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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

DuraMAT: Building a Consortium to Accelerate the Photovoltaic Module Reliability Learning Cycle

Durable and reliable photovoltaic (PV) modules are critical to enabling an efficient transition to sustainable energy generation. The rate at which new module designs and materials are developed and deployed currently outpaces the rate at which we can identify failure mechanisms and understand degradation rates. Increasing the service life of PV modules, and our ability to predict performance over time, requires more durable materials and designs, better durability testing, more extensive material characterization, robust modeling, and methods to cross-examine historical performance data to extract meaningful results. This is a multidisciplinary challenge that requires expertise from a broad range of fields and, therefore, benefits significantly from a collaborative approach. In this Perspective, we outline the approach taken by the Durable Module Materials Consortium (DuraMAT), present a few case studies where our approach was successful, and provide an outlook on where this approach might be applied as the PV technology landscape continues to rapidly evolve. Published by the American Physical Society 2024

14 SOLAR ENERGY↗
DOE OSTI2020

Investigation of the structure and chemical nature of Pd fission product agglomerations in irradiated TRISO particle SiC

Tristructural-isotropic (TRISO)-coated fuel particles are used in high-temperature gas-cooled nuclear reactors. Although the polycrystalline 3C-SiC layer acts as the main barrier to fission product release, post-irradiation examinations have shown that certain metallic fission products are found outside of the TRISO coated particle, with no observable micro-cracks or other mechanical failure feature. In this study, an atomic resolution transmission electron microscopy investigation of a SiC layer of a neutron irradiated (19.38% fissions per initial metal atom average burnup; 1072°C time-averaged temperature) TRISO-coated particle from the first advanced gas reactor experiment at Idaho National Laboratory containing mainly Pd and U was conducted. The fission product Pd was found to be present at dislocation cores associated with twins, stacking faults, and their intersections. The Pd present at the dislocation cores were bonded to Si, suggesting that the diffusion of Pd along the SiC dislocation cores involves the formation of Pd-Si bonds. Evidence of single atom grain boundary migration was also found. Fission product agglomerations at grain boundaries most likely consist of a random solid solution containing Si-FP, Si-C, and C-C type bonding arrangements. No difference in the Si- or C-bonding environment is found for the unoccupied grain boundary adjacent to a fission product agglomeration compared to the bulk SiC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Impact of Testing Method on Safety Assessment of Aged Li-Ion Cells: Part II – Aged Cells Without Li Plating

Understanding the safety profile of aged Li-ion batteries is essential for developing effective battery management and hazard mitigation strategies. However, most safety assessments have focused on fresh batteries, with just a few calorimetry studies on aged batteries with metal oxide positive electrodes. This study provides a broad assessment of commercial 18650-type Li-ion batteries with NCA, NMC, and LFP positive electrodes, both uncycled and aged under conditions that promoted solid electrolyte interphase (SEI) growth as the dominant degradation mechanism. The cells underwent mechanical (nail penetration, crush), electrical (overcharge, overdischarge), and thermal (accelerating rate calorimetry) abuse tests. Safety was rated on general characteristics such as mass loss, maximum temperature, and EUCAR (European Council for Automotive R&D) hazard level, as well as characteristics specific to individual abuse tests. Generally, aged cells with SEI growth exhibited similar or improved safety compared to uncycled cells, contrasting with our previous findings on NCA cells with Li plating as the dominant aging mechanism (Part I of this series). Yet, some tests and characteristics indicated reduced aged cell safety, such as earlier triggering of mechanical failure. These results emphasize the need to examine aged battery safety across diverse empirical techniques, degradation modes, and chemistries.

Lithium-ion cells↗
DOE OSTI2026

Heterogeneous doping via nanoscale coating impacts the mechanics of Li intrusion in brittle solid electrolytes

Lithium dendrite intrusion in solid-state batteries limits fast charging and causes short-circuiting, yet the underlying regulating mechanisms are not well-understood. Here, in this work, we discover that heterogeneous Ag + doping dramatically affects lithium intrusion into Li 6.6 La 3 Zr 1.6 Ta 0.4 O 12 (LLZO), a brittle solid electrolyte. Nanoscale Ag + doping is achieved by thermally annealing a 3-nm-thick metallic coating on LLZO, inducing Ag–Li ion exchange and Ag diffusion into grains and grain boundaries. Density functional theory calculations and experimental characterization show negligible impact on the electronic properties and surface wettability from Ag + incorporation. Mechanically, nanoindentation experiments show a fivefold increase in the mechanical force required to fracture the surface Ag + -doped LLZO, indicating substantial doping-induced surface toughening. Operando microprobe scanning electron microscopy experiments show that the Ag + -doped LLZO surface exhibits improved lithium plating at >250 mA cm −2 and an electroplating diameter that is expanded by over fourfold, even under an extreme indentation stress of 3 GPa. This demonstrates enhanced defect tolerance in LLZO, rather than electronic or adhesion effects. Our study reveals a chemo-mechanical mechanism via surface heterogeneous doping, complementing present bulk design rules to minimize mechanical failures in solid-state batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enabling Stable Cycling of 4.2 V High-Voltage All-Solid-State Batteries with PEO-Based Solid Electrolyte

Poly(ethylene oxide) (PEO)-based solid electrolytes are expected to be exploited in solid-state batteries with high safety. Its narrow electrochemical window, however, limits the potential for high voltage and high energy density applications. In this paper, the electrochemical oxidation behavior of PEO and the failure mechanisms of LiCoO 2 -PEO solid-state batteries are studied. It is found that although for pure PEO it starts to oxidize at a voltage of above 3.9 V versus Li/Li + , the decomposition products have appropriate Li + conductivity that unexpectedly form a relatively stable cathode electrolyte interphase (CEI) layer at the PEO and electrode interface. The performance degradation of the LiCoO 2 -PEO battery originates from the strong oxidizing ability of LiCoO 2 after delithiation at high voltages, which accelerates the decomposition of PEO and drives the self-oxygen-release of LiCoO 2 , leading to the unceasing growth of CEI and the destruction of the LiCoO 2 surface. When LiCoO 2 is well coated or a stable cathode LiMn 0.7 Fe 0.3 PO 4 is used, a substantially improved electrochemical performance can be achieved, with 88.6% capacity retention after 50 cycles for Li 1.4 Al 0.4 Ti 1.6 (PO 4 ) 3 coated LiCoO 2 and 90.3% capacity retention after 100 cycles for LiMn 0.7 Fe 0.3 PO 4 . The results suggest that, when paired with stable cathodes, the PEO-based solid polymer electrolytes could be compatible with high voltage operation.

25 ENERGY STORAGE↗
DOE OSTI2021

Multiscale Understanding of Surface Structural Effects on High-Temperature Operational Resiliency of Layered Oxide Cathodes

The worldwide energy demand in electric vehicles and the increasing global temperature have called for development of high-energy and long-life lithium-ion batteries (LIBs) with improved high temperature operational resiliency. However, current attention has been mostly focused on cycling aging at elevated temperature, leaving considerable gaps of knowledge in the failure mechanism and practical control of abusive calendar aging and thermal runaway that are highly related to the eventual operational lifetime and safety performance of LIBs. Herein, using a combination of various in situ synchrotron X-ray and electron microscopy techniques, we report a multiscale understanding of surface structure effects involved in regulating the high temperature operational tolerance of polycrystalline Ni-rich layered cathodes. Our results collectively show that an ultraconformal poly (3,4-ethylenedioxythiophene) coating can effectively prevent LiNi 0.8 Co 0.1 Mn 0.1 O 2 cathode from undesired phase transformation and transition metal dissolution on the surface, atomic displacement and dislocations within primary particles, intergranular cracking along the grain boundaries within secondary particles, and intensive bulk oxygen release during high state-of-charge and high temperature aging. As a result, the present work highlights the essential role of surface structure controls in overcoming the multiscale degradation pathways of high-energy battery materials at extreme temperature.

25 ENERGY STORAGE↗
DOE OSTI2023

Imitating Architectural Mortise‐Tenon Structure for Stable Ni‐Rich Layered Cathodes

Ni-rich layered oxides are the most promising cathodes for Li-ion batteries, but chemo-mechanical failures during cycling and large first-cycle capacity loss hinder their applications in high-energy batteries. Herein, by introducing spinel-like mortise-tenon structures into the layered phase of LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811), the adverse volume variations in cathode materials can be significantly suppressed. Meanwhile, these mortise-tenon structures play the role of the expressway for fast lithium-ion transport, which is substantiated by experiments and calculations. Moreover, the particles with mortise-tenon structures usually terminate with the most stable (003) facet. The new cathode exhibits a discharge capacity of 215 mAh g –1 at 0.1 C with an initial Coulombic efficiency of 97.5%, and capacity retention of 82.2% after 1200 cycles at 1 C. Importantly, this work offers a viable lattice engineering to address the stability and low initial Coulombic efficiency of the Ni-rich layered oxides, and facilitates the implementation of Li-ion batteries with high-energy density and long durability.

25 ENERGY STORAGE↗
DOE OSTI2024

High–Energy Earth–Abundant Cathodes with Enhanced Cationic/Anionic Redox for Sustainable and Long–Lasting Na–Ion Batteries

Layered iron/manganese-based oxides are a class of promising cathode materials for sustainable batteries due to their high energy densities and earth abundance. However, the stabilization of cationic and anionic redox reactions in these cathodes during cycling at high voltage remain elusive. Here, an electrochemically/thermally stable P2-Na 0.67 Fe 0.3 Mn 0.5 Mg 0.1 Ti 0.1 O 2 cathode material with zero critical elements is designed for sodium-ion batteries (NIBs) to realize a highly reversible capacity of ≈210 mAh g –1 at 20 mA g –1 and good cycling stability with a capacity retention of 74% after 300 cycles at 200 mA g –1 , even when operated with a high charge cut-off voltage of 4.5 V versus sodium metal. Combining a suite of cutting-edge characterizations and computational modeling, it is shown that Mg/Ti co-doping leads to stabilized surface/bulk structure at high voltage and high temperature, and more importantly, enhances cationic/anionic redox reaction reversibility over extended cycles with the suppression of other undesired oxygen activities. This work fundamentally deepens the failure mechanism of Fe/Mn-based layered cathodes and highlights the importance of dopant engineering to achieve high-energy and earth-abundant cathode material for sustainable and long-lasting NIBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Mechanochemically Robust LiCoO 2 with Ultrahigh Capacity and Prolonged Cyclability

Pushing intercalation-type cathode materials to their theoretical capacity often suffers from fragile Li-deficient frameworks and severe lattice strain, leading to mechanical failure issues within the crystal structure and fast capacity fading. This is particularly pronounced in layered oxide cathodes because the intrinsic nature of their structures is susceptible to structural degradation with excessive Li extraction, which remains unsolved yet despite attempts involving elemental doping and surface coating strategies. Herein, a mechanochemical strengthening strategy is developed through a gradient disordering structure to address these challenges and push the LiCoO 2 (LCO) layered cathode approaching the capacity limit (256 mAh g -1 , up to 93% of Li utilization). This innovative approach also demonstrates exceptional cyclability and rate capability, as validated in practical Ah-level pouch full cells, surpassing the current performance benchmarks. Comprehensive characterizations with multiscale X-ray, electron diffraction, and imaging techniques unveil that the gradient disordering structure notably diminishes the anisotropic lattice strain and exhibits high fatigue resistance, even under extreme delithiation states and harsh operating voltages. Consequently, this designed LCO cathode impedes the growth and propagation of particle cracks, and mitigates irreversible phase transitions. In conclusion, this work sheds light on promising directions toward next-generation high-energy-density battery materials through structural chemistry design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mitigating Battery Cell Failure: Role of Ag‐Nanoparticle Fillers in Solid Electrolyte Dendrite Suppression

Abstract The development of solid‐state batteries (SSBs) with lithium Li metal anodes holds significant promise for enhancing the energy density and safety of next‐generation energy storage systems. However, their commercialization is hindered by challenges related to Li dendrite formation, which can lead to short circuits and battery failure. In this study, the role of Ag nanoparticles embedded within solid electrolytes (SE) is investigated in suppressing dendrite propagation. The results demonstrate that Ag nanoparticles effectively mitigate two key failure mechanisms: (1) dendrite growth within porous networks at low current densities and (2) stress intensification‐induced SE fracture at higher current densities (12 mA cm −2 ). Ex situ characterization using focused‐ion beam – scanning electron microscopy (FIB–SEM) and energy dispersive X‐ray spectroscopy (EDS,) reveals that Ag nanoparticles migrate alongside advancing Li dendrites, promoting homogeneous dendrite growth and reducing the likelihood of localized stress concentrations. Additionally, the incorporation of Ag nanoparticles is shown to facilitate a more uniform Li distribution toward the anode side, which can potentially enable the use of higher charging rates in SSBs. This study provides a new perspective on Li dendrite suppression and presents new opportunities for enhancing the performance and safety of SSBs.

Diallo, Mouhamad Said↗
DOE OSTI2022

Resonant acoustic monitoring of damage in plug‐screw feeders

Abstract Plug‐screw feeders are critical in many industrial processes for compressing slurry materials via a rotating plug‐screw feeder. Over time, increasing plug‐screw feeder wear will eventually lead to catastrophic mechanical failure. Early detection of the wear state can prevent unplanned catastrophic failures resulting in operational shut‐downs, costly repairs, and most importantly the health and safety of workers. We present a theoretical basis for a noninvasive, in operando acoustic resonant technique to monitor the wear state of plug‐screw feeders. The technique is based on tracking the resonant acoustic modes of the plug‐screw feeder, which are sensitive to the plug‐screw feeder geometry, material, and operating conditions. We implemented a multivariate polynomial model to estimate the plug‐screw feeder wear state using multiple acoustic resonances by simulating the acoustic resonant modes for two categories of wear (tip and thread damage) that are common in plug‐screw feeders. Fitting multiple resonances to the polynomial model, we demonstrate accurate estimation of the total mass loss, as well as characterization of the type of damage (i.e., tip vs. thread). Current approaches for monitoring plug‐screw feeder wear rely on shutting down the operation and visually inspecting the plug‐screw feeder. The presented acoustic technique offers a noninvasive, in operando measurement approach that mitigates unplanned catastrophic failures. The acoustic resonance technique presented in the paper has a broad range of industrial applications including the Pharmaceutical, Mining, Integrated Biorefineries (IBR), and Additive Manufacturing industries, to name a few.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impacts of Dissolved Ni 2+ on the Solid Electrolyte Interphase on a Graphite Anode

Transition metal (e.g. Ni) ions dissolved from layered-structured Ni-rich cathodes can migrate to the anode side and accelerate the failure of lithium-ion batteries. The investigations of the impact and distribution of Ni species on the solid electrolyte interphase (SEI) on the anode are crucial to understand the failure mechanism. Herein, we used time-of-flight secondary ion mass spectroscopy (TOF-SIMS) coupled with multivariate curve resolution (MCR) analysis to intuitively characterize the distribution of Ni species in the SEI. We find that the SEI on the graphite electrode using an EC-based electrolyte exhibits a multi-stratum structure. During accelerated aging of the LiNi 0.88 Co 0.08 Mn 0.04 O 2 /graphite full cell, the dissolution of Ni aggravates significantly upon cycling. A strong correlation between the dissolved-Ni and organic species in the SEI on graphite is illustrated. Here, the ion-exchange reaction between Ni 2+ and Li + ions in the SEI is demonstrated to be the main reason for the increase of SEI resistivity.

25 ENERGY STORAGE↗
DOE OSTI2025

Self‐Lubricating Tribo‐Catalytic Activity of 2D High Entropy Alloy Nanoflakes

High Entropy Alloys (HEAs) have garnered attention due to their remarkable tribological attributes. Predominantly, failure mechanisms in HEAs emanate from stress‐induced dislocations, culminating in crack propagation and film delamination. In this study, we report on the synthesis of 2D HEA of (MoWNbTaV) 0.2 S 2 which facilitates shear‐induced energy dissipation at sliding interfaces. The ball‐on‐disk tribological investigations demonstrate unprecedentedly low average coefficients of friction (0.076) and wear rates (10 −9 mm 3 (N∙m) −1 ) under high contact pressures (0.936 GPa) within ambient conditions. Employing multi‐scale characterizations alongside molecular dynamic simulations, we elucidate that the presence of the HEA triggers tribocatalytic activity under high contact pressures emerging as a pivotal factor in extending lubricant lifespan during tribological tests. The resilient lubriciousness coupled with the facile spray coating methodology of (MoWNbTaV) 0.2 S 2 in ambient environments paves the way for the development of a new class of solid lubricants based on 2D HEA.

2D solid lubricant↗
DOE OSTI2023

Thermal Performance of Perovskite-Based Photovoltaics for Operation in Low Earth Orbit

Perovskite-based photovoltaics are attractive for applications in space. The space environment is harsh with ionizing radiation, atomic oxygen, UV radiation, extreme temperatures, and thermal cycling. Herein, the thermal performance of perovskite active layer and perovskite photovoltaic devices in low earth orbit is analyzed. A 1 μm silicon oxide layer coupled with 500 nm zirconia thin film aid in cell thermal management is determined. The residual stresses between various layers in a device are modeled and it is proved that thermally induced mechanical failure of the perovskite (time > 460 years) is unlikely during operating lifetime of any mission. In conclusion, target power conversion efficiencies are also shared to manage maximum operating temperature of a perovskite-based device.

14 SOLAR ENERGY↗
DOE OSTI2026

Atomic- and Molecular-Scale Interphase Engineering for High-Performance Solid-State Batteries

Solid-state batteries (SSBs) promise a decisive advance beyond conventional Li-ion systems, yet their development remains constrained by persistent solid–solid interfacial instabilities that degrade performance and durability. Interfaces between solid electrolytes and both cathodes and Li metal often exhibit poor wettability, limited physical contact, and high charge–transfer resistance, leading to chemical decomposition, mechanical failure, and impedance growth. Overcoming these limitations requires interphase engineering with atomic-scale precision—capabilities that conventional coating methods cannot reliably deliver. Atomic layer deposition (ALD) and molecular layer deposition (MLD) uniquely meet this need by enabling ultrathin, conformal, and composition-tunable films that stabilize reactive surfaces, suppress parasitic reactions, and regulate Li-metal morphology. Importantly, this Perspective highlights ALD/MLD systems that have already demonstrated effectiveness in liquid-electrolyte cells and discusses how these validated strategies can be deliberately translated to solid-state architectures. By grounding future directions in experimentally proven concepts rather than speculative hypotheses, we outline how atomic- and molecular-scale design principles can accelerate the development of robust, high-performance SSB technologies.

atomic and molecular layer deposition↗
DOE OSTI2021

An exploration of benchtop X–ray emission spectroscopy for precise characterization of the sulfur redox state in cementitious materials

The evolution of sulfur chemistry in cements is best known in the bailiwick of failure mechanisms via sulfate attack but is equally important for its contributions to the reduction capacity of cementitious materials often used for immobilizing nuclear waste streams destined for long-term storage, e.g., cementitious waste forms (CWF). The total reduction capacity of CWFs, encompassing contributions from both S and Fe reductants, and its implications toward radionuclide immobilization is most often studied by destructive wet chemistry methods requiring acid digestion in the presence of Ce(IV) and subsequent titration and colorimetric interpretation. Here, we investigate a similarly analytical but nondestructive alternative, benchtop high resolution wavelength-dispersive x-ray fluorescence spectroscopy, most commonly known as x-ray emission spectroscopy (XES), for probing the bulk sulfur oxidation state distribution. We present here an initial investigation of S XES, including an improved experimental protocol for lab XES of inhomogeneous samples, both as a complement to the Ce(IV) test and for new scientific opportunities that it enables for observing changes in sulfur chemistry. We discuss future improvements and opportunities, including: (1) the practical challenges associated with coordinating XES and Ce(IV) liquid extraction for a more comprehensive perspective on reduction capacity and for a high-precision evaluation of uncertainties in the Ce(IV) test; and (2) new opportunities, due to the nondestructive nature of XES, for controlled evolution studies aimed at elucidating specific chemical responses of CWF’s exposed to invasive gas or liquid species or to accelerated aging by radiative dose or thermal treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Correlating aluminum layer deposition rates, Josephson junction microstructure, and superconducting qubits’ performance

An ultra-thin aluminum oxide layer is a key component for Josephson junctions (JJ) in superconducting quantum bits (qubits). This layer serves as a barrier layer for Cooper pairs tunneling between the superconducting electrodes and significantly influences the overall performance of the junction. In this study, we investigate the impact of aluminum deposition rates on the microstructure and chemical variation of the aluminum oxide layer, as well as the device's yields and qubits’ lifetimes. Surprisingly, although the oxide layer roughness and thickness variation improve noticeably with an increasing Al deposition rate from 0.5 Å/s to 5 Å/s, the qubit's coherence time is almost unchanged. We attribute this to the fact that Cooper pairs tunnel only through the thinnest region of the barrier. Additionally, we revealed a stress-induced grain boundary sliding short-circuit failure mechanism in the JJ. Our discovery provides a vital understanding of oxide microstructure and JJ functionality, which are critical for improving the coherence time of superconducting qubits.

Coherence time↗
DOE OSTI2023

Mechanistic understanding of aging behaviors of critical-material-free Li 4 Ti 5 O 12 //LiNi 0.9 Mn 0.1 O 2 cells with fluorinated carbonate-based electrolytes for safe energy storage with ultra-long life span

Behind-the-meter storage (BTMS) systems - a viable method to minimize potential risk of blackout events and stabilize the grid - require a different type of cost-effective energy storage with excellent safety, ultra-long (>20 years) cycle life and reasonable energy density compared that of electric vehicles. To increase the energy density and reduce the cost of a long-term cyclable lithium-titanate-based cell, it is required to employ a critical-material-free high voltage cathode and an electrolyte with good electrochemical and transport properties. In this report the long-term electrochemical performance and behaviors of selected critical-material-free Li 4 Ti 5 O 12 (LTO)//LiNi 0.9 Mn 0.1 O 2 (LNMO) full cells for BTMS applications are evaluated and analyzed in the optimized voltage range of 1.4-2.7 V at 45 degrees C with different fluorinated carbonate-based electrolytes. The fluoroethylene carbonate (FEC)-based electrolyte cell shows the highest capacity retention of 57.9% and Coulombic efficiency (CE) of 99.96% after 1000 cycles, potentially attributed to a dense, homogenous and less resistive LiF-rich solid-electrolyte interphase (SEI) layer formed on the surface of LTO that may mitigate electrolyte decomposition and maintain relatively low cell impedance during cycling. The 3,3,3-fluoroethylmethyl carbonate (F-EMC)-based electrolyte cell, however, presents the worst performance with lower capacity and a sharp decrease of CE, due to unstable and non-uniform SEI formation and continuous oxidative electrolyte decomposition. This mechanistic understanding of cell aging behaviors and failure mechanisms with detailed analysis of surface chemistry and electrode morphology can guide design of new electrode chemistries and electrolyte formulations for the development of BTMS batteries.

25 ENERGY STORAGE↗