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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

NASA's Space Launch System Development Status

Development of the National Aeronautics and Space Administration's (NASA's) Space Launch System (SLS) heavy lift rocket is shifting from the formulation phase into the implementation phase in 2014, a little more than 3 years after formal program establishment. Current development is focused on delivering a vehicle capable of launching 70 metric tons (t) into low Earth orbit. This "Block 1" configuration will launch the Orion Multi-Purpose Crew Vehicle (MPCV) on its first autonomous flight beyond the Moon and back in December 2017, followed by its first crewed flight in 2021. SLS can evolve to a130t lift capability and serve as a baseline for numerous robotic and human missions ranging from a Mars sample return to delivering the first astronauts to explore another planet. Benefits associated with its unprecedented mass and volume include reduced trip times and simplified payload design. Every SLS element achieved significant, tangible progress over the past year. Among the Program's many accomplishments are: manufacture of core stage test barrels and domes; testing of Solid Rocket Booster development hardware including thrust vector controls and avionics; planning for RS- 25 core stage engine testing; and more than 4,000 wind tunnel runs to refine vehicle configuration, trajectory, and guidance. The Program shipped its first flight hardware - the Multi-Purpose Crew Vehicle Stage Adapter (MSA) - to the United Launch Alliance for integration with the Delta IV heavy rocket that will launch an Orion test article in 2014 from NASA's Kennedy Space Center. The Program successfully completed Preliminary Design Review in 2013 and will complete Key Decision Point C in 2014. NASA has authorized the Program to move forward to Critical Design Review, scheduled for 2015 and a December 2017 first launch. The Program's success to date is due to prudent use of proven technology, infrastructure, and workforce from the Saturn and Space Shuttle programs, a streamlined management approach, and judicious use of new technologies. The result is a safe, affordable, sustainable, and evolutionary path to development of an unprecedented capability for future missions across the solar system. In an environment of economic challenges, the nationwide SLS team continues to meet ambitious budget and schedule targets. This paper will discuss SLS Program and technical accomplishments over the past year and provide a look at the milestones and challenges ahead.

Lyles, Garry↗
NASA NTRS2017

Two-Pendulum Model of Propellant Slosh in Europa Clipper PMD Tank

The objective of this fluids analysis is to model propellant slosh for the Europa Clipper mission using a two-pendulum model, such that controls engineers can predict slosh behavior during the mission. Propellant slosh causes shifts in center of mass and exerts forces and torques on the spacecraft which, if not adequately controlled, can lead to mission failure. The two-pendulum model provides a computationally simple model that can be used to predict slosh for the Europa Clipper tank geometry. The Europa Clipper tank is cylindrical with a domed top and bottom and includes a propellant management device (PMD). Due to the lack of experimental data in low gravity environments, computational fluid dynamics (CFD) simulation results were used as 'real' slosh behavior for two propellants at three fill fractions. Key pendulum parameters were derived that allow the pendulum model's center of mass, forces, and moments to closely match the CFD data. The parameter trends were examined as a function of tank fill fraction and compared with solutions to analytic equations that describe the frequency of slosh in tanks with simple geometries. The trends were monotonic as expected, and parameters resembled analytical predictions; any differences could be explained by the specific differences in the geometry of the tank. This paper summarizes the new method developed at Goddard Space Flight Center (GSFC) for deriving pendulum parameters for two-pendulum equivalent sloshing models. It presents the results of this method and discusses the validity of the results. This analysis is at a completed stage and will be applied in the immediate future to the evolving tank geometry as Europa Clipper moves past its preliminary design review (PDR) phase.

Propellant Slosh↗
DOE OSTI2022

A Comprehensive Economic Coal Transition in South Asia

Many countries are considering accelerating their coal transition. A coal transition refers to an energy sector’s shift from a reliance on coal toward an energy mix largely based on cleaner fuels and renewable energy sources. Such a transition is not just related to greenhouse gas emissions, but also encompasses a range of benefits, recognizing that global energy costs and options are changing. Since 2015, proposed new coal power capacity has dropped by three-quarters globally, leaving only a few countries that develop coal-fired power plants at scale (Littlecott et al., 2021). Historic steps were taken at the United Nations Climate Change 26th Conference of Parties (COP26) in Glasgow, as countries pledged to stop new coal builds, end international coal financing, phase down and phase out unabated coal use, and transition to clean energy. In South Asia, there have been several indicators suggesting that countries may be open to moving toward a coal transition. For example, the number of coal power plants under development across South Asia has decreased by 87% since 2015 (Littlecott et al., 2021). However, the challenges of assuring a just transition are substantial. Because coal plays a critical role in the energy and economic systems in South Asia, especially India, moving away from coal means realizing a broader country-wide economic and social transition. A comprehensive, integrated transition strategy for each state is thus needed urgently. This report briefly reviews the current trends and policies on coal in South Asian countries, develops a framework for a comprehensive economic coal transition, and assesses the opportunities and challenges of the transition in key countries. Several important findings emerge from the analysis. First, a coal transition can support overall economic growth and stability. Financial advantages to a well-planned coal transition include mitigating the risk of stranded assets and taking advantage of low-cost renewables. As a global coal transition proceeds, funds are being diverted from new unabated coal power plants, and utilization rates are declining. The likelihood that coal assets will become stranded is increasing, and the potential for future losses therefore increases as well. Second, coal imports in South Asia are rising. Of the coal consumed in Bangladesh, India, Nepal, and Sri Lanka, 32% is imported; this number increases to 94% when excluding India (International Energy Agency [IEA], 2021d). This illustrates a serious energy security risk. One example is the recent increase in coal prices in South Asia, to be discussed in Section 2.2.1. A diverse energy portfolio that incorporates local renewable energy can provide resilience in the face of changing commodity prices and availability. Third, the social benefits of a coal transition include positive health impacts and broader economic improvements in job creation, although assuring a just transition may be a challenge. Phasing out or phasing down coal can significantly reduce air pollutant emissions and therefore minimize associated premature mortality and improve life expectancy. Additional societal benefits of a coal transition include the high economy-wide potential for job creation, although it creates challenges in terms of reintegration and resettlement for coal miners and their communities.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRSDate not supplied

Microbial Optical Data Processing: A Key Step in the Metabolic Assessment of Lunar Explorer Instrument for Space Biology Applications (LEIA) and Biosentinel’s Payload Data

The BioSensor payload platform on BioSentinel and LEIA autonomously collects optical data from microbial model organisms in liquid culture. The BioSensor is designed to monitor metabolic activity using absorbance measurements of cell density and alamarBlue, a readily available colorimetric redox indicator dye. BioSentinel, a pioneering NASA CubeSat, uses yeast to study deep space radiation. LEIA investigates radiation and lunar gravity response. The experimental setup includes 16 wells equipped with three LEDs (570, 630, and 850 nm) and their corresponding photodetectors. One well is a calibration control without biology while the rest have desiccated cultures. Autonomous rehydration initiates the experiment. Data from the BioSensor are received from the flight and ground units, enabling comparison to uncover location-based metabolic rate variations. This study presents a Python Jupyter notebook developed for efficient data processing of multiple CSV files containing date and time columns, temperature, and well illumination data. It offers a user-friendly interface while maintaining computational power, automatically recognizing and iteratively processing data files in a user-input path. A Hampel filter with a short window eliminates outlier artifacts from sensor dropout. Because absorbance is a relative measurement, conversion from raw illumination requires defining a “blank” value, so the first data points are averaged to provide the necessary denominator. A cube-root function correction mitigates undesired drift caused by air pockets during the fluidic card filling phase, maintaining optical path length consistency. Beer-Lambert's law is applied to further convert absorbance values to cell and dye form concentrations, the desired science parameters. The processed data are saved and visualized as SVG plots. Future plans include extracting specific science parameters from the processed data like growth rate and metabolic rate, and identification of features corresponding to metabolic and phenotypic shifts such as starvation, shifts from aerobic to anaerobic growth, and osmotic stresses.

Space biology↗
DOE OSTI2022

Review of Multifunctional Separators: Stabilizing the Cathode and the Anode for Alkali (Li, Na, and K) Metal–Sulfur and Selenium Batteries

Alkali metal batteries based on lithium, sodium, and potassium anodes and sulfur-based cathodes are regarded as key for next-generation energy storage due to their high theoretical energy and potential cost effectiveness. However, metal–sulfur batteries remain challenged by several factors, including polysulfides’ (PSs) dissolution, sluggish sulfur redox kinetics at the cathode, and metallic dendrite growth at the anode. Functional separators and interlayers are an innovative approach to remedying these drawbacks. Here we critically review the state-of-the-art in separators/interlayers for cathode and anode protection, covering the Li–S and the emerging Na–S and K–S systems. The approaches for improving electrochemical performance may be categorized as one or a combination of the following: Immobilization of polysulfides (cathode); catalyzing sulfur redox kinetics (cathode); introduction of protective layers to serve as an artificial solid electrolyte interphase (SEI) (anode); and combined improvement in electrolyte wetting and homogenization of ion flux (anode and cathode). It is demonstrated that while the advances in Li–S are relatively mature, less progress has been made with Na–S and K–S due to the more challenging redox chemistry at the cathode and increased electrochemical instability at the anode. Throughout these sections there is a complementary discussion of functional separators for emerging alkali metal systems based on metal–selenium and the metal–selenium sulfide. The focus then shifts to interlayers and artificial SEI/cathode electrolyte interphase (CEI) layers employed to stabilize solid-state electrolytes (SSEs) in metal–sulfur solid-state batteries (SSBs). The discussion of SSEs focuses on inorganic electrolytes based on Li- and Na-based oxides and sulfides but also touches on some hybrid systems with an inorganic matrix and a minority polymer phase. The review then moves to practical considerations for functional separators, including scaleup issues and Li–S technoeconomics. The review concludes with an outlook section, where we discuss emerging mechanics, spectroscopy, and advanced electron microscopy (e.g. cryo-transmission electron microscopy (cryo-TEM) and cryo-focused ion beam (cryo-FIB))-based approaches for analysis of functional separator structure–battery electrochemical performance interrelations. Finally, throughout the review we identify the outstanding open scientific and technological questions while providing recommendations for future research topics.

25 ENERGY STORAGE↗
NASA NTRS2014

Space Launch System Development Status

Development of NASA's Space Launch System (SLS) heavy lift rocket is shifting from the formulation phase into the implementation phase in 2014, a little more than three years after formal program approval. Current development is focused on delivering a vehicle capable of launching 70 metric tons (t) into low Earth orbit. This "Block 1" configuration will launch the Orion Multi-Purpose Crew Vehicle (MPCV) on its first autonomous flight beyond the Moon and back in December 2017, followed by its first crewed flight in 2021. SLS can evolve to a130-t lift capability and serve as a baseline for numerous robotic and human missions ranging from a Mars sample return to delivering the first astronauts to explore another planet. Benefits associated with its unprecedented mass and volume include reduced trip times and simplified payload design. Every SLS element achieved significant, tangible progress over the past year. Among the Program's many accomplishments are: manufacture of Core Stage test panels; testing of Solid Rocket Booster development hardware including thrust vector controls and avionics; planning for testing the RS-25 Core Stage engine; and more than 4,000 wind tunnel runs to refine vehicle configuration, trajectory, and guidance. The Program shipped its first flight hardware - the Multi-Purpose Crew Vehicle Stage Adapter (MSA) - to the United Launch Alliance for integration with the Delta IV heavy rocket that will launch an Orion test article in 2014 from NASA's Kennedy Space Center. Objectives of this Earth-orbit flight include validating the performance of Orion's heat shield and the MSA design, which will be manufactured again for SLS missions to deep space. The Program successfully completed Preliminary Design Review in 2013 and Key Decision Point C in early 2014. NASA has authorized the Program to move forward to Critical Design Review, scheduled for 2015 and a December 2017 first launch. The Program's success to date is due to prudent use of proven technology, infrastructure, and workforce from the Saturn and Space Shuttle programs, a streamlined management approach, and judicious use of new technologies. The result is a safe, affordable, sustainable, and evolutionary path to development of an unprecedented capability for future missions across the solar system. In an environment of economic challenges, the nationwide SLS team continues to meet ambitious budget and schedule targets. This paper will discuss SLS program and technical accomplishments over the past year and provide a look at the milestones and challenges ahead.

Lyles, Garry↗
DOE OSTI2022

American Made Challenges Battery Voucher Program Cooperative Research and Development Agreement (Cooperative Research and Development Final Report, CRADA Number CRD-21-17533)

Renewance is a Phase II winner of the U.S. Department of Energy Lithium-ion Battery Recycling Prize. The Prize is designed to incentivize American entrepreneurs to develop and demonstrate processes that, when scaled, have the potential to profitably capture 90% of all discarded or spent lithium-based batteries (LIB) in the Unites States for eventual recovery of key materials for re-introductions into the U.S. supply chain. The objective of this work is to enable a more efficient evaluation of battery sources for second life applications prior to ultimately being recycled, through evaluation of chemistry characteristics, projected battery lifetime, and application history. This work will develop the capability to identify groups of batteries that may be useful for second life and reduce the cost of end-of-life (EOL) LIB evaluation and repurposing. To meet the objective, NREL will use existing and new data to create a refined algorithm that could be used to evaluate batches of batteries for potential reuse based on manufacturing date and historical use characteristics. Based on current battery market prices and compiled literature data, a starting-point estimate of the market value of the batteries for reuse based on expected lifetime will be included in the algorithm. With the projected surge in LIB demand, battery second life is a new area ripe for development and investment from companies like Renewance. With so few large format batteries reaching EOL to date, this is a new market with a variety of areas for optimization and adding value. This work with Renewance is an example of how existing expertise in battery degradation at NREL can be used to reduce the cost of shifting a battery into a second life application. With these cost reductions, this work is also facilitating the development of a battery circular economy in the United States. A robust circular economy can maximize the utilization of critical metals demanded by battery technology such as nickel and cobalt while also reducing the costs of batteries in the marketplace for the many end-uses needed for the green energy transition. The supply of these metals is limited, and we face a supply chain shortage both domestically and globally unless we can ensure they are being used to their maximum potential. This research can improve the economics of a battery circular economy to make it a more likely path for EOL batteries with critical metals. CRADA benefit to DOE, Participant, and US Taxpayer: assists laboratory in achieving programmatic scope competencies, uses the laboratory's core competencies.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Replication of Segments of STS-94 as a Lunar Surface Mission

The Artemis program established the goal to land the first woman and first person of color on the Moon, but that is only the beginning of the program. Artemis plans to move towards a sustainable phase, with four crew living on the lunar surface for roughly 30-day annual missions, operating from a Pressurized Rover (PR) and a Surface Habitat (SH). The crew will split up – two living and operating from the PR and the others in the SH, perhaps swapping places halfway through the surface mission. There is a significant degree of maturity surrounding PR operations due to the NASA Desert Research and Technology Studies field tests from 2007-2011. However, there is a degree of uncertainty surrounding activity in the SH, with anecdotal speculation among some Artemis lunar surface engineers that the SH crew might not be fully utilized. Contrary to this belief, there is evidence in US human spaceflight history that the SH crew may instead be extremely busy. In particular, portions of the STS-94 Microgravity Science Lab mission demonstrate a science-based use case for crew activity in the SH. Fifteen Spacelab missions (not including STS-83, which was terminated early due to a fuel cell problem and reflown as STS-94) and eight Spacehab missions used the previously mentioned modules as science labs to expand the science capability of shuttle orbital missions, most flown prior to the assembly of the International Space Station. STS-94 is selected as an example of these flights. STS-94 was a 15.7-day mission with a 7-person crew. The crew operated in split 12-hour shifts, enabling 24-hour science operations. STS-94 used the space shuttle Columbia with the Spacelab module and Extended Duration Orbiter pallet in the cargo bay. The STS-94 physical science investigations were intended to explore various physical aspects of microgravity. These same investigations can be conducted on the Moon to explore 1/6 gravity. The Spacelab module was outfitted with several key facilities to enable this research: Large Isothermal Furnace, Combustion Module-1, Droplet Combustion Experiment, EXPRESS Rack, TEMPUS, Gravity Measurement Devices, and Middeck Glovebox. The current reference concept for the SH is a hybrid inflatable in a vertical orientation. Fairly typical of hybrid inflatables, the SH has an aluminum core pressurized section and a larger inflatable volume, in this case attaching to the top of the core. Two crew will live in the SH at a time, though four can briefly occupy the habitat, such as for contingency or handover activities. This paper will discuss use of the STS-94 physical science equipment in the SH and options for the architectural layout of a resulting physics laboratory. It will also discuss how this laboratory may accompany other science facilities such as biology, human research, and geology. The person hours used by the STS-94 crew to conduct physical science research will be estimated and then mapped to a two-person SH crew, making it possible to determine how many days are required in the SH to complete the lunar gravity physical science investigations at varying levels of crew availability.

STS-94↗
NASA NTRS2011

Drop Size Distribution Measurements Supporting the NASA Global Precipitation Measurement Mission: Infrastructure and Preliminary Results

Global Precipitation Measurement Mission (GPM) retrieval algorithm validation requires datasets that characterize the 4-D structure, variability, and correlation properties of hydrometeor particle size distributions (PSD) and accumulations over satellite fields of view (5 -- 50 km). Key to this process is the combined use of disdrometer and polarimetric radar platforms. Here the disdrometer measurements serve as a reference for up-scaling dual-polarimetric radar observations of the PSD to the much larger volumetric sampling domain of the radar. The PSD observations thus derived provide a much larger data set for assessing DSD variability, and satellite-based precipitation retrieval algorithm assumptions, in all three spatial dimensions for a range of storm types and seasons. As one component of this effort, the GPM Ground Validation program recently acquired five 3rd generation 2D Video disdrometers as part of its Disdrometer and Radar Observations of Precipitation Facility (DROP), currently hosted in northern Alabama by the NASA Marshall Space Flight Center and the University of Alabama in Huntsville. These next-generation 2DVDs were operated and evaluated in different phases of data collection under the scanning domain of the UAH ARMOR C-band dual-polarimetric radar. During this period approximately 7500 minutes of PSD data were collected and processed to create gamma size distribution parameters using a truncated method of moments approach. After creating the gamma parameter datasets the DSDs were then used as input to T-matrix code for computation of polarimetric radar moments at C-band. The combined dataset was then analyzed with two basic objectives in mind: 1) the investigation of seasonal variability in the rain PSD parameters as observed by the 2DVDs; 2) the use of combined polarimetric moments and observed gamma distribution parameters in a functional form to retrieve PSD parameters in 4-D using the ARMOR radar for precipitation occurring in different seasons and for different rain system types. Preliminary results suggest that seasonal variations in the DSD parameters do occur, but are most pronounced when comparing tropical PSDs to either winter or summer convective precipitation. For example the previously documented shift to relatively smaller drop diameters in higher number concentrations for equivalent rain rate bins was observed in tropical storm rainbands occurring over Huntsville. On a more inter seasonal basis empirical fits between parameters such as D0 and ZDR do not appear to exhibit robust seasonal biases- i.e., one fit seems to work for all seasons within acceptable standard error (O[10%]) for estimates of D0. In polarimetric retrievals of the vertical variability in PSD (rain layer) for a tropical rainband we find that the Do varies with height when partitioned by specified precipitation categories (e.g., convective or stratiform, heavy and light stratiform etc.) but this variation is of order 10-20% and is smaller than the difference in D0 observed between the basic delineation of convective and stratiform precipitation types. Currently we are expanding our analysis of the vertical structure of the PSD to include several seasonally and/or dynamically-different storm system types (e.g., winter convection and stratiform events; summer mid-latitude convective etc.) sampled by ARMOR. The study will present the results of our combined analyses.

Petersen, Walter A.↗
NASA NTRS2009

An Analysis of Moisture Fluxes into the Gulf of California

This study examines the nature of episodes of enhanced warm-season moisture flux into the Gulf of California. Both spatial structure and primary time scales of the fluxes are examined using the 40-yr ECMWF Re-Analysis data for the period 1980-2001. The analysis approach consists of a compositing technique that is keyed on the low-level moisture fluxes into the Gulf of California. The results show that the fluxes have a rich spectrum of temporal variability, with periods of enhanced transport over the gulf linked to African easterly waves on subweekly (3-8 day) time scales, the Madden-Julian oscillation (MJO) at intraseasonal time scales (20-90 day), and intermediate (10-15 day) time-scale disturbances that appear to originate primarily in the Caribbean Sea-western Atlantic Ocean. In the case of the MJO, enhanced low-level westerlies and large-scale rising motion provide an environment that favors large-scale cyclonic development near the west coast of Central America that, over the course of about 2 weeks, expands northward along the coast eventually reaching the mouth of the Gulf of California where it acts to enhance the southerly moisture flux in that region. On a larger scale, the development includes a northward shift in the eastern Pacific ITCZ, enhanced precipitation over much of Mexico and the southwestern United States, and enhanced southerly/southeasterly fluxes from the Gulf of Mexico into Mexico and the southwestern and central United States. In the case of the easterly waves, the systems that reach Mexico appear to redevelop/reorganize on the Pacific coast and then move rapidly to the northwest to contribute to the moisture flux into the Gulf of California. The most intense fluxes into the gulf on these time scales appear to be synchronized with a midlatitude short-wave trough over the U.S. West Coast and enhanced low-level southerly fluxes over the U.S. Great Plains. The intermediate (10-15 day) time-scale systems have zonal wavelengths roughly twice that of the easterly waves, and their initiation appears to be linked to an extratropical U.S. East Coast ridge and associated northeasterly winds that extend well into the Caribbean Sea during their development phase. The short (3-8 day) and, to a lesser extent, the intermediate (10-15 day) time-scale fluxes tend to be enhanced when the convectively active phase of the MJO is situated over the Americas.

Wu, Man-Li C.↗
NASA NTRS2003

Methods for Determining the Level of Autonomy to Design into a Human Spaceflight Vehicle: A Function Specific Approach

The next-generation human spaceflight vehicle is in a unique position to realize the benefits of more than thirty years of technological advancements since the Space Shuttle was designed. Computer enhancements, the emergence of highly reliable decision-making algorithms, and an emphasis on efficiency make an increased use of autonomous systems highly likely. NASA is in a position to take advantage of these advances and apply them to the human spaceflight environment. One of the key paradigm shifts will be the shift, where appropriate, of monitoring, option development, decision-making, and execution responsibility from humans to an Autonomous Flight Management (AFM) system. As an effort to reduce risk for development of an AFM system, NASA engineers are developing a prototype to prove the utility of previously untested autonomy concepts. This prototype, called SMART (Spacecraft Mission Assessment and Replanning Tool), is a functionally decomposed flight management system with an appropriate level of autonomy for each of its functions. As the development of SMART began, the most important and most often asked question was, How autonomous should an AFM system be? A thorough study of the literature through 2002 surrounding autonomous systems has not yielded a standard method for designing a level of autonomy into either a crewed vehicle or an uncrewed vehicle. The current focus in the literature on defining autonomy is centered on developing IQ tests for built systems. The literature that was analyzed assumes that the goal of all systems is to strive for complete autonomy from human intervention, rather than identifying how autonomous each function within the system should have been. In contrast, the SMART team developed a method for determining the appropriate level of autonomy to be designed into each function within a system. This paper summarizes the development of the Level of Autonomy Assessment Tool and its application to the SMART project.

AFM (AUTONOMOUS FLIGHT MANAGEMENT)↗
DOE OSTI2025

The advanced evolution of massive stars

The nuclear rates for reactions involving 12 C and 16 O are key to computing the energy release and nucleosynthesis evolution of massive stars during their advanced burning phases. Ultimately, these burning rates shape the stellar structure and evolution and influence the nature of the compact objects produced at the end of the stellar life. We explore the implications of new nuclear reaction rates from both experimental and theoretical studies for 12 C(α, γ) 16 ​O, 12 C+ 12​ C, 12 C+ 16 ​O, and 16 O+ 16 ​O reactions for massive stars. Our goal is to investigate how the chemical structure and nucleosynthesis evolve from the He-exhaustion stage to the O-burning phase and how these processes influence the ultimate stellar fate. We computed rotating and non-rotating models for stars of different masses at solar metallicity. We used the stellar evolution code GENEC, which includes a large network of nuclear reactions and isotopes involved in advanced phases, as well as updated rates for 12 C(α,γ) 16 O. For the three fusion reactions involving 12 C and 16 O, we considered new rates following a data-driven fusion suppression scenario (hereafter HIN(RES)) and new theoretical rates obtained with time-dependent Hartree-Fock (TDHF) calculations. The updated 12 C(α, γ) 16 ​O rates mainly impact the chemical structure evolution changing the 12 C/ 16 O ratio at He-exhaustion and have little effect on the CO core mass. This variation in the 12 C/ 16 O ratio is in some cases critical for predicting the final fate of the model, which is very sensitive to 12 C abundance, and in particular the 20 M ⊙ remnant may change from a black hole to a neutron star. The He-burning (C-burning) lifetime is also decreased (increased) by about −2% (+15%). The combined new rates for 12 C+ 12 ​C and 16 O+ 16 ​O fusion reactions according to the HIN(RES) model lead to shorter C- and O-burning lifetimes by ≈ − 10%, and −50%, respectively, and shift the ignition conditions to higher temperatures and densities. In contrast, the theoretical TDHF rates primarily affect C-burning, increasing its duration by about 30% and lowering the ignition temperature. These changes modify the chemical structure of the core, the size and duration of C-burning shells, and hence their compactness. They also impact the central and shell nucleosynthesis (by ±1 dex and by factors of ±2–10, respectively), while 12 C+ 16 ​O reaction rates variations remain the least important.

abundances↗
DOE OSTI2021

Orbital and spin character of doped carriers in infinite-layer nickelates

The recent discovery of superconductivity in Nd1-xSrxNiO2 has drawn significant attention in the field. A key open question regards the evolution of the electronic structure with respect to hole doping. Here we exploit x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) to probe the doping-dependent electronic structure of Nd1-xSrxNiO2. Upon doping, a high-energy feature in Ni L3-edge XAS develops in addition to the main absorption peak, while XAS at the O K-, Nd M3- and Nd M5-edge exhibits a much weaker response. This implies that doped holes are mainly introduced into Ni 3d states. By comparing our data to atomic multiplet calculations including D4h crystal field, the doping-induced feature in Ni L3-edge XAS is consistent with a d8 spin-singlet state in which doped holes reside in the 3dx2-y2 orbitals. This is further supported by the softening of RIXS orbital excitations due to doping, corroborating with the Fermi level shift associated with increasing holes in the Ni 3dx2-y2 orbital.

2-dimensional systems↗
DOE OSTI2021

Root Influences on Mobilization and Export of Mineral-bound Soil Organic Matter

Biogeochemical cycles within mountainous watersheds are key regulators of ecosystem carbon storage and downstream nutrient loadings, and they have shown to be particularly vulnerable to climate change impacts. Increasing temperature and persistent droughts have already dramatically changed vegetation cover across the mountainous western US, with unknown consequences for soil carbon and nutrient cycles belowground. What remains elusive is to what extent associated changes in root-soil interactions may mobilize the vast pool of organic matter (OM) that has been stabilized by associations with minerals for centuries or millennia. Although plant root-driven OM mobilization from minerals may be a central control on carbon loss and nutrient export, such mechanisms are currently missing from conceptual and numerical models. The overall objective of this Exploratory Project is to identify the biogeochemical mechanisms by which roots destabilize mineral-associated organic matter (MAOM) and the cumulative impact on carbon and nutrient fate. To accomplish this goal, we integrated well-controlled laboratory experiments with in-field measurements and a scalable modeling approach. First, we conducted model system experiments to assess the vulnerability of MAOM to exudate-mediated mechanisms. Our results show that common root exudates effectively destabilize MAOM not only through direct, ligand-driven mobilization mechanisms, but also indirect, microbially-mediated mechanisms relying on secondary metabolites and enzymes. We further found that OM bound to poorly crystalline Fe and Al (hydr)oxides is more vulnerable to exudate-induced destabilization than OM bound to more crystalline phases, particularly in response to direct, ligand-promoted mechanisms. These findings demonstrate that the stability of MAOM is not just a function of their inherent properties, but also will depend in large parts on the ability of plant roots and microbes to produce exudates capable of triggering suitable mobilization mechanisms. We further employed a well-controlled rhizobox approach, combining advanced microsensor and mass spectrometry techniques, to resolve spatiotemporal variations in the composition and availability of exudates along single growing roots of grasses. Our results show that the composition of functionally relevant exudate compounds varies at extremely short time scales, seemingly shifting from ligands such as aromatic acids around root tips to less reactive metabolites such as amino acids around mature root segments. These results suggest a prevalence of direct MAOM mobilization mechanisms around the root tip, while indirect MAOM mobilization strategies may dominate around more mature root segments. Additionally, we utilized microsensor measurements in rhizoboxes to parameterize a rhizosphere (hydro)biogeochemistry reactive transport model (eSTOMP-ROOTS). The resulting model was used to assess how root exudations affects the stability of MAOM. Model simulations show that diel pulses of root exudation are strong enough to cause oscillations in biogeochemical conditions—particularly in pH, oxygen concentrations, and microbial activity— that repeatedly disrupt MAOM. Finally, we assessed field-scale impacts of root-driven MAOM destabilization over short and long time scales. A combination of in-field incubations and field-based characterizations showed that MAOM may not only be vulnerable to seasonal variations in root activity, but also to root-driven weathering over pedogenic time scales. In sum, results from our Exploratory Award highlight the strong control plant roots exert on MAOM mobilization and, thus, on the potential for carbon and nutrient export from watersheds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Supercritical Carbon Dioxide Primary Power Large-Scale Pilot Plant

The United States electrical power generation fleet encompasses a wide range of technologies, ranging from traditional combustion-based power generation, to nuclear power, to renewable energy. While the distribution of these assets continues to shift due to economic and regulatory influences, coal combustion continues to be a key part of the US energy portfolio. Despite the relative maturity of coal combustion technology, improvements in overall fuel-to-power efficiency and generation flexibility are still possible and will improve both the economic and environmental factors of coal combustion. Echogen Power Systems proposes to lead a world-class team including the University of Missouri, Electric Power Research Institute and Louis Perry Associates in the design, construction and operation of a 10MWe coal-fired supercritical carbon dioxide (sCO 2 ) large-scale pilot. This transformational technology uses sCO 2 as a working fluid instead of water to achieve high thermodynamic efficiencies that can significantly exceed advanced steam-Rankine cycles. Further, the compact nature of sCO 2 turbomachinery offers capital cost and footprint advantages, and the low maintenance of a water-free power cycle can significantly reduce operation and maintenance (O&M) costs over conventional steam-Rankine systems. Recent integration studies of sCO 2 with coal combustion power plants highlight the significant improvements in plant efficiency that sCO 2 can offer relative to even advanced steam Rankine cycles. At commercial scales, coal-sCO 2 plant net efficiency is predicted to be 39-44.0% (HHV), or 10-20% higher output than conventional steam-Rankine systems, which will significantly improve the competitiveness of coal-fired generation. This proposal builds upon projects previously funded by the Department of Energy, including DE-FE0025959 (High-Efficiency Thermal Integration of Closed Supercritical CO 2 Brayton Power Cycles with Oxy-Fired Heaters) and DE-NE0008470 (Conceptual Design for sCO 2 Power Cycle Test Facility). An appropriately-scaled and properly designed and operated pilot project is essential to overcome the natural risk-aversion of the power generation industry and project financing community. The 10 MWe coal-fired sCO 2 pilot power plant proposed herein will reduce the technical and economic risk of this transformational technology, enabling commercial deployment at the conclusion of the project. For the second phase of this project, Echogen lead a team that completed and refined the pilot system conceptual system and key component designs resulting in the completion of a front-end-engineering-design (FEED) study, completed the NEPA review process, completed the permitting process for construction and operation, refined the techno-economic analysis of the proposed system at commercial scale and received commitments for Phase III cost share. The end result of the program will be to demonstrate the technical and economic superiority of the sCO 2 power cycle for coal-fired operation. Major risk elements will have been retired with sufficient operation at high power to enable the power generation industry to move forward with the first commercial deployment of this transformational system.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1999

The SOHO-Stellar Connection

I discusses practical aspects of the so-called "solar-stellar" connection; namely, the fundamental principles, the tools at the disposal of the stellar astronomer, and a few recent examples of the connection in action. I provide an overall evolutionary context for coronal activity, calling attention to the very different circumstances of low mass main sequence stars like the Sun, which are active mainly early in their lives; compared with more massive stars, whose coronally active phase occurs near the end of their lives, during their brief incursion into the cool half of the Hertzsprung-Russell diagram as yellow and then red giants. On the instrumental slide, I concentrate primarily on spectroscopy, in the ultraviolet and X-ray bands where coronae leave their most obvious signatures. I present an early glimpse of the type of moderate resolution spectra we can expect from the recently launched Chandra observatory, and contemporaneous HST STIS high-resolution UV measurements of the CXO calibration star Capella (alpha Aur; G8 III + G1 III). I compare STIS spectra of solar-type dwarfs-zeta Dor (F7 V), an active coronal source; and alpha Cen A (G2 V), a near twin of the Sun-to a trace obtained with the SOHO SUMER imaging UV spectrometer. I also compare STIS line profiles of the active coronal dwarf to the corresponding features in the mixed-activity "hybrid-chromosphere" bright giant alpha TrA (K2 II) and the archetype "noncoronal" red giant Arcturus (alpha Boo; K2 III). The latter shows dramatic evidence for a "cool absorber" in its outer atmosphere that is extinguishing the "hot lines" (like Si IV lambda1393 and N V lambda1238) below about 1500 A, probably through absorption in the Si I lambda1525 and C I lambda1240 photoionization continua. The disappearance of coronae across the "Linsky-Haisch" dividing line near K1 III thus apparently is promoted by a dramatic overturning in the outer atmospheric structure, namely the coronae of the red giants seem to lie beneath their extended chromospheres, rather than outside as in the Sun. I then discuss an intriguing long-slit STIS low-resolution observation of an X-ray active late-A dwarf in the nearby Hyades cluster: the spatially resolved UV spectroscopy clearly shows that a previously unseen close companion (a dKe or dMe) likely is responsible for the coronal activity, rather than some unexplained departure of the A dwarf from its expected state of X-ray dormancy. Finally, I describe early results from a joint observing campaign involving SOHO SUMER, TRACE, and the Kitt Peak Infrared Imaging Spectrometer, conducted May 1999, to explore the dynamics of the quiet solar atmosphere through the key "magnetic transition zone" that separates the kinetically dominated deep photosphere from the magnetically dominated coronal regime. Linking spatially and temporally resolved solar properties to aspects of the averaged lineshapes (for example: widths, asymmetries, intensity ratios, and Doppler shifts) is a crucial step in carrying any physical wisdom we develop in the solar setting to the distant stars.

Ayres, Thomas R.↗
DOE OSTI2023

Development of an All-Aqueous Thermally Regenerative Redox Flow Battery to Support Fossil Fuel Assets

Low-temperature thermal energy, a largely untapped resource, holds significant promise for large-scale electrical power generation globally. Various stationary sources, including industrial entities and thermal power plants, emit considerable low-temperature heat that currently remains unutilized. This energy is often overlooked because its low temperature renders it unsuitable for efficient power generation using conventional methods. However, current research is exploring diverse technologies capable of converting low-temperature heat into grid-scale power, aiming to enhance grid efficiency, further decarbonization initiatives, and facilitate a shift toward more decentralized power systems. One such innovative technology is the thermally regenerative battery (TRB), noted for its high power and energy densities compared to similar technologies, positioning it as a potential game-changer in power generation. TRBs integrate two scalable and well-established unit operations: a redox flow battery and a distillation column. This integration suggests that once an effective TRB chemistry is established, the pathway to commercialization could be expedited. The copper-based thermally regenerative ammonia battery (Cu aq -TRAB) stands out as the first TRB that circumvents electrodeposition/dissolution reactions, stabilizing Cu(I) and Cu(II) within the electrolyte and maintaining stability of all electroactive species in an aqueous phase. This stabilization has led to improvements in coulombic efficiency, open circuit potential, and copper solubility, thereby enhancing power density, energy density, and overall energy efficiency. Preliminary tests were conducted to determine the effects of various electrolyte species on the performance metrics of the battery, both theoretically and experimentally. These tests revealed that the solubility of copper in the Cu aq -TRAB electrolyte was constrained by the Cu(I)-NH 3 complex. Adjusting the background electrolyte to 5 M NH4Br and the ligand concentration to 4 M NH 3 enabled the copper concentration to reach a maximum of 0.6 M. This modification led to an estimated theoretical maximum energy density of 9.5 Wh L -1 for the Cu aq -TRAB. Additionally, full cell testing indicated a tradeoff between peak power and energy density with varying copper and ammonia concentrations. Increasing the applied current density during discharge linearly raised the average power output, with a minimal reduction in energy density due to a balance between higher ohmic overpotential and reduced time for undesirable ammonia crossover. Furthermore, a comprehensive numerical sensitivity analysis of the complete Cu aq -TRAB system was performed. This analysis aimed to assess how the battery and the distillation column responded to changes in system input parameters, providing insights into optimal research directions for enhancing system performance. The analysis revealed that at room temperature, battery power was significantly more sensitive to ohmic losses than to mass transfer, with reaction rates having minimal impact. This trend continued even at higher temperatures. Also, the thermal energy required for ammonia separation was studied, showing that increased temperatures generally reduced energy requirements, except in low-pressure scenarios above 65 °C. An investigation into membrane performance in the Cu aq -TRAB was undertaken, given the significant impact of ammonia transport control and ohmic losses on system performance. Various membranes were evaluated to identify key performance metrics. Among the tested membranes, Selemion CMVN exhibited the highest performance, with a peak power density of 84 mW cm -2 and average values of 26 ± 6.8 mW cm -2 for power density and 2.9 Wh L -1 for energy density at an applied current density of 50 mA cm -2 . An economic assessment indicated a levelized cost of storage at $410 per MWh under optimal conditions, highlighting the commercial potential of the Cu aq -TRAB when utilizing cost-effective, readily available materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Assessing the Role of Interfacial and Metal Sites in Pt/TiO2-Catalyzed Acetic Acid Hydrodeoxygenation

Thermochemical conversion of biomass to produce drop-in quality biofuels typically involves hydrodeoxygenation (HDO) steps following catalytic fast pyrolysis (CFP) to remove excess oxygen and create a more-stable bio-oil product. HDO reactions are performed by co-feeding the CFP vapor-phase product and H2 gas over a bi-functional catalyst. Noble-metal catalysts supported on reducible metal oxides (e.g., Pt/TiO2) are active and selective toward these HDO reactions. Griffin and co-workers showed that Pt/TiO2 catalysts promote the desired deoxygenation steps for m-cresol HDO while mitigating undesired C-C bond-breaking steps that reduce the overall value/energy density of the biofuel. Such model-compound studies to inform the design of improved catalysts for HDO chemistry are necessary to improve the overall process economics/efficiencies for biofuels production. One important class of bio-derived compounds that has not been studied extensively with respect to HDO chemistry, particularly at the atomic level, is carboxylic acids. Past experimental work indicates that Pt/C and Pt/TiO2 catalysts are selective toward C-C and C-O bond-dissociation products for acetic acid HDO, respectively. To understand the role of Pt/TiO2 active sites in this observed change in selectivity and guide catalyst development, the work in this presentation focuses on modeling the role of Pt-metal and Pt-TiO2-interfacial sites in promoting key C-C bond-breaking, C-O bond-breaking, and (de)hydrogenation steps in acetic acid HDO. Density functional theory (DFT) calculations were performed using the Vienna Ab initio Simulation Package (VASP). The exchange-correlation functional was approximated by the Perdew-Burke-Ernzerhof functional. Dispersion interactions were captured using the D3 method. Projector augmented-wave potentials described electron-ion interactions, and electron wavefunctions were expanded via a planewave basis with an energy cutoff of 500 eV. Activation barriers were calculated using the climbing image nudged elastic band method. Results and Discussion: To discern the role of Pt-metal and Pt-TiO2 interface sites in promoting acetic acid HDO chemistry, Pt(111) slab and anatase TiO2(101)-supported Pt-nanowire (PtNW/OH-TiO2) surface models were constructed, respectively. Because H2 is co-fed in HDO reactions, the anatase support was terminated with OH groups. Interfacial vacancies have been shown to facilitate Ru/TiO2-catalyzed phenol HDO; thus, an interfacial model with an OH vacancy was also considered (PtNW/OHv-TiO2). Pt-TiO2-interface sites stabilize adsorption of all studied acetic acid HDO surface intermediates relative to terrace Pt-metal sites, particularly when an interfacial-OH vacancy is present. Oxygenated species prefer to bind at the OH vacancy through the O atom, suggesting a preference for C-O over C-C bond cleavage at these sites. This hypothesis is supported by net-negative and net-positive average shifts in the reaction energy and activation energy barriers for C-O and C-C bond-breaking steps, respectively, at Pt-TiO2-interface sites relative to Pt-metal sites. Using the calculated energetics, the predicted minimum-energy pathway was determined for each surface. Pt(111) is predicted to follow decarboxylation, producing undesired methane and carbon dioxide. Conversely, PtNW/OH-TiO2 and PtNW/OHv-TiO2 are both predicted to produce desired acetaldehyde and ethane. The interfacial vacancy may also play a key role in facilitating the first C-O bond-breaking step in acetic acid HDO, lowering the barrier by 0.6 eV relative to the defect-free interface model. These results demonstrate the critical role of the Pt-TiO2 interface in the shift in acetic acid HDO selectivity experimentally observed on Pt/C and Pt/TiO2 catalysts. The results herein demonstrate the important role of the Pt-TiO2 interface and interfacial oxygen vacancies in improving the carbon efficiency for HDO reactions in CFP upgrading.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗