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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Update on Parallel Process Execution in the Next Generation System Analysis Model (NGSAM)

As of the end of 2022, it is estimated that over 90,000 metric tons of heavy metal (MTHM) of spent nuclear fuel (SNF) were stored at various commercial nuclear power reactor sites (both operating and shutdown) across the United States [1]. The Office of Storage and Transportation within the U.S. Department of Energy’s Office of Nuclear Energy is planning for the transportation, storage, and eventual disposal of SNF and high-level radioactive waste (HLW). To aid in this effort and inform decision-makers about the backend of the spent fuel cycle, systems analysis tools capable of analyzing the various options with respect to SNF and HLW management are being used as well as continuously improved to meet the evolving needs of the program. System analysts typically use these tools to vary underlying assumptions (shipping rates, available facilities, start dates, interim storage capacity, etc.) and study the associated system implications such as timing for clearing sites of SNF, various cost elements, transportation infrastructure acquisition needs, etc.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Commercialization of the Transportation-Security, Tracking, and Reporting System (T-STAR)

The Transportation-Security, Tracking, and Reporting System (T-STAR) was developed by the National Nuclear Security Administration, NA-21, Office of Radiological Security (ORS) to provide a transportation security system for detection and tracking during transport of Category 1 and Category 2 radiological material. Few off-the-shelf systems for conveyance tracking offer detection of a cargo compartment breach or a removal of the cargo. Systems that do offer this capability often require permanent installation through modifying of the conveyance itself. This is not sustainable in many countries where ORS is building use, storage, and transport security capacity. The development of T-STAR has moved from fielding robust prototypes deployed in countries ranging from North America, Latin America and Central Asia to a commercially produced product that can now be deployed to provide enhanced security during transit. Each prototype deployment resulted in important lessons learned, which informed the requirements for the final commercial product. T-STAR uses both cellular and Iridium satellite modems to provide redundant communications to provide the configuration, status, and alerts to a server monitoring the shipment, which is accessible using a multilanguage browser-based user interface. A wireless security system employing using Z-wave sensors for intrusion detection located in the conveyance provide low cost but effective solution for a wide range of conveyance types. Additional capabilities include the ability to monitor a vehicles’ CANBUS (Controller Area Network) system, an ethernet port for high throughput sensor information such as video cameras, and the ability to power and use advanced external sensor payloads. These features make the T-STAR a capable and expandable security gateway that can be deployed on a variety of conveyances from box trucks to open trailers. The ability to provide tracking, monitoring, and detection provide a key component in overall best practices designed to protect shipments of radioactive material.

Schultze, Michael [ORNL] (ORCID:0000000283205671)↗
DOE OSTI2025

Electrochemically in situ formed rocksalt phase in titanium dioxide determines pseudocapacitive sodium-ion storage

Earth-abundant TiO 2 is a promising negative electrode for low-cost sodium-ion batteries (SIBs) owing to its high capacity, rapid (dis)charging capability, safe operation potential and nonflammability. Crystalline anatase TiO 2 is not suitable for reversible Na + (de)intercalation, but it displays pseudocapacitive response after repeated cycles. Herein, we find and demonstrate that ordered rocksalt (RS) NaTiO 2 nanograins are in situ formed by electrochemically cycling with Na + ions in anatase and amorphous TiO 2 . The in situ formed RS-NaTiO 2 follows a solid-solution reaction with small volume changes of only 2.0%, that determines the pseudocapacitive “mirror-like” cyclic voltammetry curve with a couple of broad redox peaks at 0.75 V vs. Na + /Na, a high capacity of 253 mAh g −1 , high-rate capability and thousands of stable cycles. The multistep crystalline-to-amorphous-to-RS transformations are able to be electrochemically activated during the aging process of assembled full cells. Our finding provides a direction for developing unconventional Ti-based high-performance active materials for SIBs with both high energy and power densities.

Tang, Dafu [Xiamen University (China); Innovation ↗
DOE OSTI2021

The Demand-Side Opportunity: The Roles of Distributed Solar and Building Energy Systems in a Decarbonized Grid

Building energy systems represent a significant and largely untapped demand-side grid resource. Buildings use about 75% of electricity in the United States, including around 80% of peak demand, meaning that changes in building energy use have significant implications for grid operations. Building energy technologies-including energy-efficient devices, flexible loads, and energy storage-can be coordinated and aggregated to perform similar functions as centralized grid assets. Recent advances in information and communication (ICT) technologies have significantly improved building energy technology automation, coordination, and aggregation capabilities. With declining costs and technological advances, building energy systems can increasingly compete with conventional grid assets such as natural gas plants. Building energy technologies enable the deployment of distributed solar photovoltaics (DPV). Energy-efficient buildings allow DPV to meet greater shares of building load while flexible loads and energy storage can reshape building load profiles to optimize the on-site use of DPV. Optimized on-site use of DPV increases the value proposition for DPV adoption and can help utilities cost-effectively integrate higher levels of DPV penetration. Together, DPV and building energy technologies could help grids achieve deep decarbonization more quickly and cost-effectively.

14 SOLAR ENERGY↗
DOE OSTI2024

Transportation and System Analysis Collaborations in Support of a Federal Consolidated Interim Storage Facility

The U.S. Department of Energy’s Integrated Waste Management (IWM) program under the Office of Nuclear Energy is planning for the future transportation, storage, and eventual disposal of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from nuclear power plant and waste custodian sites across the United States. To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the IWM program has been sponsoring the development and application of system analysis tools capable of analyzing various options for managing SNF and HLW. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, start and stop dates of facilities, etc. The Next Generation System Analysis Model (NGSAM) is an agent-based simulation toolkit that is used for a system-level simulation and analysis focused on SNF management in the United States. NGSAM’s primary purpose is to provide a system analyst with capabilities to model the IWMS and gain insights into SNF and HLW management alternatives including the impact of system choices, associated cost estimates, and development of integrated yet flexible approaches. An analyst using NGSAM can define several factors like the number of storage facilities, capacity at each facility, transportation schedules, shipment rates, and other conditions. IWM is also developing the Stakeholder Tool for Assessing Radioactive Transportation (START). START is a web-based geospatial tool developed to provide the visualization and initial evaluation of transportation options associated with future SNF and HLW shipment planning and operations. This includes characterizing safety, economic, and environmental conditions at and in proximity to shipment origins as well as along prospective transportation routes. Information from the START tool can be presented/shared as maps, graphics, geospatial files, and tabular form to enable easy data representation and export functionality. The system analysis, NGSAM, and START teams have been working closely for several years before formalizing this collaboration. START provides the SNF transportation routing information for use in NGSAM. System analysts use the NGSAM tool to generate results (schedule, costs, infrastructure acquisitions, shipment rates, etc.). Subject-matter experts and system analysts work together to inform how NGSAM should model the waste management system. Specifically, this paper discusses the collaborations between the system analysis, NGSAM, and START teams and their accomplishments over the past year. Some examples of these efforts include calibrating and adding data to the START output files to meet NGSAM needs, gaining a better understanding of START data used in NGSAM as well as how updates in START data could result in an improved NGSAM analysis. Detailed examples of various tasks that have been performed by the team will be discussed in the full paper. Continued efforts in this direction are expected in the coming years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗
DOE OSTI2024

SMATool: Strength of materials analysis toolkit

The study of the strength of materials is a cornerstone in material science and engineering, playing a critical role in shaping the progress and application of materials in diverse industrial sectors. The strength of a material is meticulously examined to understand the behavior of the material under different stress conditions and environments, thereby guiding material selection and structural design. Herein, we introduce the SMATool, a computational toolkit for the efficient calculation and analysis of material strength at both zero and finite temperatures for 3D, 2D, 1D, and tubular 2D-based nanostructures and nanotubes, as well as 1D nanoribbons. The toolkit is capable of calculating tensile, shear, ultimate, yield, and indentation (Vickers' hardness) strengths in various dimensions, as well as the energy storage capacity. We conducted several calculations both at zero and finite temperatures to validate the accuracy and reliability of the developed software. Here, the results show that the SMATool package provides accurate predictions that align with existing data on material strength. SMATool integrates seamlessly with widely used electronic structure codes like VASP and Quantum Espresso, providing a user-friendly interface catering to academic researchers and industry professionals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nature of Terminating Hydroxyl Groups and Intercalating Water in Ti 3 C 2 T x MXenes: A Study by 1 H Solid-State NMR and DFT Calculations

Since the discovery of two-dimensional transition metal carbides, referred to as MXenes, research efforts targeted their applications in energy storage, as lithium-ion batteries and supercapacitors. This interest is attributable to MXenes’ large volumetric capacitance, high rate handling capability and stable cycling performance, which largely rely on surface chemistry provided by the terminating groups, such as -OH, -O, and -F. However, the atomic-scale characterization of these surface terminations challenges the diffraction methods. Solid-state (SS)NMR spectroscopy, especially 1 H SSNMR, is a promising approach for scrutinizing the surface terminations and the intercalated water in an atomistic-scale, yet only a few SSNMR studies in MXenes have been reported to date offering conflicting results and limited understanding of -OH terminations. Here, we used 1 H SSNMR experiments in concert with the DFT calculations of NMR parameters to identify multiple types of -OH groups, residing on the external and internal surfaces, in a commonly studied MXene, Ti 3 C 2 T x . The study also identifies bulk-like water trapped between the MXene flakes and interfacial water stranded on the surface. Lastly, two-dimensional 1 H -1 H correlation spectra elucidated the water-surface interactions and the mechanism of de-intercalation of water upon annealing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Operando Depth-Resolved Measurement of Solvation Entropy, Interfacial Transport, and Charge-Transfer Kinetics in Lithium-Ion Batteries

Understanding and improving the performance and longevity of lithium-ion batteries critically depends on insight into the dynamic processes occurring at buried electrode-electrolyte interfaces. However, direct, depth-resolved, and operando diagnosis of these interfaces remains a longstanding challenge due to their inaccessibility beneath bulk materials, the limitations of conventional surface- and bulk-sensitive characterization tools, and the difficulty of maintaining realistic cell environments during measurement. These challenges have made it nearly impossible to uniquely resolve important interfacial properties such as charge transfer resistance, SEI (solid electrolyte interphase) resistance, and solvation entropy at the individual electrode interfaces within a working cell, information that is essential for mechanistic insight and accelerated battery design. Here, in this study, we report the development of multiharmonic electro-thermal spectroscopy (METS), an operando technique that enables depth-resolved measurement of solvation entropy, interfacial transport resistance, charge-transfer resistance, and SEI resistance at individual electrode-electrolyte interfaces within practical lithium-ion batteries. By leveraging frequency-dependent, thermal-wave sensing and interface-specific modeling, METS uniquely attributes interfacial properties to specific electrodes, as validated by comparison with traditional electrochemical impedance spectroscopy (EIS). The ability to spatially and temporally resolve interfacial processes in real time provides new diagnostic capabilities that are crucial for mechanistic studies of battery degradation and for the rapid development of next-generation energy storage systems.

Chalise, Divya [University of California, Berkeley↗
DOE OSTI2020

A Shift Selection Strategy for Parallel Shift-invert Spectrum Slicing in Symmetric Self-consistent Eigenvalue Computation

The central importance of large-scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine treatment of eigenvalue problems with dimensions on the order of hundreds of thousands on the world’s largest supercomputers. In cases where dense treatments are not feasible, Krylov subspace methods offer an attractive alternative due to the fact that they do not require storage of the problem matrices. However, demonstration of scalability of either of these classes of eigenvalue algorithms on computing architectures capable of expressing massive parallelism is non-trivial due to communication requirements and serial bottlenecks, respectively. In this work, we introduce the SISLICE method: a parallel shift-invert algorithm for the solution of the symmetric self-consistent field (SCF) eigenvalue problem. The SISLICE method drastically reduces the communication requirement of current parallel shift-invert eigenvalue algorithms through various shift selection and migration techniques based on density of states estimation and k-means clustering, respectively. This work demonstrates the robustness and parallel performance of the SISLICE method on a representative set of SCF eigenvalue problems and outlines research directions that will be explored in future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

An AI-Enabled MODEX Framework for Improving Predictability of Subsurface Water Storage across Local and Continental Scales

Focal Area: (2) Predictive modeling through the use of AI techniques and AI-derived model components. (3) Insight gleaned from complex data using AI, big data analytics, and other advanced methods. We propose an AI-enabled model-experiment (MODEX) framework to improve the predictability of subsurface water storage (SWS) from local to conus scales in a changing environment by taking advantage of DOE’s observation and simulation capabilities, as well as to inform the model and the observation development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Stabilizing the Grid and Reducing Utility Bills Through Price-Responsive Controls for Heat Pump Water Heaters

The electricity grid is facing increasing challenges in cost-effectively balancing supply and demand. These challenges are exacerbated by increased penetration of photovoltaics, which causes mid-day overproduction, and electrification of gas appliances, which increases peak-period electricity demand. Decarbonization requires shifting building loads from fossil-intensive high-cost times to renewable-intensive low-cost times while maintaining quality of service to occupants. Utilities and ISO’s are investigating new ways of incentivizing this load shifting. One promising method is the use of Highly Dynamic Prices (HDPs). HDPs feature continuously changing prices that reflect real-time grid generation and distribution costs and capacity constraints, and thus incentivize consumers to shift their loads. California’s CPUC CalFUSE proposal and Hawaii’s recent changes demonstrate that electricity tariffs are moving towards this model. For this to work however, loads must have the capability to respond to these prices. Heat pump water heaters (HPWHs) are an ideal device for this purpose because their storage tanks decouple delivery of domestic hot water from electricity consumption. The storage enables control strategies that consume midday solar power to increase the energy stored in the tank, then provide evening peak domestic hot water services using the stored energy. Berkeley Lab's CalFlexHub project is pioneering price-driven load flexibility by developing and deploying cost-minimizing controls for many flexible loads - including HPWHs - in response to HDP. Control development is based on simulations using the Flexible Heat Pump Water Heater Performance Predictor which captures the control decisions of the on-board controller in a residential, integrated HPWH . The price-responsive controls a) shift load in ways that consume additional midday solar power to help stabilize the grid and reduce overall emissions, b) ensure that occupants receive equal or better hot water delivery service, and c) minimize the operating cost for each home in the fleet. On the grid level, the resulting shift will reduce utility operating costs and emissions, and can avoid expensive system capacity expansions. The control approach is customized to each home based on typical hot water consumption patterns. HPWH controllers, whether on the device or remotely, will receive a schedule of CTA-2045-B signals or set temperature adjustments customized to the current HDP price schedule and home. Simulation results for a fleet of 148 HPWHs on a summer day in Berkeley, California show cost savings of 29% and high price electricity consumption reductions of 80%, while maintaining full quality of service.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Commissioning of the IOTA Proton Injector

The Proton Injector for the IOTA storage ring (IPI) is being constructed at the Fermilab Accelerator Science and Technology facility (FAST). It will be a machine capable of delivering 20 mA pulses of protons at 2.5 MeV. IPI will operate alongside the existing electron injector beamline to facilitate further beam physics research and the continued development of novel accelerator technologies at the IOTA ring. This report details the results of the initial commissioning of IPI and an overview of the upcoming experiments with intense proton beams at IOTA.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Level-2 Milestone 9009: Flux and Rabbit Capabilities on El Capitan

This document is the milestone delivery report for the ASC 2025 L2 milestone (See Table 1) for advanced I/O capabilities for El Capitan via Flux Workload Manager support and the new I/O hardware designed for El Capitan, the Rabbit Storage System. In this document we describe the design of the Rabbit Storage System and how it is managed by Flux. We evaluate the performance and usability of Rabbit using ARES, IOR, and an AI inference workload. Overall, we find that Rabbit shows good scalability, especially in node-local storage configurations, and is more scalable than the global Lustre parallel file system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Biological Parts for Plant Biodesign to Enhance Land-Based Carbon Dioxide Removal

A grand challenge facing society is climate change caused mainly by rising CO 2 concentration in Earth’s atmosphere. Terrestrial plants are linchpins in global carbon cycling, with a unique capability of capturing CO 2 via photosynthesis and translocating captured carbon to stems, roots, and soils for long-term storage. However, many researchers postulate that existing land plants cannot meet the ambitious requirement for CO 2 removal to mitigate climate change in the future due to low photosynthetic efficiency, limited carbon allocation for long-term storage, and low suitability for the bioeconomy. To address these limitations, there is an urgent need for genetic improvement of existing plants or construction of novel plant systems through biosystems design (or biodesign). Here, we summarize validated biological parts (e.g., protein-encoding genes and noncoding RNAs) for biological engineering of carbon dioxide removal (CDR) traits in terrestrial plants to accelerate land-based decarbonization in bioenergy plantations and agricultural settings and promote a vibrant bioeconomy. Specifically, we first summarize the framework of plant-based CDR (e.g., CO 2 capture, translocation, storage, and conversion to value-added products). Then, we highlight some representative biological parts, with experimental evidence, in this framework. Finally, we discuss challenges and strategies for the identification and curation of biological parts for CDR engineering in plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Incorporating Combined Heat and Power Modeling into the REopt Lite Web Tool

The National Renewable Energy Laboratory (NREL) is working with project partners to extend the U.S. Department of Energy’s (DOE’s) REopt Lite tool to include combined heat and power (CHP) modeling capabilities. REopt Lite currently provides technoeconomic optimization and resilience analysis for grid-connected solar photovoltaics, (PV), wind, and battery storage at a site. The tool analyzes hourly data across the project lifecycle and evaluates the trade-off between capital costs, operating costs, and savings to find the most cost-effective mix of technologies.

Combined Heat and Power, CHP, Modeling, Tool, Fact↗
DOE OSTI2023

A Systematic Study to Determine 5G Baseline Performance for Scientific Computing

The fifth-generation (5G) cellular networks envisions achieving higher data rates, improved connectivity, reduced latency, and better quality of service (QoS) than the fourthgeneration (4G) cellular networks. Such improved performance can be utilized to address the challenges in applications such as electricity generation in power systems. The traditional power grids responsible for electricity generation suffer from drawbacks such as life-threatening blackout crises, and energy storage proliferation as they are not robust to extreme climatic conditions. A recent study proposed the idea of extending the capabilities of advanced wireless technologies such as the current 5G to develop a robust, energy-efficient, and secure smart grids. However there are two main challenges associated with the integration of power systems and wireless technologies. First, it is imperative to understand the architecture and the enabling technologies of 5G to ensure that the performance requirements of the smart grids are met. Second, an end-to-end testbed is required to determine if the performance requirements are met by estimating the 5G characteristics such as latency, and throughput. Our proposed alleviates the aforementioned concerns in the following manner. To begin with, a systematic study of the 5G architecture including both the StandAlone (SA) and Non-Standalone (NSA) operations is presented. Furthermore, a detailed survey of the possible 5G enabling technologies is elicited. In addition to these, an end-toend testbed that can estimate the 5G characteristics is explained in detail with appropriate preliminary results.

5G, 5G Communication↗
DOE OSTI2023

HERMES: A cyber-energy SAAS platform to provide real-time 2d and 3d interactive visualizations [SWR-23-15]

HERMES is a novel visualization SAAS platform for achieving real-time visualization of large-scale environments involving cyber-energy devices. The platform receives data from emulated environments which include physical hardware and network devices that represent a complex IT / OT system. The platform is capable of streaming, filtering, storing, and visualizing all data within the environment and scaling vertically and horizontally. This capability enables high fidelity visual analysis of events to be performed in real time as well as the collection and storage of historical data for forensic analysis.

Van Natta, Joshua↗