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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
DOE OSTI2023

Li–Mn–O Li-rich cation disordered rock-salt cathode materials do not undergo reversible oxygen redox during cycling

An in-depth study of “Li 4 Mn 2 O 5 ”, a nanocomposite of Li 2 O and Li 4-x Mn 2 O 5 with a disordered rock salt structure (LMO), was conducted to determine the origins of the observed anomalously high charge and discharge capacity in lithium cells, which can exceed 350 mA h g -1 . Using soft and hard X-ray absorption spectroscopy (XAS), mapping of resonant inelastic X-ray scattering (mRIXS), and X-ray Raman spectroscopy (XRS), it was determined that electrochemical decomposition of Li 2 O upon charge and reduction of Mn to below 3+ during discharge is responsible for the capacities that are observed, with no evidence of contributions from reversible oxygen redox. Here, the over-reduction is exacerbated when charging limits of 4.5–4.8 V are used due to side reactions between electrolytic solution and the highly oxidized active material. These side reactions result in dissolution of Mn at room temperature and release of oxygen and other gases during initial cycles, which, in turn, cause rapid capacity fading. This is accompanied by evolution of the voltage profile upon cycling towards one that resembles that of manganese oxide spinels. The cycling behavior can be improved somewhat by reducing the upper voltage limit, although this results in a diminishment of the discharge capacities below 200 mA h g -1 . By adding various amounts of spinel LiMn 2 O 4 during synthesis, it was possible to produce LMOs with rock salt structures having significantly improved cycling behavior but still having capacities in excess of 250 mA h g -1 . An optimized modified material also exhibits better rate capability and much less gas evolution during initial cycles than the unmodified LMO. Interestingly, as-made modified materials generally exhibited lower than expected average Mn oxidation states attributable to oxygen loss during the synthesis process, as well as higher capacities than expected based on their manganese contents. The oxygen loss during processing may reduce the activity of the remaining oxygen and account for the lower reactivity of the spinel-modified material.

25 ENERGY STORAGE↗
DOE OSTI2025

Aging matrix visualizes complexity of battery aging across hundreds of cycling protocols

To reliably deploy lithium-ion batteries, a fundamental understanding of cycling aging behavior is critical. Battery aging consists of complex and highly coupled phenomena, making it challenging to develop a holistic interpretation. In this work, we generate a diverse battery cycling dataset with a broad range of degradation trajectories, consisting of 359 high energy density commercial Li(Ni,Co,Al)O 2 /graphite + SiO x cylindrical 21 700 cells cycled across 207 unique cycling protocols. We consolidate aging via 16 mechanistic state-of-health (SOH) metrics, including cell-level performance metrics, electrode-specific capacities/state-of-charges (SOCs), and aging trajectory metrics. We develop a framework using interpretable machine learning and explainable features to generate an aging matrix that visually deconvolutes the complex battery degradation behavior. This generalizable data-driven mechanistic framework simplifies the complex interplay between cycling conditions, degradation modes, and SOH, acting as a hypothesis-generation tool to aid battery users in identifying key degradation regimes for further study and experimentation.

25 ENERGY STORAGE↗
DOE OSTI2020

Biomimetic composite architecture achieves ultrahigh rate capability and cycling life of sodium ion battery cathodes

Sodium ion batteries are an emerging candidate to replace lithium ion batteries in large-scale electrical energy storage systems due to the abundance and widespread distribution of sodium. Despite the growing interest, the development of high-performance sodium cathode materials remains a challenge. In particular, polyanionic compounds are considered as a strong cathode candidate owing to their better cycling stability, a flatter voltage profile, and stronger thermal stability compared to other cathode materials. Here, we report the rational design of a biomimetic bone-inspired polyanionic Na3V2(PO4)3-reduced graphene oxide composite (BI-NVP) cathode that achieves ultrahigh rate charging and ultralong cycling life in a sodium ion battery. At a charging rate of 1 C, BI-NVP delivers 97% of its theoretical capacity and is able to retain a voltage plateau even at the ultra-high rate of 200 C. It also shows long cycling life with capacity retention of 91% after 10 000 cycles at 50 C. The sodium ion battery cells with a BI-NVP cathode and Na metal anode were able to deliver a maximum specific energy of 350 W h kg−1 and maximum specific power of 154 kW kg−1. In situ and postmortem analyses of cycled BI-NVP (including by Raman and XRD spectra) HRTEM, and STEM-EELS, indicate highly reversible dilation–contraction, negligible electrode pulverization, and a stable NVP-reduced graphene oxide layer interface. The results presented here provide a rational and biomimetic material design for the electrode architecture for ultrahigh power and ultralong cyclability of the sodium ion battery full cells when paired with a sodium metal anode.

25 ENERGY STORAGE↗
DOE OSTI2024

An extreme thermal cycling reliability test of ATLAS ITk Strips barrel modules

At the end of Run 3 of the Large Hadron Collider (LHC), the accelerator complex will be upgraded to the High-Luminosity LHC (HL-LHC) in order to increase the total amount of data provided to its experiments. To cope with the increased rates of data, radiation, and pileup, the ATLAS detector will undergo a substantial upgrade, including a replacement of the Inner Detector with a future Inner Tracker, called the ITk. The ITk will be composed of pixel and strip sub-detectors, where the strips portion will be composed of 17,888 silicon strip detector modules. During the HL-LHC running period, the ITk will be cooled and warmed a number of times from about -35°C to room temperature as part of the operational cycle, including warm-ups during yearly shutdowns. To ensure ITk Strips modules are functional after these expected temperature changes, and to ensure modules are mechanically robust, each module must undergo ten thermal cycles and pass a set of electrical and mechanical criteria before it is placed on a local support structure. This paper describes the thermal cycling Quality Control (QC) procedure, and results from the barrel pre-production phase (about 5% of the production volume). Additionally, in order to assess the headroom of the nominal QC procedure of 10 cycles and to ensure modules don't begin failing soon after, four representative ITk Strips barrel modules were thermally cycled 100 times — this study is also described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Insights on the cycling behavior of a highly-prelithiated silicon–graphite electrode in lithium-ion cells

Nanosized silicon materials are being developed for use in the anodes of high-energy lithium-ion batteries. However, the high surface areas of these materials increase the rate of parasitic reactions in the electrode, which consume cyclable Li + and degrade battery performance. Prelithiation offers a realistic strategy to compensate for this reactivity, by injecting additional charge into the cell to counterbalance the Li + loss. Interestingly, the benefits offered by prelithiation extend beyond its more obvious purpose. Here, by using a reference electrode in NMC532//Si–Gr cells, we show how prelithiation alters the cycling potentials experienced by the Si-containing anode and how that translates into gains in cycle life. The rate of consumption of the prelithiated charge is lower than that expected from the behavior of non-prelithiated cells. Curiously, the Si particles become partially unresponsive during the C/3 cycling apparently because of kinetic constraints. Electrochemical studies on harvested electrodes in half-cells show that capacities are intact after the long-term cycling and that most of the lithium reservoir is still present in the anode. We conclude that the high capacity retention displayed by the prelithiated cells mainly results from a higher participation of graphite particles during the extended electrochemical cycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Advances in understanding the changes of tropical rainfall annual cycle: a review

Abstract Aided by progress in the theoretical understanding, new knowledge on tropical rainfall annual cycle changes under a global warming background has been advanced in the past decade. In this review, we focus on recent advances in understanding the changes of tropical rainfall annual cycle, including its four distinct features: amplitude, spatial pattern shift, phase and wet/dry season length changes. Here, amplitude refers to the local summer-winter rainfall contrast and phase refers to the timing of rainfall annual cycle. In a warming climate, the amplitude is enhanced, more evidently over ocean, while the phase is delayed, mainly over land. The former is explained by the wet-get-wetter mechanism and the latter is explained by the enhanced effective atmospheric heat capacity and increased convective barrier. The phase delay over land has already emerged in the past four decades. The spatial pattern shift under warming is marked by two features: equatorward shift of the ITCZ throughout the year and the land-to-ocean precipitation shift in the rainy season. The former is explained by the upped-ante mechanism and/or related to the enhanced equatorial warming in a warmer world. The latter may be caused by the opposite land and ocean surface temperature annual cycle changes in the tropics. Over tropical rainforest regions such as Amazon and Congo Basin, the dry season has lengthened in the recent decades, but the fundamental reason is still unclear. Despite the notable progress in the research of tropical rainfall annual cycle change, many gaps remain in understanding its mechanisms, quantifying and attributing its historical emergence, narrowing the inter-model uncertainty of its future projections, and evaluating its global impact, motivating future work guided by some directions proposed in this review.

Song, Fengfei (ORCID:0000000230041749)↗
DOE OSTI2024

Triacylglycerol stability limits futile cycles and inhibition of carbon capture in oil-accumulating leaves

Engineering plant vegetative tissue to accumulate triacylglycerols (TAG, e.g. oil) can increase the amount of oil harvested per acre to levels that exceed current oilseed crops. Engineered tobacco (Nicotiana tabacum) lines that accumulate 15% to 30% oil of leaf dry weight resulted in starkly different metabolic phenotypes. In-depth analysis of the leaf lipid accumulation and 14 CO 2 tracking describe metabolic adaptations to the leaf oil engineering. An oil-for-membrane lipid tradeoff in the 15% oil line (referred to as HO) was surprisingly not further exacerbated when lipid production was enhanced to 30% (LEAFY COTYLEDON 2 (LEC2) line). The HO line exhibited a futile cycle that limited TAG yield through exchange with starch, altered carbon flux into various metabolite pools and end products, and suggested interference of the glyoxylate cycle with photorespiration that limited CO 2 assimilation by 50%. In contrast, inclusion of the LEC2 transcription factor in tobacco improved TAG stability, alleviated the TAG-to-starch futile cycle, and recovered CO 2 assimilation and plant growth comparable to wild type but with much higher lipid levels in leaves. Thus, the unstable production of storage reserves and futile cycling limit vegetative oil engineering approaches. The capacity to overcome futile cycles and maintain enhanced stable TAG levels in LEC2 demonstrated the importance of considering unanticipated metabolic adaptations while engineering vegetative oil crops.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Observation of attosecond electron dynamics in the photoelectron momentum distribution of atoms using few-cycle laser pulses

The method of time-resolved measurement with ultrashort laser pulses is vital to the development of attosecond science. Pump-probe measurements using a train of attosecond pulses in combination with a near-infrared (NIR) multicycle driving laser have been successful in capturing the intercycle electron dynamics which repeats every optical cycle and leads to above-threshold ionization (ATI) spectra in the frequency domain. Here in this work, we study the effect of a carrier-envelope phase (CEP) in a few-cycle (< 6 fs) NIR laser pulse on the photoelectron momentum distribution (PMD) of a hydrogen atom and show that interference patterns in a PMD change dramatically with CEPs in the few-cycle regime. When the few-cycle driving laser pulse has a sine shape, the double-slit interference with characteristic modulation of ATI peaks dominates the PMD. On the other hand, when the driving pulse has a cosine shape, the holographical interference featured by a spider-like pattern is isolated. Our results suggest that the CEP-stable few-cycle laser pulses can be used to identify different types of intracycle interference structures in a PMD which reveal the underlying subcycle electron dynamics on an attosecond timescale.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Measurements of Density and Sound Speed in Mixtures Relevant to Supercritical CO2 Cycles

Abstract The objective of this research is to validate properties of mixtures relevant to supercritical carbon dioxide (sCO2) power cycles. Direct-fired sCO2 cycles are a promising technology for the future power generation systems. The working fluid of sCO2 cycles will be near and above critical point of CO2. One of the challenges is that the simulation of mixtures should consider real gas behavior. Expected operating conditions of Allam cycles reach up to 300 bar and 1000 °C. Characterizing the mixtures at the extreme conditions is an important issue in current researches and industrial applications. Thermophysical properties of mixtures may be beyond the valid range of the widely used database such as NIST REFPROP. Experimental data of mixture properties in the literature are limited which is necessary to develop high-fidelity design tools for sCO2 power cycles. We measured the density and sound speed of several multi-component mixtures. A temperature-controlled high-pressure test cell was used for the density measurements. Sound speed was measured by resonant frequency detection using an external speaker and a piezoelectric pressure sensor. Mixtures studied in this work include carbon dioxide, methane, oxygen, and water vapor. Properties of pure CO2 were measured to show the validity of our technique. Compositions were selected to be close to frozen mixtures at the inlet, mid-progress, and exhaust conditions of a model sCO2 combustor in the previous numerical simulation work. Corresponding reaction progress variables (RPV) were RPV = 0, 0.5, and 1. Temperature and pressure conditions of experiments are 310–450 K and 0–150 bar. In our study, density and sound speed from the NIST REFPROP database agree with experimental measurements within the range of our measurement uncertainties.

Energy & Fuels↗
DOE OSTI2021

Investigation of Rapid, Moderate Temperature Change Thermal Cycles of a Micro-Tubular Flame-Assisted Fuel Cell

Despite many efforts and improvements over the last few decades, two of the major challenges facing solid oxide fuel cells (SOFCs) are slow heating rates to operating temperature (typically < 5 °C · min–1) and a limited ability to thermal cycle (<200 cycles). Recently, a novel hybrid setup that combines a fuel-rich combustion reformer with a SOFC was developed and utilized to investigate rapid heating, cooling, and thermal cycling of a micro-tubular SOFC. In this work, 3000 moderate thermal cycles are conducted at a heating rate exceeding 140 °C · min–1 and a cooling rate that exceeded 100 °C · min–1. The open-circuit voltage (OCV) was analyzed over the 150 h test, and a low degradation rate of ~0.0008 V per 100 cycles per fuel cell was observed in the absence of the current collector degradation. Unlike a previous test, which was conducted at lower temperatures, significant degradation of the current collector was observed during this test. Electrochemical impedance spectroscopy shows that degradation in the SOFC was due to increases in ohmic losses, activation losses at the cathode, and increased concentration losses.

Electrochemistry↗
DOE OSTI2021

An In-Depth Analysis of the Transformation of Tin Foil Anodes during Electrochemical Cycling in Lithium-Ion Batteries

Tin foils have an impressive lithium-storage capacity more than triple that of graphite anodes, and their adoption could facilitate a drastic improvement in battery energy density. However, implementation of a dense foil electrode architecture represents a significant departure from the standard blade-cast geometry with a distinct electrochemical environment, and this has led to confusion with regards to the first cycle efficiency of the system. In this work, we investigate the unique behavior of a tin active material in a foil architecture to understand its performance as an anode. We find shallow cycling of the foil results in an irreversible formation (< 40%) due to diffusional trapping, but intermediate and complete utilization allows for a remarkably reversible formation reaction (> 90%). This striking nonlinearity stems from an in situ transformation from bulk metal to porous electrode that occurs during formation cycles and defines electrode-level lithium-transport on subsequent cycles. As a result, an alternative cycling procedure for assessing the stability of foils is proposed to account for this chemomechanical effect.

25 ENERGY STORAGE↗
DOE OSTI2022

Dual Protective Mechanism of AlPO 4 Coating on High-Nickel Cathode Material for High Energy Density and Long Cycle Life Lithium-Ion Batteries

Cathode material with high nickel content is a promising candidate for the future generation of Li-ion batteries (LIBs). However, severe structural degradation during cycling limits its practical use, especially for electric vehicles. Herein, AlPO 4 nanoparticles were synthesized and then coated onto the surface of a high-nickel layer-structured cathode via a dry coating method. The AlPO 4 nanoparticles coating significantly improved the cycling stability from 69.2% to over 80% capacity retention after 140 cycles. Furthermore, the structure and chemical composition of the AlPO 4 -coated cathode was investigated by XRD, SEM, XPS, and STEM. Compared with the non-coated cathode, we revealed a dual protective mechanism for enhanced cycling stability, where Al doping and Li 3 PO 4 coating play synergistic roles in protecting cathode material through long-term cycling. This work demonstrates a facile and environmentally friendly approach toward improving the performance of high-nickel LIB cathodes, which can be easily scaled up for industrial applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Quantifying the Impact of Charge Rate and Number of Cycles on Structural Degeneration of Li-Ion Battery Electrodes

A quantitative link between crack evolution in lithium-ion positive electrodes and the degrading performance on cells is not yet well established nor is any single technique capable of doing so widely available. Here, we demonstrate a widely accessible high-throughput approach to quantifying crack evolution within electrodes. The approach applies super-resolution scanning electron microscopy (SEM) imaging of cross-sectioned NMC532 electrodes, followed by segmentation and quantification of crack features. Crack properties such as crack intensity, crack width and length are quantified as a function of charge rate (1C, 6C, and 9C) and cycle number (25, 225, and 600 cycles). Hundreds of particles are characterized for statistical confidence in the quantitative crack measurements. The data on crack evolution is compared to electrochemical data from full cells and half cells with the NMC532 positive electrodes. We show that while crack evolution strongly correlates with capacity fade in the first 25 cycles, it does not correlate well for the following hundreds of cycles indicating that cracking may not be the dominant cause of capacity fade throughout the cycle-life of cells.

25 ENERGY STORAGE↗
DOE OSTI2023

Atmosphere–Ocean Coupled Energy Budgets of Tropical Convective Discharge–Recharge Cycles

An energy budget combining atmospheric moist static energy (MSE) and upper ocean heat content (OHC) is used to examine the processes impacting day-to-day convective variability in the tropical Indian and western Pacific Oceans. Feedbacks arising from atmospheric and oceanic transport processes, surface fluxes, and radiation drive the cyclical amplification and decay of convection around suppressed and enhanced convective equilibrium states, referred to as shallow and deep convective discharge–recharge (D–R) cycles, respectively. The shallow convective D–R cycle is characterized by alternating enhancements of shallow cumulus and stratocumulus, often in the presence of extensive cirrus clouds. The deep convective D–R cycle is characterized by sequential increases in shallow cumulus, congestus, narrow deep precipitation, wide deep precipitation, a mix of detached anvil and altostratus and altocumulus, and once again shallow cumulus cloud types. Transitions from the shallow to deep D–R cycle are favored by a positive “column process” feedback, while discharge of convective instability and OHC by mesoscale convective systems (MCSs) contributes to transitions from the deep to shallow D–R cycle. Variability in the processes impacting MSE is comparable in magnitude to, but considerably more balanced than, variability in the processes impacting OHC. Variations in the quantity of atmosphere–ocean coupled static energy (MSE + OHC) result primarily from atmospheric and oceanic transport processes, but are mainly realized as changes in OHC. MCSs are unique in their ability to rapidly discharge both lower-tropospheric convective instability and OHC.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Optimization of thermal barrier coating performance and durability over a drive cycle

A methodology to thermo-mechanically optimize a piston thermal barrier coating over a full drive cycle was established. The optimization objective was to minimize the heat transfer to the engine wall while maintaining structural integrity of the coating. Over 800 candidate materials were investigated and the optimization required more than one million non-road transient drive cycle calculations; real materials were investigated to ensure a realizable result and the existence of thermal and mechanical properties. High computational efficiency was achieved using a recently developed analytical heat transfer technique for multilayer engine walls. An uncoupled approach was utilized for the optimization, wherein the gas temperature and heat transfer coefficient profiles from a fully coupled and calibrated baseline model over the 20-min drive cycle were employed. The coating/piston interface temperature was constrained to be below the maximum piston service temperature limit. The durability was assessed using a recently developed analytical coating delamination framework for engine in-cylinder coatings based on the energy release rate when a crack forms. Results are presented for a mechanically unconstrained optimization and for cases constrained to three fixed levels of drive-cycle maximum energy release rate, and also constrained by the individual material’s toughness. The best-performing coating materials identified were verified using the fully coupled system-level model, which compared well to the uncoupled predictions. A study on the effect of adding a sealing layer to some high-performing, but porous, coatings showed a reduction in fuel consumption benefit and an increased exhaust temperature over the cycle, but the system still outperformed the uncoated case. The results of the study elucidate the importance of including engine performance and mechanical failure considerations in thermal barrier coating design.

Engineering↗
DOE OSTI2020

E3SM Water Cycle Visualization Project (Final Report)

Motivated by the need to improve visualizations of Earth's complex water cycle, this team embarked on non-trivial tasks to push from traditional methods of viewing data from simulations as static line graphs and contour plots into new realms with multiple dimensions (three spatial dimensions and the time component) viewable at once. To do this, we chose to feature the extremes in the general circulation of the atmosphere because these Earth system elements are short-lived, but impactful events. We used simulation data produced by the Department of Energy's (DOE) Energy Exascale Earth System Model (E3SM),which is designed to answer DOE science questions using DOE computing facilities. The E3SM project includes three sets of simulation experiments: cryosphere, bio-geochemical cycles, and the water cycle. The water cycle experiment campaign includes a set of simulations designed to understand how the water cycle will change in coming decades under a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Simplified Method to Evaluate Energy Life Cycle Cost Effectiveness for Electron Ion Collider Infrastructure Design

The new DOE Order 436.1A approved on April 25 th provides instructions to incorporate principles of sustainability early in the project planning and design process. Integral to the principles of sustainability is life cycle cost effectiveness Life Cycle Cost (LCC) Analysis is vital to the sustainable energy efficient design and construction of the Electron Ion Collider (EIC). Reducing energy consumption has a direct impact on reducing life cycle operating costs with benefits to the environment. The early stages of the project are the most influential where design decisions and so life-cycle considerations during this stage can result in significant impacts to the energy footprint of the design. For example, when comparing between various options, it is necessary to compare the energy savings in $\frac{US$}{kWh}$ to the capital cost in US$. And although uncertain by nature, it is important to factor in the expected inflation and discount of future spendings to compare with the cost of immediate capital investment. This tech note presents a tool that engineers can readily use to analyze energy operating costs using an incremental life cycle cost method when comparing different design alternative.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Interactions between molecular-scale biogeochemical processes and hyporheic exchange for understanding coupled Fe-S-C cycling in iron-rich riparian wetlands (Final Technical Report)

Riparian wetlands are dynamic interfaces that exert strong control over water quality, contaminant mobility, and greenhouse gas emissions. These systems are characterized by hyporheic exchange between oxic surface water and anoxic groundwater, which generates steep redox gradients and promotes spatially and temporally variable microbial activity. Despite growing recognition of tightly coupled iron (Fe), sulfur (S), and carbon (C) cycling in these environments, the mechanisms governing these interactions—particularly under low-sulfate freshwater conditions—remain poorly constrained. This project developed a mechanistic understanding of how hydrologic variability and microbial processes interact to control Fe–S–C cycling in iron-rich riparian wetlands. Using a multi-scale and multi-method approach integrating field observations, geochemical and spectroscopic analyses, metagenomics, and reactive transport modeling, we demonstrate that “cryptic” sulfur cycling—rapid sulfur transformations involving intermediate-valence species—plays a dominant and previously underrecognized role in freshwater wetlands. These processes persist despite low sulfate concentrations and significantly influence iron reduction, carbon mineralization, and methane dynamics. The results show that cryptic sulfur cycling enhances dissolved Fe 2+ production, regulates methane concentrations, and is strongly controlled by climate-driven hydrologic fluxes. By linking hydroclimate, subsurface flow, and biogeochemical reactions, this work provides a predictive framework for understanding how wetland systems respond to environmental change, with direct implications for water quality and carbon cycling.

54 ENVIRONMENTAL SCIENCES↗