantages which may be leveraged by operating wave-based generation resources in tandem with more established renewable choices, such as solar and wind. Our results indicate that compared to wind and solar, marine energy resources are consistently more available and persistent on an hourly level, throughout an entire year of operation. In addition to this, wave resources are also seen to reduce both the magnitudes and the degree of volatility in balancing requirements within the power system. Our work not only focuses on sites specific to the Unites States (US), but also includes a parallel study for a location in Great Britain (GB). Results are found to be consistent for sites in both the US and GB, implying that the grid benefits discussed in this work could apply to a number of locations globally.

Bhattacharya, Saptarshi↗