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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Envisioning U.S. Climate Predictions and Projections to Meet New Challenges

In the face of a changing climate, the understanding, predictions, and projections of natural and human systems are increasingly crucial to prepare and cope with extremes and cascading hazards, determine unexpected feedbacks and potential tipping points, inform long-term adaptation strategies, and guide mitigation approaches. Increasingly complex socio-economic systems require enhanced predictive information to support advanced practices. Such new predictive challenges drive the need to fully capitalize on ambitious scientific and technological opportunities. These include the unrealized potential for very high-resolution modeling of global-to-local Earth system processes across timescales, reduction of model biases, enhanced integration of human systems and the Earth Systems, better quantification of predictability and uncertainties; expedited science-to-service pathways, and co-production of actionable information with stakeholders. Enabling technological opportunities include exascale computing, advanced data storage, novel observations and powerful data analytics, including artificial intelligence and machine learning. Looking to generate community discussions on how to accelerate progress on U.S. climate predictions and projections, representatives of Federally-funded U.S. modeling groups outline here perspectives on a six-pillar national approach grounded in climate science that builds on the strengths of the U.S. modeling community and agency goals. This calls for an unprecedented level of coordination to capitalize on transformative opportunities, augmenting and complementing current modeling center capabilities and plans to support agency missions. Tangible outcomes include projections with horizontal spatial resolutions finer than 10 km, representing extremes and associated risks in greater detail, reduced model errors, better predictability estimates, and more customized projections to support next generation climate services.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Electronic structure simulations in the cloud computing environment

The transformative impact of modern computational paradigms and technologies, such as high-performance computing, quantum computing, and cloud computing, has opened up profound new opportunities for scientific simulations. Scalable computational chemistry is one beneficiary of this technological progress. The main focus of this paper is on the performance of various quantum chemical formulations, ranging from low-order methods to high-accuracy approaches, implemented in different computational chemistry packages, such as NWChem, NWChemEx, SPEC, ExaChem, and FLOSIC codes on the Azure Quantum Element (AQE) Microsoft cloud services. We pay particular attention to the intricate workflows for performing composite chemistry simulations, associated data curation, and mechanisms for accuracy assessment, as defined by the enabling cloud Computational Chemistry as a Service (CCaaS). Our focus also extends to Arrows' automated workflow for high throughput simulations. Finally, we provide a perspective on the role of cloud computing in supporting the mission of leadership computational facilities (LCFs).

computational chemistry, electronic structure, Clo↗
DOE OSTI2023

Thin film charged particle detectors

Silicon tracking detectors have grown to cover larger surface areas up to hundreds of square meters, and are even taking over other sub-detectors, such as calorimeters. However, further improvements in tracking detector performance are more likely to arise from the ability to make a low mass detector comprised of a high ratio of active sensor to inactive materials, where dead materials include electrical services, cooling, mechanical supports, etc. In addition, the cost and time to build these detectors is currently large. Therefore, advancements in the fundamental technology of tracking detectors may need to look at a more transformative approach that enables extremely large area coverage with minimal dead material and is easier and faster to build. The advancement of thin film fabrication techniques has the potential to revolutionize the next-to-next generation of particle detector experiments. Some thin film deposition techniques have already been developed and widely used in the industry to make LED screens for TVs and monitors. If large area thin film detectors on the order of several square meters can be fabricated with similar performance as current silicon technologies, they could be used in future particle physics experiments. This paper aims to review the key fundamental performance criteria of existing silicon detectors and past research to use thin films and other semi-conductor materials as particle detectors in order to explore the important considerations and challenges to pursue thin film detectors.

Solid state detectors↗
DOE OSTI2020

Analysis of Space-Conditioning Loads in Commercial Buildings

Space conditioning end-uses, which include heating, cooling, and ventilation, represent a significant fraction of commercial building energy use, with a wide variety of heating and cooling technology options available in the market. In the interest of improving the overall efficiency of heating, ventilation and air-conditioning (HVAC) technologies, governments, utilities and private sector entities have implemented a variety of market transformation policies that aim to influence consumer purchase decisions. To evaluate the costs and benefits of such programs, analysts typically postulate a hypothetical default equipment choice, and compare it to one that provides comparable service with lower energy and/or power use. The corresponding reduced operating cost provides a benefit that offsets the potential higher cost of improved efficiency. Typically, life-cycle cost or cash-flow analyses are used to quantify the net economic benefit. These analyses require the capability to assess how a given equipment design would perform across a broad range of characteristics, both of the building and of the local weather. While these assessments can be performed using customized building simulations, it is generally not practical to develop and validate detailed building simulation code to cover all the potential variations of equipment design and installation. An alternative, and somewhat simpler, approach is to solely use detailed building simulations to generate time series of heating and cooling loads in commercial buildings. These loads can then be used as input to more detailed, stand-alone engineering models that simulate HVAC system performance under different equipment designs. This approach was used to evaluate a range of high-efficiency commercial packaged air conditioner design options for the Department of Energy’s Appliance and Equipment Standards Program (DOE-EERE 2015). While there may be some loss of precision relative to full simulation, the accuracy of this approach is sufficient for practical applications of cost-benefit analysis. This report describes the development of a database of commercial building heating and cooling loads, generated using the EnergyPlus software package, a whole building energy use model supported by the Department of Energy (DOE-EERE 2020a). EnergyPlus takes as input a set of configuration files that describe the building itself (size, zoning, envelope characteristics, etc.) and the various systems within it (HVAC, lighting, water heating, etc.). This analysis uses a publicly available collection of commercial reference buildings (CRB), comprised of sixteen building types and three vintages (DOE-EERE 2020b; Deru et al 2011). Each building is simulated in eighteen different locations, covering a wide range of climatic conditions. The prototype building description files assign the type of HVAC equipment used, and capacities across climate zones.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Weapons Research Services Division: Overview and Strategy 2024

Weapons Research Services are the principal stewards of data, information, and knowledge for the Weapons program. Empower the NNSA weapons mission through excellence in data stewardship, knowledge access, information assurance, and mission software. Lead the digital transformation of NNSA’s Weapons program data, information, and knowledge towards a more agile future.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2026

Powered By ERAD [Slides]

Energy Resilience Analysis for Distribution Power System (ERAD) is a free, open-source Python toolkit for estimating the energy and service impacts of hazards like earthquakes and flooding. It uses a graph-based approach to capture high resolution connectivity among the grid, critical services, and customers and rapidly compute household level metrics and aggregated statistics across large distribution systems. It uses asset fragility curves that relate hazard severity to survival probability for power system equipment including cables, transformers, substations, etc. The tool is designed to be modular and extensible, allowing it to interface with third-party hazard simulators and integrate into broader resilience analysis workflows. ERAD enables researchers, students, communities, distribution utilities, and other stakeholders to understand hazard impacts and evaluate the effectiveness of different programs to improve energy resilience. The webinar was hosted by NLR researcher Aadil Latif.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Strengthening the Security of Operational Technology: Understanding Contemporary Bill of Materials

The evolution of cyber-physical infrastructure has made its security more challenging. The last few years have witnessed a convergence of hardware and software segments in various domains, including operational technology (OT) which is responsible for carrying out critical tasks such as monitoring and controlling power grids, nuclear plants, transportation, and emergency services. Both hardware and software encapsulate numerous open source and proprietary subcomponents, making it crucial for end-users to understand the composition of the products they are using. For example, wind turbines incorporate thousands of lines of code (software) used for the turbine's design, planning, operation, and analytics in addition to the numerous hardware subcomponents that construct it. Due to the highly complex nature of software and hardware, knowledge of the components and subcomponents is required to mitigate cyber vulnerabilities and defend against cyberattacks. There has also been a transformation from a traditional linear supply chain into a global, dynamic, diverse, and interconnected system. The digitization of the supply chain makes it easier to find and exploit vulnerabilities. Critical infrastructures (e.g., power grids, oil, natural gas, water, and wastewater) rely on OT to function, and if the OT is compromised, equipment damage and potential interruption of services could result. A significant security measure to protect OT systems from disruption is to develop a supply chain bill of materials (BoM) corresponding to the software and hardware used in OT, along with attestations amongst vendors and asset owners. A supply chain BoM is a proactive way to understand the inherent vulnerabilities in the system and mitigate them in advance of being exploited. BoMs bolster the trust placed in the digital infrastructure and enhance software supply chain security by sustaining the management of component obsolescence and compliance, along with the seclusion of unsafe segments of a specific product. Adopting BoM tools is becoming increasingly important across various government sectors, as evidenced by the recent U.S. executive order on cybersecurity (NIST 2021). This paper aims to classify BoMs based on structure, functionality, component type, and architecture. The work also discusses case studies to further highlight the benefits of BoMs. In addition, it identifies missing pieces in existing BoM implementations so that future research may identify bounds on where it could expect to make improvements and directly enable researchers to identify promising areas for exploration. Further, the authors provide valuable recommendations to tool developers, researchers, and standardizing organizations (policymakers), additionally benefitting critical infrastructure owners and government executives. This aids in paving a path for future work, thereby, providing suggestions to determine a tool for consumers that best suit their needs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

White Paper on Transforming District Heating in Ukraine: Assessment and Recommendations

The purpose of this White Paper is to provide evidence-based guidance on reform approaches that are feasible in Ukraine and well-tested internationally. Based on experience in Europe, consistent, well-planned reforms can lead to significant improvements in DH services, transparency and financial stability. The White Paper describes key challenges faced by Ukraine’s DH sector and provides recommendations on developing and implementing a comprehensive 10-year-strategy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Origin, parameters, and underlying deformation mechanisms of propagating deformation bands in irradiated 316L stainless steel

Lüders-type propagating deformation bands were observed in specimens of irradiated 316L stainless steel samples removed from Spallation Neutron Source target vessels after service. Mechanical testing with digital image correlation (DIC) and in-situ tensile testing with scanning electron microscopy electron backscatter diffraction showed that the observed Lüders-type behavior was not related to the known transformation-induced plasticity or twinning-induced plasticity behavior. Instead, the phenomenon occurs at small local strain values before a significant amount of martensite or deformation twins appear in the microstructure. Microstructural analysis and in-situ mechanical test results suggest Lüders-type band formation and propagation were related to the appearance and evolution of defect-free channels—analogous to slip bands. A modified Swift equation with a Ludwigson-like component was offered to rationalize the phenomenon and model the strain-softening processes at small strain values. Finally, the results indicate complex microstructural processes and deformation mechanisms were active at small strain values and underline the benefits of advanced mechanical test approaches such as DIC.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A highly wear resistant nanostructured bainitic steel with accelerated transformation kinetics

A coupled Calculation of Phase Diagrams (CALPHAD), machine learning, and data mining approach was used to design a new, highly wear-resistant nanostructured bainitic steel. Arc melting of the designed compositions, dilatometry, and advanced microscopy indicate that the designed steel had a nanoscale dual-phase structure of ferrite and austenite (approximately 50 nm) with kinetics 7x faster for the onset of bainite and 2x faster for complete transformation. Under dry sliding conditions using the current state-of-the-art AISI 52100 bearing steel as the counter sample, the designed steel little to no wear, indicating its potential for applications in high-wear service conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental Analysis of Distribution Network Voltage Regulation Using Smart Inverters: Preprint

Smart inverters (SI) have huge potential in providing grid services which has not been fully realized yet. One of these grid services, distribution network voltage regulation by SI, can improve the network voltage by regulating the SI reactive and active power output. Voltage regulation by SI is much faster compared to traditional voltage regulating devices, e.g. tap changing transformer, capacitor banks. However, there is gap in available published literature on the characteristics of SIs when the SI is controlled by local controller or external control signal. This paper presents the experimental study to characterize SI reactive power regulation response to two different control methods: autonomous control method and remote dispatch method. It was found that IS reactive power regulation response could be significantly different in terms of delay, and ramp rate for these two methods. Finally, Power-Hardware-in-The-Loop (PHIL) tests were conducted to evaluate the performance of these two methods. The PHIL tests results show that SI response characteristics for autonomous control method and remote dispatch method need to be considered during planning for distribution network voltage regulation using SI.

autonomous control↗
DOE OSTI2021

Comprehensive Assessment of On-And Off-Board Vehicle-To-Grid Technology Performance and Impacts on Battery and the Grid

This project defined, developed, and tested the open standards-based requirements, engineering design and system integration of on and off-vehicle Vehicle-to-Grid technologies both on the grid and on the PEV, to assess their effectiveness in implementing the use cases that create value for the grid, which in turn, can be passed on to the ratepayers and the PEV owners. The project comprised of three key categories of work and four key sub-areas of work. The three key categories were: On-Vehicle V2G, Off-Vehicle V2G, and impact of V2G operation on the battery capacity degradation. The four key sub-areas of work under each of these categories were: defining requirements, implementing the technology, performing system integration testing, and estimating the value of each of the grid services under specific assumptions, on a per-vehicle and on an aggregated basis. The technical implementation demonstrated the validity of standards-based approach to grid integration that led to interoperability, in addition to assessing the operational details with grid constraints imposed at the transformer level. The technology implementation also identified the subtle gaps in the standards definition to close the feedback loop on the accuracy of the standards as written, which are being implemented as revisions to the appropriate protocols. The battery impacts assessment developed a test cycle that the batteries from a real PHEV were subjected to for both the mobility-only and mobility with V2G specific energy cycling. While the battery impact results show a clear incremental degradation in response to additional throughput for V2G application purposes, the amount of additional kWh that can be made available without exceeding the end-of-life capacity definition of the battery at its 10-year warranty period was found to be significant. Given that the PEV battery being exercised during testing was a PHEV battery (smaller energy capacity), and 44% of its usable energy (i.e., SOC) was utilized daily for V2G applications, the EVs with much larger batteries will fare much better, either in terms of extracting more value in terms of incremental kWh for V2G, or in terms of relative incremental degradation of the capacity through the battery lifespan. Further, this battery was the second-generation Lithium-Ion chemistry circa 2015, which is at least two generations ago. Continual improvements in electrochemistry and manufacturing techniques as well as on-board capacity will enable the future batteries to provide even more energy for non-mobility-related services. Finally, the valuation of V2G energy services at the premise, distribution, and the ISO/market level was carried out for both the on-vehicle and off-vehicle cases, to understand both the GHG mitigation and operational efficiency improvements in quantitative terms. The analysis indicates that between $\$400$ and $\$1400$ per year of total value to the grid can be realized. When netted of costs to implement V2G either on or off-vehicle, the net value is available to be shared between the ratepayers and the EV owners. Over the life of the EV, therefore, this value becomes significant and can easily provide both ratepayer and EV owner benefits more than the cost of the equipment, either on or off-board, in addition to providing GHG mitigation benefits both on the grid and on the mobility sides. For these benefits to accrue, the key learnings from both the on- and off-vehicle V2G parts of the project indicate the need for at-scale demonstrations through involvement of real EV owners to validate both the technical feasibility, interoperability, as well as real grid benefits by performing extensive data collection and analysis. This will help inform the grid planners, the program designs, and tariff designers, as well as automotive and equipment manufacturers how best to create their products to maximize grid, ratepayer, and EV owner value.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Energizing Robust Sulfur/Lithium Electrochemistry via Nanoscale-Asymmetric-Size Synergism

Sluggish redox kinetics and dendrite growth perplex the fulfillment of efficient electrochemistry in lithium–sulfur (Li–S) batteries. The complicated sulfur phase transformation and sulfur/lithium diversity kinetics necessitate an all-inclusive approach in catalyst design. Herein, a compatible mediator with nanoscale-asymmetric-size configuration by integrating Co single atoms and defective CoTe 2–x (Co SA -CoTe 2–x @NHCF) is elaborately developed for regulating sulfur/lithium electrochemistry synchronously. Substantial electrochemistry and theoretical analyses reveal that CoTe 2–x exhibits higher catalytic activity in long-chain polysulfide transformation and Li 2 S decomposition, while monodispersed Co sites are more effective in boosting sulfur reduction kinetics to regulate Li 2 S deposition. Such cascade catalysis endows Co SA -CoTe 2–x @NHCF with the all-around service of “trapping-conversion-recuperation” for sulfur species during the whole redox reaction. Furthermore, it is demonstrated by in situ transmission electron microscopy that initially formed electronic-conductive Co and ionic-conductive Li 2 Te provide sufficient lithiophilic sites to regulate homogeneous Li plating and stripping with markedly suppressed dendrite growth. Consequently, by coupling the Co SA -CoTe 2–x @NHCF interlayer and Li@Co SA -CoTe 2–x @NHCF anode, the constructed Li–S full batteries deliver superior cycling stability and rate performance, and the flexible pouch cell exhibits stable cycling performance at 0.3 C. In conclusion, the gained insights into the synergistic effect of asymmetric-size structures pave the way for the integrated catalyst design in advanced Li–S systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Medium-Voltage Testbed for Comparing Advanced Power Line Sensors vs. Measurement Transformers with Electrical Grid Events

Electrical utilities have relied upon potential transformers (PTs) and current transformers (CTs) for very accurate metering and to provide reliable signals for protective relays. Less expensive alternative sensing technologies offer the possibility of wider deployment, particularly in grids that employ distributed energy resources. In this work, the performance of an advanced medi-um-voltage sensor is compared with a reference PT and CT and experimentally evaluated for different power grid scenarios on an advanced outdoor power line sensor testbed at the US De-partment of Energy’s Oak Ridge National Laboratory. The sensor is based on a capacitive divider for voltage monitoring and a Rogowski coil with integrator for current monitoring. The advanced outdoor power line sensor testbed has a real-time simulator that was used to generate transient scenarios (e.g., electrical faults, capacitor bank operation, service restoration), while the analog signals were recorded by the same high resolution power meter. The behavior of analog signals, harmonic components, total harmonic distortion, and crest factors were assessed for this power line sensor compared with the reference PT/CT, because of the absence for testing standards for advanced outdoor power line sensors.

Piesciorovsky, Emilio↗
DOE OSTI2026

Linking Plant and Microbial Traits to Soil Carbon for Reliable and Resilient Bioenergy Systems

Bioenergy systems in the United States offer a dual opportunity to supply renewable feedstocks while enhancing ecosystem services such as hydrologic regulation, erosion control, and soil carbon (C) storage. National assessments highlight the potential to grow perennial energy crops to improve soil function and ecosystem resilience. Realizing this potential requires understanding the ecological mechanisms that govern how C is added, transformed, and stabilized in soils. Plant traits determine the quantity, depth, and chemistry of organic inputs, while microbial processes—including carbon use efficiency, necromass formation, and trophic interactions—mediate their transformation and partitioning among soil carbon pools. These biological pathways are shaped by soil physical and chemical properties, including aggregation, texture, and mineralogy, and by environmental drivers such as temperature, moisture, and disturbance, leading to context-dependent outcomes across landscapes. Management practices that diversify feedstocks, minimize disturbance, and maintain soil cover can promote both biomass production and C retention, while microbial amendments and rhizosphere engineering offer emerging, but often context-dependent, tools to optimize plant–microbe interactions. Trade-offs between biomass yield and soil carbon storage may arise when systems favor rapid aboveground productivity at the expense of belowground inputs and microbial processing, underscoring the importance of trait combinations that support both functions. Advances in monitoring, reporting, and verification—spanning precision agriculture, remote sensing, and biosensing—are improving predictive capacity through microbial-explicit process models and model–experiment (ModEx) frameworks. By connecting soil, plant, and microbial processes with advances in modeling and biosensing, this review outlines research priorities focused on trait-based parameterization and ModEx integration. These priorities will support the design of bioenergy systems that are both reliable and resilient, enhancing renewable energy production and ecosystem sustainability.

bioenergy systems↗
DOE OSTI2022

Elucidating the temperature dependence of TRIP in Q&P steels using synchrotron X-Ray diffraction, constituent phase properties, and strain-based kinetics models

Understanding the deformation-induced martensitic transformation (DIMT) is critical for interpreting the structure-property relationships that govern the performance of transformation-induced plasticity (TRIP) assisted steels. However, modern TRIP-assisted steels often exhibit DIMT kinetics that are not easily captured by existing empirical models based on bulk tensile strain. We address this challenge by combined bulk uniaxial tensile tests and in-situ high energy synchrotron X-ray diffraction, which resolved the phase volume fractions, stress-strain response, and microstructure evolution of each constituent phase. A modification of the Olson-Cohen model is implemented, which describes the martensitic transformation kinetics as a function of the estimated partitioned strain in austenite, rather than the bulk tensile strain. This DIMT kinetic model is used as a framework to clarify the root cause of an insufficiently understood toughness trough reported for TRIP-assisted steels during deformation at elevated temperatures. Here, the importance of the temperature-dependent toughness is discussed, based on the opportunity to modify deformation processes to tailor the DIMT kinetics and mechanical properties during forming and in service.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Beaver dams overshadow climate extremes in controlling riparian hydrology and water quality

Abstract Hydrologic extremes dominate chemical exports from riparian zones and dictate water quality in major river systems. Yet, changes in land use and ecosystem services alongside growing climate variability are altering hydrologic extremes and their coupled impacts on riverine water quality. In the western U.S., warming temperatures and intensified aridification are increasingly paired with the expanding range of the American beaver—and their dams, which transform hydrologic and biogeochemical cycles in riparian systems. Here, we show that beaver dams overshadow climatic hydrologic extremes in their effects on water residence time and oxygen and nitrogen fluxes in the riparian subsurface. In a mountainous watershed in Colorado, U.S.A., we find that the increase in riparian hydraulic gradients imposed by a beaver dam is 10.7–13.3 times greater than seasonal hydrologic extremes. The massive hydraulic gradient increases hyporheic nitrate removal by 44.2% relative to seasonal extremes alone. A drier, hotter climate in the western U.S. will further expand the range of beavers and magnify their impacts on watershed hydrology and biogeochemistry, illustrating that ecosystem feedbacks to climate change will alter water quality in river systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The Exascale Framework for High Fidelity coupled Simulations (EFFIS): Enabling whole device modeling in fusion science

We present the Exascale Framework for High Fidelity coupled Simulations (EFFIS), a workflow and code coupling framework developed as part of the Whole Device Modeling Application (WDMApp) in the Exascale Computing Project. EFFIS consists of a library, command line utilities, and a collection of run-time daemons. Together, these software products enable users to easily compose and execute workflows that include: strong or weak coupling, in situ (or offline) analysis/visualization/monitoring, command-and-control actions, remote dashboard integration, and more. We describe WDMApp physics coupling cases and computer science requirements that motivate the design of the EFFIS framework. Furthermore, we explain the essential enabling technology that EFFIS leverages: ADIOS for performant data movement, PerfStubs/TAU for performance monitoring, and an advanced COUPLER for transforming coupling data from its native format to the representation needed by another application. Finally, we demonstrate EFFIS using coupled multi-simulation WDMApp workflows and exemplify how the framework supports the project’s needs. We show that EFFIS and its associated services for data movement, visualization, and performance collection does not introduce appreciable overhead to the WDMApp workflow and that the resource-dominant application’s idle time while waiting for data is minimal.

97 MATHEMATICS AND COMPUTING↗