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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Opinion to address the personal protective equipment shortage in the global community during the COVID-19 outbreak

The current COVID-19 pandemic is stretching both the global supply for face masks and personal protective equipment (PPE). Production capacity is severely limited in many countries. This is a call for the R&D community, particularly to those in the polymer degradation and stability field. We have not only an opportunity but an obligation to engage and collaborate with virology and bio-medical experts. We require comparative R&D for extended, reuse and recyclability options. Additionally, there is urgent need for large scale institutional approaches and methods that can be quickly applied locally by non-experts with limited resources.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quaternary Ammonium-Functionalized Poly(Arylene Ether Sulfone) Random Copolymers for Direct Air Capture

Direct air capture (DAC) is a promising tool for reducing CO 2 concentrations in the atmosphere and fighting climate change. We synthesized a series of quaternary ammonium (QA) functionalized poly(arylene ether sulfone) copolymers with varying mole fractions of charge content and demonstrated their potential as sorbents for DAC. Molecular weight analysis determined high monomer conversion was achieved in <6 h and relatively high molecular weights for all copolymer compositions. Thermal analysis revealed all polymers had degradation temperatures >240 °C and a single glass transition temperature (T g ); the T g decreased with an increase in ion exchange capacity (IEC). Fractional free volume and water uptake percentage increased and water contact angle decreased with the number of QA sites when compared to a neutral, commercially available polysulfone (Udel® P-1700 PSU). Next, the novel series of ammonium-functionalized copolymers exhibited a moisture-mediated capture and release of atmospheric CO 2 . When exposed to air containing 30% relative humidity the polymers captured CO 2 and the capacity increased with the IEC. When the relative humidity was increased to 95% the samples released the CO 2 . This study demonstrates a promising CO 2 DAC sorbent and highlights the possibility for continuous DAC with purpose-built free-standing membranes.

42 ENGINEERING↗
DOE OSTI2024

Enabling High Stability of Co-Free LiNiO 2 Cathode via a Sulfide-Enriched Cathode Electrolyte Interface

Cobalt-free lithium nickel oxide (LNO) has garnered significant interest as the end member of high-nickel layered oxide cathodes for next-generation batteries. However, its practical performance notably underperforms expectations because of the structural degradation and unstable interfacial chemistry with electrolytes during cycling. Here, in this study, we report that a durable cathode-electrolyte interface (CEI), enriched by in situ formed sulfides and borides, can inhibit LNO structural degradation and suppress Ni ion dissolution. With the CEI protection, the stability of LNO can be remarkably extended, and batteries demonstrate a capacity retention rate of 84% (30 °C) and 79% (50 °C) after 200 cycles at 1C, respectively. These results demonstrate that enriching CEI with sulfur-containing species can effectively stabilize the interfacial chemistry of LNO, particularly at an elevated temperature of 50 °C. This finding provides valuable perspectives on designing electrolytes for cobalt-free LNO and other high-Ni cathodes toward the development of next-generation high-energy-density lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Use of Multi-Attribute Utility Analyses to Assess Transportation Routes from ISFSIs - 20535

With two consolidated interim storage facilities for used nuclear fuel (UNF) having applied for storage licenses, there is the potential need to transport UNF in the U.S. from shutdown reactor sites to complete the site cleanup and from operating reactor sites who may be running out of storage options (e.g., spent fuel pools are nearly full and dry storage facilities are reaching licensed capacity). At some of the shutdown reactor sites, only the independent spent fuel storage installation (ISFSI) exists and often there remains a degraded transportation infrastructure for performing shipments from these sites. At other sites (e.g., operating reactor plants), the existing transportation infrastructure on the site is unchanged and sufficient for moving UNF, but the environment around the route may have changed (e.g., what was once a rural setting has transformed into a more urban setting) and/or local stakeholders want their input taken into consideration in UNF transportation activities. So, although preliminary evaluations have been performed to identify viable modes of transport from these sites using rail, barge, and/or heavy haul truck, if multiple options exist for moving the UNF from the site (e.g., multiple truck routes or a truck and a barge route both exist) then an evaluation that takes input from multiple stakeholders should be considered to identified the preference (e.g., ranking) of routes from a site. Orano has supported the development of several studies examining the viable routes for removing UNF from some of these sites and has utilized a multi-attribute utility analysis (MUA) to establish a ranking of routes and associated modes to move the UNF from the ISFSIs to a Class I rail carrier. The ultimate result from the MUA is a list(s) of the most to the least favored/preferred routes from the site. This paper provides an overview of the MUA methodology and provides an example of its application to a site with a shutdown reactor. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

A comparative study on deep learning models for condition monitoring of advanced reactor piping systems

Advanced nuclear reactors offer innovative applications due to their portability, reliability, resiliency, and high capacity factors. To operate them on a wider scale, reducing maintenance life-cycle costs while ensuring their integrity is essential. Autonomous operations in advanced nuclear reactors using augmented Digital Twin (DT) technology can serve as a cost-effective solution by increasing awareness about the system’s health. A key component of nuclear DT frameworks is the condition monitoring of safety systems, such as piping-equipment systems, which involves acquiring and monitoring the plant’s sensor data. Here, this research proposes a condition monitoring methodology utilizing deep learning algorithms, such as multilayer perceptions (MLP) and convolutional neural networks (CNNs), to detect degradation and its severity in nuclear piping-equipment systems. Sensor signals are processed to obtain the power spectral density and the Short-Time Fourier transform, and feature extraction methodologies are proposed to develop degradation-sensitive data repositories. The performance of MLP, one-dimensional (1D) CNN, and 2D CNN within the proposed condition monitoring framework is compared using a finite element model of a 3D piping system subjected to seismic loads as the application case study. Various approaches, such as dropout, k-Fold validation, regularization, and early stopping of training the network, are investigated to avoid overfitting the models to the input sensor data. The predictive capability and computational capacity of the deep learning algorithms are also compared to detect degradation in the Z-pipe system of the Experimental Breeder Reactor II (EBRII). The Z-pipe system is subjected to harmonic excitations that represent normal operating loads, such as pump-induced vibrations. The findings of the study indicate that the proposed artificial intelligence (AI)-driven condition monitoring framework demonstrates superior prediction accuracies with a 2D CNN, whereas the MLP exhibits higher computational efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Voltage and temperature effects on low cobalt lithium-ion battery cathode degradation

Degradation of low cobalt lithium-ion cathodes was tested using a full factorial combination of upper cut-off voltage (4.0 V and 4.3 V vs. Li/Li + ) and operating temperature (25 °C and 60 °C). Half-cell batteries were analyzed with electrochemical and microstructural characterization methods. Electrochemical performance was assessed with galvanostatic cycling, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS) supported by distribution of relaxation times (DRT) analysis. Electrode microstructure was characterized with scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray absorption near edge structure (XANES) imaging. Higher cut-off voltage cycling shows presence of NiO x formation, a low diffusivity rock-salt phase, in both CV and XRD data. XRD patterns confirmed that the rock-salt phase was beginning to form at the low cut-off voltage at high temperature, but in much lower intensity than at the high cut-off voltage. Higher temperature accelerates degradation processes at both voltages. Degradation factors at high temperature include NiO x formation, cathode material dissolution, and electrolyte decomposition. SEM analysis suggests that supporting phases may isolate and disconnect active material particles reducing capacity retention and battery life cycle. DRT analysis and XANES imaging show that both high temperature samples revealed a NiO x phase based on an increased diffusive impedance and a visible shift in the XANES spectra. The low cut-off voltage, high temperature sample showed a split peak and shift to lower energies indicating early formation of the NiO x phase. The diffusive impedance, which hinders intercalation and deintercalation, is driven by the formation of the NiO x phase. While primarily driven by cut-off voltage, elevated temperature also contributes to this degradation mechanism.

electrochemical impedance spectroscopy↗
DOE OSTI2025

Solid‐State Prealkylation of Electrode Architectures (SPEAR): Direct Control of Prelithiation Levels in Silicon Anodes and Electrochemical Cycling

The Solid-state Prealkylation of Electrode ARchitectures (SPEAR) is different than traditional electrochemical prealkylation processes. Through SPEAR, alkylation is driven by solid-state diffusion without the simultaneous SEI formation concomitant with polarization. Here, we investigate the prelithiation of 80 wt. % Si-based anodes to varying amounts (up to Li 1.38 Si) to understand the trade-off between improved Li capacity and expansion-induced stress. Through dilatometry, we found that solid-state lithiation led to filling of the electrode pores through silicon expansion. This swelling changed the SEI formation process and accessibility of the silicon compared to an electrochemically lithiated electrode. Indeed, optimal prelithiation to Li 0.82 Si increases the initial C/3 cycling capacity post-SEI formation up to 43%, consistent with deeper Si activation through the electrode bulk. Prelithiation and cycling cells prelithiated beyond Li 0.82 Si results in a state of charge (SOC) close to 100% which facilitates parasitic degradation mechanisms and volume expansion of the Si electrode. The results demonstrate a pathway to modify silicon activation/SEI formation to enable high-energy electrodes.

Musgrove, Amanda L. [Oak Ridge National Laboratory↗
DOE OSTI2022

Multiscale Electrochemomechanics Interaction and Degradation Analytics of Sn Electrodes for Sodium-Ion Batteries

Sodium-ion batteries have emerged as a strong contender among the beyond lithium-ion chemistries due to elemental abundance and the low cost of sodium. Tin (Sn) is a promising alloying electrode with high capacity, redox reversibility, and earth abundance. Tin electrodes, however, undergo a series of intermediate reactions exhibiting multiple voltage plateaus upon sodiation/desodiation. Phase transformations related to incomplete sodiation in tin during cycling, in the presence of a frail solid electrolyte interphase layer, can quickly weaken the structural stability. The structural dynamics and reactivity of the electrode/electrolyte interface, being further dependent on the size and morphology of the active material particle in the presence of different electrolytes, dictate the electrode degradation and survivability during cycling. Here, we paint a comprehensive picture of the underpinnings of the electrochemical and mechanics coupling and electrode/electrolyte interfacial interactions in alloying Sn electrodes. We elicit the fundamental role of electrode/electrolyte complexations in the Sn electrode structure-property-performance relationship based on multimodal analytics, including electrochemical, microscopy, and tomography analyses.

25 ENERGY STORAGE↗
DOE OSTI2023

Calendar life of lithium metal batteries: Accelerated aging and failure analysis

Lithium metal batteries (LMBs) are prime candidates for next-generation energy storage devices characterized by their remarkable energy storage capabilities. Despite the importance of understating the calendar aging impacts in LMBs, cycle life and calendar life have received inconsistent attention across various research and development stages. For acceptance into an application, especially electric vehicles, batteries are required to have sufficient calendar life to ensure performance over the life of vehicles which often experience extended periods of inactivity. In this study, an in-depth exploration into the calendar aging of LMB (Li/ Li[Ni 0.8 Mn 0.1 Co 0.1 ]O 2 in pouch cell format) is conducted. Specifically, the impact of calendar aging factors, state-of-charge (SOC), temperature, pressure, and operating conditions (open-circuit voltage, OCV and constant voltage, CV) on the surface morphology and thickness change rate in lithium metal anode is investigated. Notably, the results show that storing LMB pouch cells at an OCV, 80 % SOC, 25 °C, and 10 psi external pressure leads to a <1% reduction in capacity over 18 months. The results also suggest routes which can be utilized in the future for accelerated aging without altering the primary degradation modes. The results also show an accelerated calendar aging at high temperatures (45 °C), 100 % SOC, and CV suggesting they may serve as key accelerated aging methods for future studies. During calendar aging, pressure mitigates dendrite growth and extends calendar life. In conclusion, the insights from this study reinforce the viability of LMBs as a compelling solution for addressing increased energy storage needs in real-world applications.

25 ENERGY STORAGE↗
DOE OSTI2026

Discovery of a new phase transition and high-valent redox mechanism in Fe-substituted Na 2 Mn 3 O 7

Sodium-ion batteries are a promising lower-cost alternative to lithium-ion batteries, but further improvements in electrochemical performance are required. One strategy to increase capacity is to enable reversible high-valent cationic and anionic redox in layered cathode materials; however, this is typically accompanied by structural degradation. Here, in this study, we elucidate the mechanism by which Fe-doped Na 2 Mn 3 O 7 , featuring ordered transition metal-vacancies, achieves reversible high-valent redox. Using Mössbauer spectroscopy, soft X-ray absorption spectroscopy (XAS), and in-situ hard XAS, we demonstrate reversible high-valent cationic redox involving both Fe and Mn while in-situ Raman confirms the absence of local structural degradation associated with oxygen redox. Combining in-situ X-ray diffraction with theoretical calculations, we further identify a previously unreported global phase transition from the $\bar{P1}$ to the $P2_1/c$ space group during electrochemical cycling and develop a physical model describing this structural evolution. These results provide insights for structurally stable layered sodium transition metal oxide cathodes with reversible high-valent redox.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Data Driven Approach to Analyzing The Impact of Power Plant Cycling on Air Preheater Degradation and Remaining Useful Life

Due to the increased penetration of renewable energy generation sources, and fluctuations of the oil and gas prices, modern coal burning power plants deal with increased variability in the demand for power generation. These varying demands result in their intermittent under-capacity operation (cycling). Periodical ramping down and back up to follow the daily power demands causes damages to the plant components reducing its operational life. In this paper we analyze the impact of cycling on a rotary Ljungstrom air preheater (APH) unit installed at a coal fire power plant in the US. An inefficient air preheater can significantly impact boiler performance. Due to the repeated boiler’s hot-cold start, the APH experiences fluctuating operating conditions that result in accelerated degradation mechanisms, such as dew-point corrosion, fouling/deposition plugging, and air heater leakage. The analysis in this paper utilizes field data related to APH basket replacement, and the number of cycles experienced by the boiler to model the life expectancy of the baskets. The data-driven model enables preventive maintenance strategies for the APH by predicting how long the APH baskets will last in a probabilistic sense. Furthermore, the analysis showed that an increase in cycling for a fixed operation time can reduce the APH basket remaining useful life by about 30%.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

DATA DRIVEN APPROACH TO ANALYZING THE IMPACT OF POWER PLANT CYCLING ON AIR PREHEATER DEGRADATION AND REMAINING USEFUL LIFE

Due to the increased penetration of renewable energy generation sources, and fluctuations of the oil and gas prices, modern coal burning power plants deal with increased variability in the demand for power generation. These varying demands result in their intermittent under-capacity operation (cycling). Periodical ramping down and back up to follow the daily power demands causes damages to the plant components reducing its operational life. In this paper we analyze the impact of cycling on a rotary Ljungstrom air preheater (APH) unit installed at a coal fire power plant in the US. An inefficient air preheater can significantly impact boiler performance. Due to the repeated boiler’s hot-cold start, the APH experiences fluctuating operating conditions that result in accelerated degradation mechanisms, such as dew-point corrosion, fouling/deposition plugging, and air heater leakage.The analysis in this paper utilizes field data related to APH basket replacement, and the number of cycles experienced by the boiler to model the life expectancy of the baskets. The data-driven model enables preventive maintenance strategies for the APH by predicting how long the APH baskets will last in a probabilistic sense. The analysis showed that an increase in cycling for a fixed operation time can reduce the APH basket remaining useful life by about 30%.

Sharma, Himanshu↗
DOE OSTI2025

Comparative Study of Vinylene Carbonate and Lithium Difluoro(oxalate)borate Additives in a SiO x /Graphite Anode Lithium-Ion Battery in the Presence of Fluoroethylene Carbonate

The SiO x /graphite composite is recognized as a promising anode material for lithium-ion batteries (LIBs), owing to the high theoretical capacity of SiO x combined with the excellent stability of graphite. However, the inherent disadvantage of volume expansion in silicon-based anodes places significant challenges on the solid electrolyte interphase (SEI) and severely degrades the electrochemical performance. Rational formulation of electrolyte, including its additives, is crucial in accommodating and optimizing the composition of the SEI and enhancing the cell performance. In this work, we present a comparative study of vinylene carbonate (VC) and lithium difluoro(oxalate)borate (LiDFOB) additives combined with fluoroethylene carbonate (FEC) in the electrolyte for SiO x /graphite∥LiNi 1–x–y–z Co x Mn y Al z O 2 full cells. VC outperformed LiDFOB as an additive, delivering higher capacity cycling, higher Coulombic efficiency, and better cycle stability up to 400 cycles. XPS and impedance analyses reveal that LiDFOB contributed to SEI/CEI with both a lower proportion of LiF and a higher proportion of poly(VC), which tended to produce higher cell impedance. XRD and XANES further indicated that using the LiDFOB additive, the NCMA cycled to a shallower degree than that of the VC additive. Although the VC additive maintained a higher capacity up to 400 cycles, microstrain and SEM analyses show a higher strained NCMA along with clear evidence of cracking over the surface of the NCMA particle in VC-based electrolyte but not in LiDFOB. In conclusion, this suggests that the negative influence of LiDFOB at the anode (inferior SEI) supersedes the negative impact of both a cracked NCMA and a deeper cycled NCMA and SiO x -based anode.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Decoupling Proton and Cation Contributions to Capacitive Charge Storage in Birnessite in Aqueous Electrolytes

Abstract Nanostructured birnessite is of interest as an electrode material for aqueous high power electrochemical energy storage as well as desalination devices. In neutral pH aqueous electrolytes, birnessite exhibits a capacitive response attributed to the adsorption of cations and protons at the outer surface and within the hydrated interlayer. Here, we utilize the understanding of proton‐coupled electron transfer (PCET) in buffered electrolytes to decouple the role of protons and cations in the capacitive charge storage mechanism of birnessite at neutral pH. We find that without buffer, birnessite exhibits primarily potential‐independent (capacitive) behavior with excellent cycling stability. Upon the addition of buffer, the capacity initially increases and the cyclic voltammograms become more potential‐dependent, features attributed to the presence of PCET with the birnessite. However, long‐term cycling in the buffered electrolyte leads to significant capacity fade and dissolution, which is corroborated through ex situ characterization. ReaxFF atomistic scale simulations support the observations that proton adsorption leads to birnessite degradation and that capacitive charge storage in birnessite is primarily attributed to cation adsorption at the outer surface and within the interlayer.

Saeed, Saeed↗
DOE OSTI2022

Carbon-free high-performance cathode for solid-state Li-O 2 battery

The development of a cathode for solid-state lithium-oxygen batteries has been hindered in practice by a low capacity and limited cycle life despite their potential for high energy density. Here, a previously unexplored strategy is proposed wherein the cathode delivers a specific capacity of 200 milliampere hour per gram over 665 discharge/charge cycles, while existing cathodes achieve only ~50 milliampere hour per gram and ~100 cycles. A highly conductive ruthenium-based composite is designed as a carbon-free cathode by first-principles calculations to avoid the degradation associated with carbonaceous materials, implying an improvement in stability during the electrochemical cycling. In addition, water vapor is added into the main oxygen gas as an additive to change the discharge product from growth-restricted lithium peroxide to easily grown lithium hydroxide, resulting in a notable increase in capacity. Thus, the proposed strategy is effective for developing reversible solid-state lithium-oxygen batteries with high energy density.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Network upgrade exploiting multi band: S- or E-band?

Nowadays, the fiber spectrum is only partially exploited, i.e., mainly in the C-band and more recently in the C + L-band, where the fiber attenuation profile experiences the minimum. Thus, fiber communications technology—amplifiers, switching, transceivers, etc.—and networking solutions are mature for those spectrum bands. However, the continuous increase in traffic means that capacity saturation of the current infrastructure is looming. Taking advantage of the unused portions of the spectrum (e.g., the S- and E-bands) may be an efficient solution to accommodate an increase in traffic without installing new fibers. Research is thus investigating multi-band transmission and networking to evaluate and enable such network upgrades. Some issues need to be solved or taken into account, from the enabling technology (e.g., amplifiers in the S- or E-band are still under development) to physical layer effects previously neglected, such as stimulated Raman scattering (SRS). SRS affects wideband transmission, potentially degrading active channels. The contribution of this paper is the investigation of network upgrades for C + L-band systems. In particular, upgrades exploiting the E- and S-bands are compared taking into account each band capacity and the effects of SRS on both new and already deployed channels (in both the C- and L-bands). A detailed analysis of the physical layer is provided also in the presence of guard bands between previously exploited bands and the bands used for upgrade. By leveraging the physical layer assessment, a networking analysis is carried out to evaluate the supported traffic increase and also the signal quality degradation due to SRS on active channels. Overall, the results suggest that upgrades to the E- and S-bands support a comparable increase in traffic. However, the exploitation of the E-band with 14 THz of guard band between the C- and E-bands may avoid detrimental effects to already active channels in the C + L-band, suggesting this upgrade strategy can be the most effective of the two.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Mechanical behavior of carbonated MgO-based Engineered Cementitious Composite (ECC) after high temperatures exposure

Carbonated MgO-based Engineered Cementitious Composite (ECC) has ultrahigh tensile ductility and tight crack width control behavior. However, the expectation of improved fire-resistant has not been confirmed. This study explored the alterations to mechanical and microstructure characteristics of this material after exposure to temperatures up to 500 °C. Material mass loss, compressive strength, tensile strength, strain capacity, and matrix fracture toughness were measured. Scanning electron microscopy, mercury intrusion porosimetry, thermogravimetric analysis, and X-ray diffraction were used to probe the degradation of the cement matrix and fibers. The effect of elevated temperature on carbonated MgO-based ECC was further assessed via examination of the micromechanical behavior of the fiber-matrix. The objective of this research was to assess the performance of carbonated MgO-based ECC exposed to fire hazards. The tensile ductility of carbonated MgO-based ECC was found to be enhanced when exposed to ~100 °C as compared with those at room temperature ~20 °C. Further increase in exposure temperature, however, posed a negative impact on the composite compressive strength, ultimate tensile strength, and ability to control crack width. Here the results provide a useful database for further investigations into carbonated MgO-based ECC for fire safety enhancement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Linking Pressure to Electrochemical Evolution in Solid-State Conversion Cathode Composites

Conversion-type cathodes, such as sulfur, FeS 2 , and FeF 3 , offer high theoretical capacities in solid-state lithium batteries but are hindered by substantial volume changes during cycling, leading to interfacial contact loss, crack formation, and microstructural degradation. Here, we investigate the relationships between electrochemical, mechanical, and structural evolution in solid-state electrode composites with these three active materials. Using real-time stack-pressure monitoring, synchrotron X-ray absorption spectroscopy, and electrokinetic modeling, we elucidate how stress evolution is linked to reversible and irreversible redox reactions. Nonlinear stack pressure evolution in cells with sulfur, FeS 2 , and FeF 3 electrode composites is found to arise from material-specific volume changes, the balance of volume change between the working and counter electrode, and the formation of distinct reaction intermediates. The three materials exhibit distinct stack pressure evolution, which is closely related to the different reaction processes in the materials, as demonstrated with X-ray absorption spectroscopy measurements. Through mesoscale modeling, we relate the experimental measurements to species evolution at the particle scale and track the dynamic coexistence of intermediate phases. Our findings highlight the importance of designing for volume changes of a given active material in solid-state battery systems.

batteries↗