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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling the Progenitor Stars of Observed Type IIP Supernovae

Abstract Type IIP supernovae (SNe IIP) are thought to originate from the explosion of massive stars >10M ⊙ . Their luminosity is primarily powered by the explosion energy and the radioactive decay energy of 56 Co, with the photosphere location regulated by hydrogen recombination. However, the physical connections between SNe IIP and their progenitor stars remain unclear. This paper presents a comprehensive study of SNe IIP and their progenitor stars by using the one-dimensional stellar evolution code,MESA. Our model grids consider the effects of stellar metallicity, mass, and rotation in the evolution of massive stars, as well as the explosion energy and 56 Ni production in modeling supernovae. To elucidate the observed SNe IIP and their origins, we compare their light curves (LCs) with our models. Furthermore, we investigate the impact of stellar parameters on LCs by considering stellar mass, metallicity, rotation, explosion energy, and 56 Ni production. We find that more massive stars exhibit longer plateaus due to increased photon diffusion time caused by massive ejecta. Higher metallicity leads to increased opacity and mass loss of progenitor stars. Rapid rotation affects internal stellar structures, enhancing convective mixing and mass loss, potentially affecting the plateau’s brightness and duration. Higher explosion energy results in brighter but shorter plateaus due to faster-moving ejecta. 56 Ni mass affects late-time luminosity and plateau duration, with larger masses leading to slower declines.

Astronomy & Astrophysics↗
DOE OSTI2020

Pump-and-Treat Impacts on Aquifer Conditions and the Development of System-Wide Performance Strategies - 20377

The pump-and-treat (P and T) system on the Hanford Site's Central Plateau currently treats multiple contaminants within the 200-ZP-1 operable unit, including nitrate through its biological treatment processes. Although it was initially designed to support the 200-ZP-1 Remedial Action Objectives, the P and T system has evolved in use to address contaminants from other regions of the aquifer as well. The P and T influents are biogeochemically distinct, treating groundwaters with elevated concentrations of cyanide, uranium, technetium-99, and nitrate. Given the varying geochemical signatures from current and potential future sources, operational conditions, and amendments considered for treatment processes, there is a need to identify the impacts that the P and T effluent has on the aquifer, and how the aquifer affects P and T performance. To this end, laboratory efforts have focused on characterizing P and T effluent and its biogeochemical effects on the sediments through a series repacked column experiments. The P and T effluent is rich in particulate matter. A systematic inspection of this particulate matter in the P and T effluent showed significant levels of manganese/iron oxides, calcite crystals, relatively large organic matter molecules, and biomass. Therefore, the column experiments were designed and conducted for four different treatment systems: artificial groundwater, filtered P and T effluent, non-filtered P and T effluent, and chlorinated P and T effluent. Different levels of microbiologically- and geochemically-induced changes in the columns occurred and modified the flow systems. For example, physical filtration occurred in the sediments where the particulate material had accumulated in the top portion of the column. Reactive transport modeling of the laboratory experiments is being carried out so that the reaction network can be extrapolated to the field scale. These simulations will provide predictive evaluations of system performance based on P and T operational changes and aquifer mass loading and capacity estimates. This information can be used to address combined subsurface and operational challenges, such as the need for frequent well redevelopment to maintain injection capacity. This information also provides the technical basis for decisions related to the P and T system operations that support remedy optimization efforts and short- and long-term remedy decisions related to multiple operable units on the Hanford Site Central Plateau. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

A Preliminary Radiological Risk Assessment Model for Disposition of Remote-Handled Transuranic Wastes at Los Alamos National Laboratory Area G - 20116

The U.S. Department of Energy (DOE) operates a low-level radioactive waste (LLW) disposal site at Material Disposal Area G, in Los Alamos, New Mexico, USA. Area G has been the primary LLW disposal site for Los Alamos National Laboratory (LANL) since the 1960's. In addition to LLW, Area G is host to a variety of other wastes, the disposition of which must be determined before closure of the site. A probabilistic Radiological Risk Assessment (RRA) for Area G is used in order to support decision making regarding some wastes that are not addressed in the extant Area G Performance Assessment (PA) and Composite Analysis (CA). Between 1979 and 1987, 33 special shafts were augered into the Bandelier Tuff at Area G. This volcanic tuff is present across Pajarito Plateau on the eastern slopes of the Jemez Mountains, and varies widely in its consistency, from weakly indurated non-welded layers to welded layers that uphold the mesa cliffs of the Plateau. These mesas are home to LANL, Area G, and the townsites of Los Alamos and White Rock, with residences about 1400 m from Area G. The 33 Shafts were lined with steel casing, and contain remote-handled (RH) transuranic wastes (TRU) resulting from experiments and analysis performed in special glove boxes at the Chemistry and Metallurgy Research (CMR) facility at LANL. Some of these wastes originated as used nuclear fuel. The purpose of the Area G RRA is to evaluate the potential future risk to humans and the environment from the RH TRU in the 33 Shafts in the context of the risk associated with the surrounding wastes at Area G. The analysis is responsive to expectations outlined in DOE Order 458.1, Radiation Protection of the Public and the Environment, and is informed by the Manual and Guidance accompanying DOE O 435.1, Radioactive Waste Management. Because the waste meets the definition of TRU, the regulatory context necessarily takes into consideration the regulation governing the disposal of TRU from the U.S. Environmental Protection Agency (EPA): 40 CFR 191, Environmental Radiation Protection Standards for Management and Disposal of Spent Nuclear Fuel, High-Level and Transuranic Radioactive Wastes. Given the broader regulatory context for the RRA, the analysis is subject to different assumptions from those made in the existing DOE O 435.1 PA and CA, such as allowing for future occupation of the site. The analysis begins with a comprehensive evaluation of features, events, processes, and exposure scenarios (FEPS) for Area G and the wastes it contains. These FEPSs are screened to eliminate from further consideration those of extremely low probability and/or consequence, and a conceptual site model (CSM) is subsequently developed. The scope and structure of the Area G RRA Model is informed by this CSM, and the Area G RRA Model is developed using the GoldSim systems analysis modeling platform. This paper presents the initial version of a defensible, transparent, and reasonably realistic model, which is based on the state of knowledge of the wastes, the site, and the FEPSs that govern contaminant transport from wastes into the environment and subsequent exposures to humans and other biota. Probabilistic model input distributions represent uncertainties inherent in the real and modeled systems. The results of the Area G RRA Model inform decisions regarding the disposition of the RH TRU in the 33 Shafts. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Results of a Soil Flushing Treatability Test for Hanford Site Hexavalent Chromium Removal - 20446

U.S. Department of Energy contractor CH2M Hill Plateau Remediation Company has made significant progress remediating hexavalent chromium in groundwater near the Columbia River through the operation of pump and treat facilities and source removal activities. To mitigate risks associated with hexavalent chromium contamination, which was identified in a CERCLA interim action record of decision as the primary groundwater contaminant of concern for the 100-KR-4 Operable Unit from discharging to the Columbia River, three ion-exchange pump and treat systems were installed between 1997 and 2009. Between 2010 and 2016, operation of the K West pump and treat system, located near the former 105K West plutonium production reactor, reduced concentrations below the groundwater remediation target for hexavalent chromium. In 2016, a rebound study was performed to evaluate the effectiveness of the pump and treat remedy and assess the potential for any residual hexavalent chromium sources continuing to contribute to groundwater contamination. As a result of the rebound study, a source of continued groundwater contamination was identified. To address this condition, a soil flushing treatability test was written and approved by the U.S. Department of Energy and the U.S. Environmental Protection Agency. The test included saturating about a 1-acre area of soil with treated water with the goal of forcing the residual hexavalent chromium to groundwater where existing extraction wells could remove it for treatment, accelerating the cleanup process. In spring and summer 2019, CH2M Hill Plateau Remediation Company installed and began operating a shallow underground leach system to support the treatability test. Preliminary sampling data show the test was effective in removing the residual contamination. Following further evaluation and analysis from the initial test, the process will be considered for implementation elsewhere on the Hanford Site, particularly at locations where there is a known or suspected continuing contamination source in the soil column. The paper will cover the goals of the study, as well as more details about the following: - Overview of pump and treat exit strategy (using U.S. Environmental Protection Agency guidance); - The design and installation of the soil flushing technology in the 100-K Area; - The testing process and results of sampling data; - Post-study evaluation and potential for implementation in other locations at the Hanford Site. Innovative solutions for cleanup, such as the soil flushing technology, have resulted in substantial progress in the removal of groundwater contaminants at the Hanford Site, potentially shortening the time frame required to meet cleanup goals and resulting in significant cost savings. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Sludge Removal: Success and Partnership with T Plant - 20510

U.S. DOE contractor CH2M Hill Plateau Remediation Company (CHPRC) has safely and efficiently managed the removal of highly radioactive sludge from the 105-K West Reactor fuel storage basin (105- KW Basin) near the Columbia River. In mid-September 2019, sludge retrieval was completed after 21 storage containers were safely loaded with highly radioactive sludge and transported approximately 13 miles from the 105-KW Basin to T Plant, located in the 200 West Area on the Central Plateau of the Hanford Site. Sludge removal represents the last major source term reduction necessary before the K West Reactor and fuel storage basin can transition to closure activities in preparation for final deactivation and demolition. The technical complexity of the sludge retrieval process, coupled with the challenging physical and radiological characteristics of the waste, necessitated a methodical and deliberate approach using unique design and operational solutions to safely conduct the work. This challenge was further complicated by the need to plan and conduct the work in two separate facilities, each subject to the controls and requirements of its own nuclear facility safety basis. The project overcame these challenges through creating an integrated team that actively engaged, communicated and coordinated each phase of the project to ensure successful completion. This paper will cover how these key elements of the Sludge Removal Project led to its success: - Integrating project planning and management; - Lessons learned from design and construction; - Preparing for a successful campaign (lessons learned from testing and start-up); - Lessons learned from operating in two separate facilities, transporting sludge containers on the Hanford Site and ensuring compliance with a range of regulatory and safety basis requirements. The establishment of an integrated group spanning two facilities and multiple organizations created a team capable of overcoming the challenges necessary to successfully plan and execute the sludge retrieval mission. Sharing lessons learned from this successful project can enhance the ability of teams across the DOE complex to successfully plan and execute complex projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Satellite Metallicity Enhancement I: Suppressed Star Formation, Stellar Mass Loss, and Enriched Inflow of DESI and EAGLE Galaxies around Massive Clusters

Environmental effects are a primary driver of elevated gas-phase metallicities in galaxies around massive clusters, but the underlying physical mechanisms for this satellite metallicity enhancement (SME) are still unclear. Using the Dark Energy Spectroscopic Instrument (DESI) Data Release 1, we present the first measurement of the average SME as a function of projected cluster-centric distance. The resulting profile reveals three distinct regimes: a steep decline from the cluster center, a plateau near the cluster boundary, and an extended downturn across several cluster radii. Remarkably, the complex shape and amplitude of this observed SME profile are successfully reproduced in the EAGLE cosmological simulation. Drawing insights from EAGLE, we develop a novel satellite chemical evolution model to decompose the observed SME into physical contributions from suppressed star formation, stellar mass loss, and enriched gas inflow. Our analysis shows that continuous accretion of enriched intracluster medium dominates the SME plateau within the cluster virial radius, while mass loss and quenching jointly drive the rapid metallicity decline in the cluster core. Our method disentangles the impacts of three environmental processes on galactic chemical enrichment in the cosmic web, providing a powerful framework for understanding cluster galaxy evolution with current and future spectroscopic surveys.

Lin, Yuanye [Shanghai Jiao Tong U.; Shanghai Jiaot↗
DOE OSTI2020

Topographic Controls on the Distribution of Summer Monsoon Precipitation over South Asia

In this work, we use a high-resolution (9 km) one-way nested regional climate modeling framework to systematically evaluate individual and aggregate roles of various components of topography in the precipitation distribution during South Asian Summer Monsoon (SASM). While it is not the arrival but the north-northwestward extent of summer monsoon precipitation that is regulated by the presence of elevated surfaces in South Asia, both the thermal and mechanical topographic forcing play a role. Topography not only provides mechanical uplifting and prevents dry air entrainment, it also helps regulate the strength of upper level anticyclone and tropical easterly jet, all of which are necessary to sustain a conducive environment for monsoon precipitation in the South Asian summer. In turn, precipitation feedbacks positively by accelerating the tropospheric diabatic warming through atmospheric latent heating and by maintaining the moisture supply through local recycling. Modifications in the topography, particularly the removal of the Tibetan Plateau, substantially modulates the moist flow in the lower troposphere and the anticyclonic circulation in the upper troposphere to an extent that the northern branch of SASM becomes substantially weaker. These changes give way to negative precipitation anomalies and eventually to an environment where the cycle of feedbacks that runs the process of monsoon progression over land becomes inefficient. The design of topographic modification experiments can influence precipitation response; therefore, we advise caution in the interpretation of these and previously reported results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A numerical study of process complexity in permafrost dominated regions

Numerical modeling of permafrost dynamics requires adequate representation of atmospheric and surface processes, a reasonable parameter estimation strategy, and site-specific model development. The three main research objectives of the study are: (i) to propose a novel methodology that determines the required level of surface process complexity of permafrost models by conducting parameter sensitivity and calibration, (ii) to design and compare three numerical models of increasing surface process complexity, and (iii) to calibrate and validate the numerical models at the Yakou catchment on the Qinghai-Tibet Plateau as an exemplary study site. The calibration was carried out by coupling the Advanced Terrestrial Simulator (numerical model) and PEST (calibration tool). Simulation results showed that (i) A simple numerical model that considers only subsurface processes can simulate active layer development with the same accuracy as other more complex models that include surface processes. (ii) Peat and mineral soil layer permeability, Van Genuchten alpha, and porosity are highly sensitive. (iii) Liquid precipitation aids in increasing the rate of permafrost degradation. (iv) Deposition of snow insulated the subsurface during the thaw initiation period. We have developed and released an integrated code that couples the numerical software ATS to the calibration software PEST. The numerical model can be further used to determine the impacts of climate change on permafrost degradation.

Calibration↗
DOE OSTI2022

Detection of surface water temperature variations of Mongolian lakes benefiting from the spatially and temporally gap-filled MODIS data

Lakes provide critical water resources for human activities and ecosystems, particularly in the Mongolian Plateau (MP), which is characterized by a dry climate and a harsh environment. As a region that is sensitive to anthropogenic warming, tracking lake surface water temperature (LSWT) changes in Mongolian lakes is crucial for understanding the consequences of a warming climate on lake ecosystems. However, the long-term monitoring of LSWT is restricted by the spatiotemporal gaps in the raw imagery of remote sensing-based land surface temperature (LST), e.g., the commonly used Moderate Resolution Imaging Spectroradiometer (MODIS) LST products. This study applied an improved gap-filling method by utilizing the discrete cosine transform-based penalized least squares (DCT-PLS) strategy in the spatial domain combined with the linear interpolation (LI) algorithm in the temporal domain. The method was applied to fill gaps in the LSWT imagery of 12 representative lakes across MP. The randomly sampled high-quality MODIS LSWT values in the spatial and temporal domains were excavated as false data gaps and considered “virtual true” validation datasets. The spatial validation results showed that the estimated LSWT for all the lake cases were comparable with the “virtual true” LSWT values, with the average values of the coefficient of determination, mean absolute error, mean square error, and root mean square error being 0.98, 0.38 °C, 0.45 °C, and 0.59 °C, respectively. Meanwhile, the error of nighttime LSWT results was relatively lower than that of daytime LSWT. For temporal interpolation validation, the LI algorithm exhibited relatively better performance and could more objectively indicate the variation in LSWT. Benefiting from the spatially and temporally well-constrained data, we analyzed the interannual and intra-annual change characteristics of the LSWTs of the 12 lakes. The long-term variations of annual and seasonal mean LSWTs in the 12 selected lakes exhibited no evident trends in 2000–2020, while presented apparent interannual fluctuations. The slight changes in the average LSWTs of the 12 selected lakes were in excellent synchronization with the surrounding LST derived from the reanalysis datasets, confirming the widely reported phenomenon of “global warming hiatus” that occurred in the early 21st century. This study improves the understanding of the LSWT variations in Mongolian lakes in response to global climate change. It has the potential to provide an effective approach for monitoring LSWT changes in other large-scale studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Unconventional magnetic oscillations in a kagome Mott insulator

In metals, electrons in a magnetic field undergo cyclotron motion, leading to oscillations in physical properties called quantum oscillations. This phenomenon has never been seen in a robust insulator because there are no mobile electrons. We report an exception to this rule. We study a Mott insulator on a kagome lattice which does not order magnetically down to milli-Kelvin temperatures despite antiferromagnetic interactions. We observe a plateau at magnetization equal to $\frac{1}{9}$ Bohr magneton per magnetic ion, accompanied by oscillations in the magnetic torque, reminiscent of quantum oscillations in metals. The temperature dependence obeys Fermi distribution. These phenomena are consistent with a quantum spin liquid state whose excitations are fermionic spinons with a Dirac-like spectrum coupled to an emergent gauge field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulation of DIII-D disruption with argon pellet injection and runaway electron beam

Abstract The next generation of large tokamaks, including ITER, will be equipped with a disruption mitigation system (DMS) that can be activated if a disruption is deemed to be imminent. Introducing impurities by pellet (large or shattered) or massive gas injection has been shown to be an effective mitigation mechanism on many tokamaks. The goal of the mitigation is to lessen the thermal and electromagnetic loads from the disruption without generating enough high-energy (runaway) electrons to damage the device. Variations of this mitigation process with impurity injection are presently being tested on many experiments. We have modeled one such impurity injection experiment on DIII-D using the M3D-C1 nonlinear 3D extended MHD code (Jardin et al 2012 Comput. Sci. Discovery 6 014002), The model includes an argon large pellet injection and ablation model, impurity ionization, recombination, and radiation, and runaway electron formation and subsequent evolution, including both Dreicer and avalanche sources. We obtain reasonable agreement with the experimental results for the timescale of the thermal and current quench and for the magnitude of the runaway electron plateau formed during the mitigation. This is the first 3D full MHD simulation with pellets and REs to simulate the disruption process and it also provides a partial validation of the M3D-C1 DMS model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Minimum stabilizing energy release for mixing processes

Diffusive operations, which mix the populations of different elements of phase space, can irreversibly transform a given initial state into any of a spectrum of different states from which no further energy can be extracted through diffusive operations. We call these ground states. Here, the lower bound of accessible ground-state energies represents the maximal possible release of energy. This lower bound, sometimes called the diffusively accessible free energy, is of interest in theories of instabilities and wave-particle interactions. On the other hand, the upper bound of accessible ground-state energies has escaped identification as a problem of interest. Yet, as demonstrated here, in the case of a continuous system, it is precisely this upper bound that corresponds to the paradigmatic “quasilinear plateau” ground state of the bump-on-tail distribution. Although for general discrete systems the complexity of calculating the upper bound grows rapidly with the number of states, using techniques adapted from treatments of the lower bound, the upper bound can in fact be computed directly for the three-state discrete system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Topological surface states of semimetal TaSb 2

Topological surface states, protected by the global symmetry of the materials, are the keys to understanding various novel electrical, magnetic, and optical properties. TaSb 2 is a newly discovered topological material with unique transport phenomena, including negative magnetoresistance and resistivity plateau, whose microscopic understanding is yet to be reached. In this study, we investigate the electronic band structure of TaSb 2 using angle-resolved photoemission spectroscopy and density functional theory. Our analyses reveal distinct bulk and surface states in TaSb 2 , providing direct evidence of its topological nature. Notably, surface states predominate the electronic contribution near the Fermi level, while bulk bands are mostly located at higher binding energies. Our study underlines the importance of systematic investigations into the electronic structures of topological materials, offering insights into their fundamental properties and potential applications in future technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Verification of Maximal Oxygen Uptake in Active Military Personnel During Treadmill Running

Figueiredo, PS, Looney, DP, Pryor, JL, Doughty, EM, McClung, HL, Vangala, SV, Santee, WR, Beidleman, BA, and Potter, AW. Verification of maximal oxygen uptake in active military personnel during treadmill running. J Strength Cond Res 36(4): 1053–1058, 2022—It is unclear whether verification tests are required to confirm “true” maximal oxygen uptake ($\dot{V}_{o2}$max) in modern warfighter populations. Our study investigated the prevalence of $\dot{V}_{o2}$max attainment in U.S. Army soldiers performing a traditional incremental running test. In addition, we examined the utility of supramaximal verification testing as well as repeated trials for familiarization for accurate $\dot{V}_{o2}$max assessment. Sixteen U.S. Army soldiers (1 woman, 15men; age, 21±2 years; height, 1.73±0.06m; body mass, 71.6±10.1 kg) completed 2 laboratory visits, each with an incremental running test (modified Astrand protocol) and a verification test (110% maximal incremental test speed) on a motorized treadmill. We evaluated $\dot{V}_{o2}$max attainment during incremental testing by testing for the definitive $\dot{V}_{o2}$ plateau using a linear least-squares regression approach. Peak oxygen uptake ($\dot{V}_{o2}$peak) was considered statistically equivalent between tests if the 90% confidence interval around the mean difference was within 62.1 ml·kg -1 ·min -1 . Oxygen uptake plateaus were identified in 14 of 16 volunteers for visit 1 (87.5%) and all 16 volunteers for visit 2 (100%). Peak oxygen uptake was not statistically equivalent, apparent from the mean difference in $\dot{V}_{o2}$peak measures between the incremental test and verification test on visit 1 (2.3 ml·kg -1 ·min -1 , [1.3–3.2]) or visit 2 (1.1 ml·kg -1 ·min -1 [0.2–2.1]). Interestingly, $\dot{V}_{o2}$peak was equivalent, apparent from the mean difference in $\dot{V}_{o2}$peak measures between visits for the incremental tests (0.0ml·kg -1 ·min -1 [-0.8to 0.9]) but not the verification tests (-1.2 ml·kg -1 ·min -1 [-2.2 to -0.2]). Modern U.S. Army soldiers can attain $\dot{V}_{o2}$max by performing a modified Astrand treadmill running test. Additional familiarization and verification tests for confirming $\dot{V}_{o2}$max in healthy active military personnel may be unnecessary.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Self-Intercalation Tunable Interlayer Exchange Coupling in a Synthetic van der Waals Antiferromagnet

One of the most promising avenues in 2D materials research is the synthesis of antiferromagnets employing 2D van der Waals (vdW) magnets. However, it has proven challenging, due in part to the complicated fabrication process and undesired adsorbates as well as the significantly deteriorated ferromagnetism at atomic layers. Here, the engineering of the antiferromagnetic (AFM) interlayer exchange coupling between atomically thin yet ferromagnetic CrTe 2 layers in an ultra-high vacuum-free 2D magnetic crystal, Cr 5 Te 8 is reported. By self-introducing interstitial Cr atoms in the vdW gaps, the emergent AFM ordering and the resultant giant magnetoresistance effect are induced. A large negative magnetoresistance (10%) with a plateau-like feature is revealed, which is consistent with the AFM interlayer coupling between the adjacent CrTe 2 main layers in a temperature window of 30 K below the Néel temperature. Notably, the AFM state has a relatively weak interlayer exchange coupling, allowing a switching between the interlayer AFM and ferromagnetic states at moderate magnetic fields. Here this work represents a new route to engineering low-power devices that underpin the emerging spintronic technologies, and an ideal laboratory to study 2D magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Disorder Dynamics in Battery Nanoparticles During Phase Transitions Revealed by Operando Single-Particle Diffraction

Structural and ion-ordering phase transitions limit the viability of sodium-ion intercalation materials in grid scale battery storage by reducing their lifetime. However, the combination of phenomena in nanoparticulate electrodes creates complex behavior that is difficult to investigate, especially on the single-nanoparticle scale under operating conditions. In this work, operando single-particle X-ray diffraction (oSP-XRD) is used to observe single-particle rotation, interlayer spacing, and layer misorientation in a functional sodium-ion battery. oSP-XRD is applied to Na 2/3 [Ni 1/3 Mn 2/3 ]O 2 , an archetypal P2-type sodium-ion-positive electrode material with the notorious P2-O2 phase transition induced by sodium (de)intercalation. Here, it is found that during sodium extraction, the misorientation of crystalline layers inside individual particles increases before the layers suddenly align just prior to the P2-O2 transition. The increase in the long-range order coincides with an additional voltage plateau signifying a phase transition prior to the P2-O2 transition. To explain the layer alignment, a model for the phase evolution is proposed that includes a transition from localized to correlated Jahn-Teller distortions. The model is anticipated to guide further characterization and engineering of sodium-ion intercalation materials with P2-O2 type transitions. oSP-XRD, therefore, opens a powerful avenue for revealing complex phase behavior in heterogeneous nanoparticulate systems.

25 ENERGY STORAGE↗
DOE OSTI2023

Revealing the Sodium Storage Mechanisms in Hard Carbon Pores

Abstract Hard carbon (HC) is the most promising anode for the commercialization of sodium‐ion batteries (NIBs); however, a general mechanism for sodium storage in HC remains unclear, obstructing the development of highly efficient anodes for NIBs. To elucidate the mechanism of sodium storage in the pores, operando synchrotron small‐angle X‐ray scattering, wide‐angle X‐ray scattering, X‐ray absorption near edge structure, Raman spectroscopy, and galvanostatic measurements are combined. The multimodal approach provides mechanistic insights into the sodium pore‐filling process for different HC microstructures including the pore sizes that are preferentially filled, the extent to which different pore sizes are filled, and how the defect concentration influences pore filling. It is observed that sodium in the larger pores has an increased pseudo‐metallic sodium character consistent with larger sodium clusters. Furthermore, it is shown that the HCs prepared at higher pyrolysis temperatures have a larger capacity from sodium stored in the pores and that sodium intercalation between graphene layers occurs simultaneously with the pore filling in the plateau region. Opportunities are outlined to improve the performance of HC anodes by fully utilizing the pores for sodium storage, helping to pave the way for the commercialization of sodium ion batteries.

Kitsu Iglesias, Luis↗
DOE OSTI2020

Loamy sand soil approaches organic carbon saturation after 37 years of conservation tillage

Conservation tillage is reported to increase soil organic carbon (SOC) and total nitrogen (TN) contents, but long-term (>30 yr) field results quantifying the responses in Coastal Plain Ultisols are sparse. The distribution, accumulation, and topsoil storage of SOC and TN after 37 yr of crop production using conventional (CvT) or conservation tillage (CnT) on a Norfolk loamy sand (fine-loamy, kaolinitic, thermic, Typic Kandiudults) were quantified. Soil samples were collected annually from the 0-5-, 5-10-, and 10-15-cm depth increments beneath corn (Zea mays L.), soybean [Glycine max (L.) Merr.], and cotton (Gossypium hirsutum L.) crops. Overall, SOC and TN accumulation in the 0-5-cm depth were highest for Norfolk soil under CnT. Focusing on total long-term changes for the 0-15-cm sampling depth beneath various corn crops shows that CnT and CvT sequestered 24.7 and 21.4 Mg C ha -1 , respectively. Between 1978 and 2016, there was a highly significant (P < .0001) exponential increase in SOC within the top 5-cm soil depth. However, the exponential curves began to plateau suggesting the Norfolk topsoil was approaching its organic carbon (OC) storage capacity. These field measurements strongly indicate that additional topsoil SOC increases with current tillage and crop management practices are limited.

54 ENVIRONMENTAL SCIENCES↗