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DOE OSTI2024

Co-optimization of nuclear reactor flexible power operation and maintenance scheduling

As flexible power operation of nuclear power plants becomes more attractive due to the reduction in fossil-fueled dispatchable generation on energy grids, finding optimal power production strategies that balance revenue generation with operational concerns becomes more complex. This article presents a general framework to aid operators in designing economically optimal long term dispatch strategies for nuclear power plants. The principal novelty is the linking of estimated system remaining useable life (RUL) to strategic operational decisions. It is shown that, depending on the relationship between the fixed costs from maintenance and the associated lost revenue from an outage, it can be economically optimal in the long term to delay a maintenance outage and not perform this alongside refueling. For a given relationship between power ramping and degradation, optimal strategies were found that discouraged load following in some situations while minimizing unnecessary maintenance. It is shown that heavy load following can cause maintenance and refueling outages to diverge due to their inverse relationships with respect to load following, potentially leading to a significant loss in capacity factor. As a result, this general framework can be applied to specific reactor dispatch allowing operators to adapt operational strategies as future grid conditions change.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Revealing the working mechanism of a multi-functional block copolymer binder for lithium-sulfur batteries

The lithium-sulfur (Li-S) battery is one of the most promising substitutes for current energy storage systems because of its low cost, high theoretical capacity, and high energy density. However, the high solubility of intermediate products (i.e., lithium polysulfides) and the resultant shuttle effect lead to rapidly fading capacity and a low coulombic efficiency, which hinder the practical application of Li-S batteries. In this study, block copolymers are constructed with both an ethylene oxide unit and a styrene unit and then used as binders for Li-S batteries. Electrochemical performance improvements are attributed to the synergistic effects contributed by the different units of the block copolymer. Here, the ethylene oxide unit traps polysulfide, which bonds strongly with the intermediate lithium polysulfide, and enhances the transport of lithium ions to reach high capacity. Meanwhile, the styrene unit maintains cathode integrity by improving the mechanical properties and elasticity of the constructed block copolymer to accommodate the large volume changes. By enabling multiple functions via different units in the polymer chain, high sulfur utilization is achieved, polysulfide diffusion is confined, and the shuttle effect is suppressed during the cycle life of Li-S batteries, as revealed by operando ultraviolet–visible spectroscopy and S K-edge X-ray absorption spectroscopy.

25 ENERGY STORAGE↗

DOE OSTI2022

Ultrasonic nondestructive diagnosis of lithium-ion batteries with multiple frequencies

Accurately estimating the state of charge (SoC) in battery management systems (BMSs) requires the measurement of numerous parameters and advanced algorithms. This work studies multifrequency ultrasonic waves to estimate the SoC of Li-ion batteries by sensing the material changes during charge/discharge. A pouch-type LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) graphite battery cell is designed and fabricated with a capacity of 2.4 Ah. Different ultrasonic testing setups are explored to determine the optimal testing parameters for the battery. An ultrasonic monitoring system is developed to monitor the battery during charge/discharge at 750 kHz, 1 MHz, and 1.5 MHz. Signal processing algorithms are proposed for extracting three ultrasonic features—amplitude, wave velocity, and attenuation. In a three-cycle test, the amplitude histories do not show clear correlations with the SoC. The wave velocities of all three frequencies have an approximately linear relationship with the SoC, which can be used for SoC estimation. Hysteresis behavior is observed for the wave velocity in terms of a larger slope in the discharge process and velocity drop after a close charge/discharge cycle. The wave attenuation is able to capture the material phase transitions during charge/discharge.

25 ENERGY STORAGE↗

DOE OSTI2023

Recycling of a post-industrial printed multilayer plastic film containing polyurethane inks by solvent-targeted recovery and precipitation

The recently reported Solvent-Targeted Recovery And Precipitation (STRAP) strategy is used to deconstruct multilayer plastic packaging films into their constituent resins by selective polymer dissolution. To broaden the applicability of STRAP, we demonstrate the process with a flexible post-industrial printed multilayer plastic film used for food packaging. The material was a reverse printed film composed of polyethylene (PE), ethylene vinyl alcohol (EVOH), polyethylene terephthalate (PET), and polyurethane (PU)-based inks. Removal of all colors was observed with biomass-derived gamma-valerolactone (GVL) and the recovered polymers possessed comparable properties to the corresponding virgin resins. A technoeconomic analysis indicates that this STRAP process could be economically feasible at a processing capacity of 6,000 tons per year. Furthermore, the production of plastic films with materials recovered by this STRAP process can have a lower climate change impact than the production of films from virgin polymers.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Exploring the Origin of Anionic Redox Activity in Super Li-Rich Iron Oxide-Based High-Energy-Density Cathode Materials

Super alkali-rich materials (alkali:transition metal ratio of ≥2:1), such as Li 5 FeO 4 , exhibit the potential to realize anionic redox upon deep delithiation. Li 5 FeO 4 was shown to undergo reversible cycling between Li 4 FeO 3.5 and Li 3 FeO 3.5 with combined cation/anion redox, a remarkable capacity of 189 mAh/g, and no O 2 release. However, the impact of phase transformations on the reaction thermodynamics and the correlation between the structural changes and reaction reversibility remain unclear. In this study, we use first-principles calculations to examine the delithiation and (re)lithiation reactions of Li 5 FeO 4 . We show that the experimentally observed charge and discharge processes go through non-equilibrium pathways. Upon delithiation, the compound undergoes a phase transformation from Li 5 FeO 4 , with tetrahedrally coordinated (T d ) Fe ions, to a delithiated disordered rocksalt structure, with octahedral (O h ) Fe ions. Fe-ion migration has an asymmetric kinetic barrier that makes T d → O h migration facile, whereas the reverse process has a much larger barrier, explaining the difficulties in reaction reversibility. We further elucidate the transition metal and O redox sequences during the charge cycle and identify the complex electrochemistry associated with the dual participation of cationic redox (Fe 3+ /Fe 4+ ) and anionic redox (O 2– /O – /O o ). Armed with this knowledge, we conduct high-throughput screening of known alkali-rich transition metal oxides by evaluating their potential to enable reversible anionic redox, with multiple candidates proposed for further experimental trials. Furthermore, our work provides a useful guide for the further development of super alkali-rich anionic-redox-active electrodes for high-energy-density batteries.

25 ENERGY STORAGE↗

DOE OSTI2022

High Entropy Oxide Relaxor Ferroelectrics

Relaxor ferroelectrics are important in technological applications due to strong electromechanical response, energy storage capacity, electrocaloric effect, and pyroelectric energy conversion properties. Current efforts to discover and design materials in this class generally rely on substitutional doping as slight changes to local compositional order can significantly affect the Curie temperature, morphotropic phase boundary, and electromechanical responses. In this work, we demonstrate that moving to the strong limit of compositional complexity in an ABO 3 perovskite allows stabilization of relaxor responses that do not rely on a single narrow phase transition region. Entropy-assisted synthesis approaches are utilized to synthesize single-crystal Ba(Ti 0.2 Sn 0.2 Zr 0.2 Hf 0.2 Nb 0.2 )O 3 [Ba(5B)O] films. The high levels of configurational disorder present in this system are found to influence dielectric relaxation, phase transitions, nanopolar domain formation, and Curie temperature. Temperature-dependent dielectric, Raman spectroscopy, and second-harmonic generation measurements reveal multiple phase transitions, a high Curie temperature of 570 K, and the relaxor ferroelectric nature of Ba(5B)O films. The first-principles theory calculations are used to predict possible combinations of cations to design relaxor ferroelectrics and quantify the relative feasibility of synthesizing these highly disordered single-phase perovskite systems. Further, the ability to stabilize single-phase perovskites with various cations on the B-sites offers possibilities for designing high-performance relaxor ferroelectric materials for piezoelectric, pyroelectric, and electrocaloric applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Visual‐Analytics Bridge Complexity and Accessibility for Robust Urban Water Planning

Urban water resources planning is complicated by unprecedented uncertainty in supply and demand. Real‐world planning often simplifies the full range of uncertainty faced by a system into a limited set of deterministic scenarios to enhance accessibility for decision‐makers and the public. However, overlooking uncertainty can expose the system to failures. On the other end of the spectrum, academically developed tools for scenario analysis rigorously quantify the combined effects of multiple sources of uncertainty, but the practical application of these models is limited by the challenges of information visualization and communication of results. In short, municipal water supply planners lack access to planning frameworks that effectively integrate a rigorous treatment of uncertainty with accessible, user‐friendly visual and interactive tools to enhance user accessibility. In this work, we fill this gap by proposing Visual‐Robust Decision Making, and demonstrate an application for the city of Santa Barbara (SB), CA. Santa Barbara faces multiple uncertainties from pending state and federal regulations to changing hydrology and water demand. The city seeks to increase its water portfolio robustness by expanding its seawater desalination plant, but must decide how much capacity to add. We introduce computational tools that assess uncertainty across nine uncertain drivers identified with the help of water planners in SB. To allow public participation in the desalination expansion decision, we develop interactive visual‐analytics to aid decision‐makers and stakeholders in navigating complex scenario analysis outcomes. Our results quantify the tradeoffs between increased capacity and system robustness and aim to enhance participation and uncertainty characterization of urban water planning efforts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

A Flux-Tunable cavity for Dark matter detection

Developing a dark matter detector with wide mass tunability is an immensely desirable property, yet it is challenging due to maintaining strong sensitivity. Resonant cavities for dark matter detection have traditionally employed mechanical tuning, moving parts around to change electromagnetic boundary conditions. However, these cavities have proven challenging to operate in sub-Kelvin cryogenic environments due to differential thermal contraction, low heat capacities, and low thermal conductivities. Instead, we develop an electronically tunable cavity architecture by coupling a superconducting 3D microwave cavity with a DC flux tunable SQUID. With a flux delivery system engineered to maintain high coherence in the cavity, we perform a hidden-photon dark matter search below the quantum-limited threshold. A microwave photon counting technique is employed through repeated quantum non-demolition measurements using a transmon qubit. With this device, we perform a hidden-photon search and constrain the kinetic mixing angle to ${\varepsilon}< 8.2\times 10^{-15}$ in a tunable band from 5.672 GHz to 5.694 GHz. By coupling multimode tunable cavities to the transmon, wider hidden-photon searching ranges are possible.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Tunable magnetic order in low-symmetry SeO 3 ligand linked TM 3 (SeO 3 ) 3 H 2 O ( TM =Mn , Co, and Ni) compounds

The ability to design crystal lattices with specific sublattice geometries has long been sought after especially in the context of harnessing magnetic frustration to elicit emergent physics. One approach which has seen some success recently is to design magnetic sublattices chemically through the use of nonmagnetic linker ligands as scaffolding for the magnetic ions. In this work we report the magnetic properties of one such family of materials, the transition metal (TM) selenite hydrates with chemical formula TM 3 (SeO 3 ) 3 H 2 O. These materials link highly distorted TMO 6 octahedra via nonmagnetic [SeO 3 ] 2+ linkers. Studying members with TM = Mn, Co, and Ni we use magnetic susceptibility and neutron powder diffraction to identify antiferromagnetic order in all three compounds with moderate frustration indexes. A comparison of the magnetic structures suggests that while the overall structure of the SeO 3 scaffolding remains unchanged the TM effects changes in the magnetic properties through tuning the internal bonding parameters and the single-ion physics. Changing from Mn to Co is found to be particularly consequential manifesting changes in both the ordered-moment direction and in the direction of the ordering vector. Field-dependent measurements of the susceptibility and heat capacity reveal metamagnetic transitions in both Mn 3 (SeO 3 ) 3 H 2 O and Co 3 (SeO 3 ) 3 H 2 O indicating nearby magnetic ground states accessible under relatively small applied fields. Density functional theory calculations broadly confirm these results, showing both a sensitivity of the magnetic structure to the TM and its local environment. Although no spin liquid behavior is achieved, these results suggest the fruitfulness of such synthesis philosophies and encourage future work to engender higher frustration in these materials via doping, field, pressure, or larger linker ligands.

36 MATERIALS SCIENCE↗

DOE OSTI2024

New Resource Adequacy Criteria for the Energy Transition: Modernizing Reliability Requirements

The transition toward a cleaner and more weather-dependent power system brings with it unprecedented challenges and opportunities for maintaining resource adequacy—namely, a future that includes rapid load growth, plant retirements, and a shift toward variable and energy-limited resources. Resource adequacy analyses, capacity accreditation, and the resource adequacy planning criteria are becoming increasingly important for power system planning and investment decisions. While previous ESIG reports evaluated the changing resource adequacy risks and planning practices created by the energy transition, none specifically examined potential changes to the resource adequacy criterion used for planning. The resource adequacy criterion sets the level of supply- and demand-side resources that are required for a given power system to meet reliability objectives. It is a pivotal standard that influences billions of dollars of investment decisions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1977

The ATS-6 power system: Hardware implementation and orbital performance

The Applications Technology Satellite-6 power system, a shunt-boost configuration, uses partial shunt regulation of the solar array and a boost regulator for control of battery power. Regulation is provided for three different operating modes: shunt, charge, and boost. This configuration achieves the highest efficiency of power transfer from the solar array to the loads. The excellent dynamic regulation and low output impedance of the power system virtually eliminated the problem of subsystem interactions on the power bus due to conducted interference from load current fluctuations. The performance of the power system continues to be excellent. The solar array degradation (18.5 percent) was less than the specified 20 percent in two years in spite of extreme cycling from -160 C to 60 C. A unique battery cycling regime of discharges varying from 5 percent to 60 percent daily is being encountered. During the second year, noneclipse discharges have occurred twice a day to depths of 35 percent and 45 percent. Battery performance was good with only a small decrease in end-of-discharge voltage. A recent test to evaluate capacity gave 12.4 AH (83% of the nominal capacity of 15 AH) after over 1400 battery discharge cycles. A small increase in the end-of-charge voltage has recently occurred necessitating a change in the charge regime to achieve full charge conditions.

Lavigna, T. A.↗

NASA NTRS1985

Basic cryogenics and materials. Phase 1

The effects of cryogenic temperatures on the mechanical and physical properties of materials are summarized. Heat capacity and thermal conductivity are considered in the context of conservation of liquid nitrogen, thermal stability of the gas stream, and the response time for changes in operating temperature. Particular attention is given to the effects of differential expansion and failure due to thermal fatigue. Factors affecting safety are discussed, including hazards created due to the inadvertent production of liquid oxygen and the physiological effects of exposure to liquid and gaseous nitrogen, such as cold burns and asphyxiation. The preference for using f.c.c. metals at low temperatures is explained in terms of their superior toughness. The limitations on the use of ferritic steels is also considered. Nonmetallic materials are discussed, mainly in the context of their LOX compatibility and their use in the form of foams and fibers as insultants, seals, and fiber reinforced composites.

Wigley, D. A.↗

NASA NTRS1985

Basic cryogenics and materials

Wigley, D. A.↗

NASA NTRS1989

Work, exercise, and space flight. 2: Modification of adaptation by exercise (exercise prescription)

The fundamentals of exercise theory on earth must be rigorously understood and applied to prevent adaptation to long periods of weightlessness. Locomotor activity, not weight, determines the capacity or condition of the largest muscles and bones in the body and usually also determines cardio-respiratory capacity. Absence of this activity results in rapid atrophy of muscle, bone, and cardio-respiratory capacity. Upper body muscle and bone are less affected depending upon the individual's usual, or 1-g, activities. Methodology is available to prevent these changes but space operations demand that it be done in the most efficient fashion, i.e., shortest time. At this point in time we can reasonably select the type of exercise and methods of obtaining it, but additional work in 1-g will be required to optimize the time.

Thornton, William↗

NASA NTRS1993

Reduced cost alternatives to premise wiring using ATM and microcellular technologies

The cost of premises wiring keeps increasing due to personnel moves, new equipment, capacity upgrades etc. It would be desirable to have a wireless interface from the workstations to the fixed network, so as to minimize the wiring changes needed. New technologies such as microcellular personal communication systems are promising to bring down the cost of wireless communication. Another promising technology is Code Division Multiple Access (CDMA), which could dramatically increase the bandwidth available for wireless connections. In addition, Asynchronous Transfer Mode (ATM) technology is emerging as a technique for integrated management of voice, data, and video traffic on a single network. The focus of this investigation will be to assess the future utility of these new technologies for reducing the premise wiring cost at KSC. One of the issues to be studied is the cost comparison of 'old' versus 'new,' especially as time and technology progress. An additional issue for closer study is a feasible time-line for progress in technological capability.

Gejji, Raghvendra R.↗

NASA NTRS1995

Validation of Global Climatologies of Trace Gases Using NASA Global Tropospheric Experiment (GTE) Data

Methane is an important trace gas because it is a greenhouse gas that affects the oxidative capacity of the atmosphere. It is produced from biological and anthropogenic sources, and is increasing globally at a rate of approximately 0.6% per year [Climate Change 1992, IPCC]. By using National Oceanic and Atmospheric Administration/Climate Monitoring and Diagnostics Laboratory (NOAA/CMDL) ground station data, a global climatology of methane values was produced. Unfortunately, because the NOAA/CMDL ground stations are so sparse, the global climatology is low resolution. In order to compensate for this low resolution data, it was compared to in-situ flight data obtained from the NASA Global Tropospheric Experiment (GTE). The smoothed ground station data correlated well with the flight data. Thus, for the first time it is shown that the smoothing process used to make global contours of methane using the ground stations is a plausible way to approximate global atmospheric concentrations of the gas. These verified climatologies can be used for testing large-scale models of chemical production, destruction, and transport. This project develops the groundwork for further research in building global climatologies from sparse ground station data and studying the transport and distribution of trace gases.

Courchaine, Brian↗

NASA NTRS1999

A Method for Forecasting the Commercial Air Traffic Schedule in the Future

This report presents an integrated set of models that forecasts air carriers' future operations when delays due to limited terminal-area capacity are considered. This report models the industry as a whole, avoiding unnecessary details of competition among the carriers. To develop the schedule outputs, we first present a model to forecast the unconstrained flight schedules in the future, based on the assumption of rational behavior of the carriers. Then we develop a method to modify the unconstrained schedules, accounting for effects of congestion due to limited NAS capacities. Our underlying assumption is that carriers will modify their operations to keep mean delays within certain limits. We estimate values for those limits from changes in planned block times reflected in the OAG. Our method for modifying schedules takes many means of reducing the delays into considerations, albeit some of them indirectly. The direct actions include depeaking, operating in off-hours, and reducing hub airports'operations. Indirect actions include using secondary airports, using larger aircraft, and selecting new hub airports, which, we assume, have already been modeled in the FAA's TAF. Users of our suite of models can substitute an alternative forecast for the TAF.

Long, Dou↗

NASA NTRS2003

Methylation of p16(INK4a) promoters occurs in vivo in histologically normal human mammary epithelia

Cultures of human mammary epithelial cells (HMECs) contain a subpopulation of variant cells with the capacity to propagate beyond an in vitro proliferation barrier. These variant HMECs, which contain hypermethylated and silenced p16(INK4a) (p16) promoters, eventually accumulate multiple chromosomal changes, many of which are similar to those detected in premalignant and malignant lesions of breast cancer. To determine the origin of these variant HMECs in culture, we used Luria-Delbruck fluctuation analysis and found that variant HMECs exist within the population before the proliferation barrier, thereby raising the possibility that variant HMECs exist in vivo before cultivation. To test this hypothesis, we examined mammary tissue from normal women for evidence of p16 promoter hypermethylation. Here we show that epithelial cells with methylation of p16 promoter sequences occur in focal patches of histologically normal mammary tissue of a substantial fraction of healthy, cancer-free women.

NASA Discipline Radiation Health↗