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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Machine-learning-assisted deciphering of microstructural effects on ionic transport in composite materials: A case study of Li 7 La 3 Zr 2 O 12 -LiCoO 2

The effective diffusivity of ionic species in multiphase materials is critical for the design and function of composite materials for electrochemical energy storage. In practice, effective diffusivity depends sensitively not only on the intrinsic diffusivities of constituting materials but also on their topological arrangement; nevertheless, these coupled contributions are oversimplified in most analytical models. Here, we combine atomistically informed mesoscale modeling and machine learning (ML) analysis to unravel how such features affect effective diffusivity in two-phase composites. Using the Li 7 La 3 Zr 2 O 12 -LiCoO 2 composite solid-state battery cathode as a model system, we compute effective diffusivity for 600 distinct dense polycrystalline microstructures with different topological configurations of grains, grain boundaries, and heterointerfaces. We verify that in addition to atomic-scale variabilities, microstructural feature diversity can significantly impact effective transport properties. Across the ensemble of test microstructures, this often results in bimodal distributions of effective diffusivity that encompass two qualitatively distinct operating mechanisms, which we identify via flux analysis. An ML approach reveals that the most critical determining factors for effective diffusivity are the connectivity of bulk phases and their heterointerfaces. The role of ionic mobility at the heterointerfaces is also discussed. These insights highlight the combined importance of microstructure and interface engineering in tuning the transport properties of ionic species in composite materials. In conclusion, our framework can also be extended for understanding generic microstructure-property relationships in other complex multiphase materials.

25 ENERGY STORAGE↗
DOE OSTI2024

The rise of high-entropy battery materials

The emergence of high-entropy materials has inspired the exploration of novel materials in diverse technologies. In electrochemical energy storage, high-entropy design has shown advantageous impacts on battery materials such as suppressing undesired short-range order, frustrating energy landscape, decreasing volumetric change and reducing the reliance on critical metals. This comment addresses the definition and potential improper use of the term “high entropy” in the context of battery materials design, highlights the unique properties of high-entropy materials in battery applications, and outlines the remaining challenges in the synthesis, characterization, and computational modeling of high-entropy battery materials.

25 ENERGY STORAGE↗
NASA NTRS1997

Behavior of 2-Cell CPV Ni-H2 Battery During Pulse Discharge

A study was carried out to determine the transient voltage behavior of the 2-cell CPV nickel-hydrogen battery with the objective of using the results as a basis for mathematical modeling. The 2-cell CPV battery which is manufactured by Eagle Picher, Inc. for the GOES program yields 18.5 Ah at C/2 rate of discharge at 10 C with a mid-discharge voltage of 2.514 V. The capacity increased with decrease of temperature and a maximum capacity of 22 Ah was obtained at -5 C. The pulse tests consisted of obtaining the voltage profile in the first 20 milliseconds of the one minute pulse discharge at 37 A and pulse discharge was repeated as a function of state- of- charge. The pulse test at 10 C and 20 C provided voltage profiles with the expected decrease in voltage as the pulse was applied. The end of pulse voltage decreased with the state-of-charge. The battery voltage was above 2V at the end of the one-minute pulse at 8 % state-of-charge at 10 C. The voltage profile during the 37 A pulse discharge consists of an initial drop in voltage which was independent of the state of charge. The invariability in the value for the initial drop in voltage with state of charge is a very important observation. The results show that towards the end of discharge the dominant resistance is not ohmic in nature. It could be hypothesized from the nature of the voltage transients that the dominant mechanism towards the end of discharge is proton diffusion. The study also shows that the dominant resistance in the voltage plateau during discharge is activation polarization.

Vaidyanathan, Hari↗
NASA NTRS1998

Behavior of 2-Cell CPV Ni-H2 Battery During Pulse Discharge

A study was carried out to determine the transient voltage behavior of the 2-cell CPV nickel-hydrogen battery with the objective of using the results as a basis for mathematical modeling. The 2-cell CPV battery which is manufactured by Eagle Picher, Inc. for the GOES program yields 18.5 Ah at C/2 rate of discharge at 10 C with a mid-discharge voltage of 2.514 V. The capacity increased with decrease of temperature and a maximum capacity of 22 Ah was obtained at -5 C. The pulse tests consisted of obtaining the voltage profile in the first 20 milliseconds of the one minute pulse discharge at 37 A and pulse discharge was repeated as a function of state-of-charge. The pulse test at 10 C and 20 C provided voltage profiles with the expected decrease in voltage as the pulse was applied. The end of pulse voltage decreased with the state-of-charge. The battery voltage was above 2V at the end of the one-minute pulse at 8 % state-of-charge at 10 C. The voltage profile during the 37 A pulse discharge consists of an initial drop in voltage which was independent of the state of charge. The invariability in the value for the initial drop in voltage with state of charge is a very important observation. The results show that towards the end of discharge the dominant resistance is not ohmic in nature. It could be hypothesized from the nature of the voltage transients that the dominant mechanism towards the end of discharge is proton diffusion. The study also shows that the dominant resistance in the voltage plateau during discharge is activation polarization.

Vaidyanathan, Hari↗
NASA NTRS1997

Behavior of 2 Cell CPV NI-H2 Battery During Pulse Discharge

A study was carried out to determine the transient voltage behavior of the 2-cell CPV nickel-hydrogen battery with the objective of using the results as a basis for mathematical modeling. The 2-cell CPV battery which is manufactured by Eagle Picher, Inc. for the GOES program yields 18.5 Ah at C/2 rate of discharge at 10 C with a mid-discharge voltage of 2.514 V. The capacity increased with decrease of temperature and a maximum capacity of 22 Ah was obtained at - 5 C. The pulse test consisted of obtaining the voltage profile in the first 20 milliseconds of the one minute pulse discharge at 37 A and pulse discharge was repeated as a function of state-of-charge. The pulse test at 10 C and 20 C provided voltage profiles with the expected decrease in voltage as the pulse was applied. The end of pulse voltage decreased with the state-of-charge. The battery voltage was above 2V at the end of the one-minute pulse at 12% state-of-charge at 10 C. The voltage profile during the 37 A pulse discharge consists of an initial drop in voltage which was independent of the state of charge. The invariability in the value for the initial drop in voltage with state of charge is a very important observation and indicates that towards the end of discharge the dominant resistance is not ohmic in nature. It could be hypothesized from the nature of the voltage transients that the dominant mechanism towards the end of discharge is proton diffusion. The study also shows that the dominant resistance in the voltage plateau during discharge is activation polarization.

Gopalakrishna, M. Rao↗
DOE OSTI2022

Discharge intermittency considerably changes ZnO spatial distribution in porous Zn anodes

Porous Zn anodes are ubiquitous in primary batteries and are under development for low-cost rechargeable batteries. Spatial distribution of ZnO discharge product is a critical factor in these, because it can passivate the active material. In rechargeable cells this is related to a major failure mechanism called shape change, in which ZnO is relocated to inactive locations. In this work we demonstrate rest steps during discharge of primary Zn anodes dramatically alter the placement of ZnO in the anode. In alkaline electrolyte, ZnO discharge product is typically modeled as precipitating close to Zn particles, forming a porous ZnO shell around the Zn core. Further, anodes discharged continuously at low-rate are compared to anodes similarly discharged intermittently, using in situ computed tomography from a synchrotron source. Zn–ZnO core-shell structures are produced during continuous discharge but are not found in cells discharged intermittently. Continuously discharged cells showed that ZnO was formed most strongly near the separator, in agreement with Zn anode battery models. In pulse-discharged cells, ZnO was more radially distributed and was in large formations not physically connected to Zn particles. Thus, discharge intermittency changes spatial distribution of ZnO in ways that are unpredicted by Zn anode models.

25 ENERGY STORAGE↗