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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Systematic Study of Different Anion Doping on the Electrochemical Performance of Cobalt-Free Lithium–Manganese-Rich Layered Cathode

Regardless of the appealingly high energy density (1000 Wh kg –1 ) of the lithium–manganese-rich layered oxide cathode (LMR-NMO), this material still suffers from rapid capacity and voltage decay after continuous cycling. LMR-NMO involves the redox reaction of both transition metals and oxygen to gain additional capacity in comparison with a conventional NMC cathode. Due to the use of a high voltage range (beyond 4.4 V), the oxygen release from the structure initiates and in turn generates intergranular cracks and spinel formation, consequently, into rock-salt structure. Here, LMR-NMO with different doping ranges (1–5 mol %) of F, S, and Cl are being examined to summarize the benefits and drawbacks of each anion. This study shows that F is the best candidate as it increases average voltage (voltage retention 96–97% after 200 cycles at 0.5 C), improves ionic conductivity (nearly two times higher than pristine), reduces cation mixing, minimizes oxygen release, and offers high stability during high temperature cycle. However, for S and Cl, the results are conflicted. An optimal amount of anion dopants should be considered as the side effects might overcome the benefits when the doping amount is excessive.

25 ENERGY STORAGE↗
DOE OSTI2024

Electro-Chemo-Mechanical Evolution at the Garnet Solid Electrolyte–Cathode Interface

Solid-state batteries promise higher energy density and improved safety compared with lithium-ion batteries. However, electro-chemomechanical instabilities at the solid electrolyte interface with the cathode and the anode hinder their large scale implementation. Here, in this study, we focus on resolving electro-chemo-mechanical instability mechanisms and their onset conditions between a state-of-the-art cathode, LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622), and the garnet Li 7 La 3 Zr 2 O 12 (LLZO) solid electrolyte. We used thin-film NMC622 on LLZO pellets to place the interfacial region within the detection depth of the X-ray characterization techniques. The experimental probes of the near-interface region included in operando X-ray absorption spectroscopy and ex situ focused ion beam scanning electron microscopy. Electrochemical degradation was not observable during cycling at room temperature with 4.3 V versus Li/Li + charge voltage cutoff, or with stepwise potentiostatic hold up to 4.1 V versus Li/Li + . In contrast, secondary phases including reduced transition metal species (Ni 2+ , Co 2+ ) were found after cycling up to 4.3 V versus Li/Li + at 80 °C and during potentiostatic hold at 4.3 V versus Li/Li + (Ni 2+ ). Intergranular cracks between NMC622 grains and delamination at the NMC622|LLZO interface occurred readily after the first charge. These interface reaction products and mechanical failure lowered the capacity and cell efficiency due to partial loss of the NMC622 phase, partial loss of contact at the interface, and a higher polarization resistance. Electrochemical instability between delithiated NMC622 and LLZO could be mitigated by using a low charge voltage cutoff or cycling at lower temperature. Ways to engineer the mechanical properties to avoid crack deflection and delamination at the interface are also discussed for enhancing mechanical stability.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Reactive boride infusion stabilizes Ni-rich cathodes for lithium-ion batteries

Engineered polycrystalline electrodes are critical to the cycling stability and safety of lithium-ion batteries, yet it is challenging to construct high-quality coatings at both the primary- and secondary-particle levels. Here, we present a room-temperature synthesis route to achieve full surface coverage of secondary particles and facile infusion into grain boundaries, thus offering a complete “coating-plus-infusion” strategy. Cobalt boride metallic glass is successfully applied to Ni-rich layered cathode LiNi 0.8 Co 0.1 Mn 0.1 O 2 . Here, it dramatically improves the rate capability and cycling stability, including under high-discharge-rate and elevated-temperature conditions and in pouch full cells. The superior performance originates from simultaneous suppression of microstructural degradation of intergranular cracking and side reactions with electrolyte. Atomistic simulations identified the critical role of strong selective interfacial bonding, which offers not only a large chemical driving force to ensure uniform reactive wetting and facile infusion but also lowered the surface/interface oxygen activity, contributing to the exceptional mechanical and electrochemical stabilities of the infused electrode.

25 ENERGY STORAGE↗
DOE OSTI2021

Ultra-high-voltage Ni-rich layered cathodes in practical Li metal batteries enabled by a sulfonamide-based electrolyte

By increasing the charging voltage, a cell specific energy of >400 Wh kg-1 is in principle achievable with LiNi0.8Mn0.1Co0.1O2 in lithium-metal batteries (LMBs). However, stable cycling of high-nickel cathodes at ultra-high voltages is extremely challenging. Here we report that a rationally designed sulfonamide-based electrolyte enables stable cycling of commercial LiNi0.8Co0.1Mn0.1O2 with a cut-off voltage up to 4.7 V in LMBs. In contrast to commercial carbonate electrolytes, the electrolyte not only suppresses side reactions, intergranular cracking, transition-metal dissolution, and impedance growth on the cathode side, but also enables highly reversible Li metal stripping and plating leading to compact morphology and low pulverization. Our LMB delivers a specific capacity >230 mAh g-1 and an average Coulombic efficiency >99.65% over 100 cycles. Even under harsh testing conditions, the 4.7 V LMB can retain >88% capacity for 90 cycles, demonstrating significant advances in practical LMBs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Stabilizing Cathode–Electrolyte Interphase of Nickel-Rich Single-Crystal Cathodes for Lithium-Ion Batteries

Nickel-rich single-crystal (SC) layered oxides are promising cathode candidates for next-generation lithium-ion batteries (LIBs) owing to their high energy density and structural robustness against intergranular cracking. However, their intrinsic surface reactivity with liquid electrolytes accelerates parasitic reactions at the cathode–electrolyte interphase (CEI), leading to transition-metal dissolution, gas generation, and impedance buildup. In this work, we synthesized SC-Li x Ni 0.9 Mn 0.05 Co 0.05 O 2 (NMC9055, 1 ≤ x ≤ 1.2) using a eutectic-assisted method and investigated interface stabilization strategies. A nickel-deficient Li x Ni 0.6 Mn 0.2 Co 0.2 O 2 (NMC622, 1 ≤ x ≤ 1.2) coating was applied via evaporation-based deposition to suppress CEI degradation pathways. Structural and compositional analyses confirmed uniform shell formation and preserved particle integrity. Half-cell electrochemical testing against lithium metal revealed ∼10% higher capacity retention and improved reversibility compared with pristine SC NMC9055, particularly under high-voltage operation. In conclusion, these results highlight the critical role of controlled surface chemistry in mitigating CEI instability in nickel-rich SC cathodes, offering a pathway toward enabling durable high-energy LIBs.

Coating processes↗
DOE OSTI2021

Wide-blocky veins explained by dependency of crystal growth rate on fracture surface type: Insights from phase-field modeling

Vein microstructures contain a wealth of information on coupled chemical and mechanical processes of fracturing, fluid transport, and crystal growth. Numerical simulations have been used for exploring the factors controlling the development of vein microstructures; however, they have not been quantitatively validated against natural veins. Here we combined phase-field modeling with microtextural analysis of previously unexplained wide-blocky calcite veins in natural limestone and of the fresh fracture surface in this limestone. Results show that the wide-blocky vein textures can only be reproduced if ~10%–20% of crystals grow faster than the rest. This fraction corresponds to the amount of transgranularly broken grains that were observed on the experimental fracture surfaces, which are dominantly intergranular. We hypothesize that transgranular fractures allow faster growth of vein minerals due to the lack of clay coatings and other nucleation discontinuities that are common along intergranular cracks. Our simulation results show remarkable similarity to the natural veins and reproduce the nonlinear relationship between vein crystal width and vein aperture. This allows accurate simulations of crystal growth processes and related permeability evolution in fractured rocks.

Geology↗
DOE OSTI2026

Unraveling Grain Boundary Instability in Dense Proton-Conducting Oxides

The long-term stability of protonic ceramic electrolysis cell (PCEC) materials under high-steam operating conditions remains a critical barrier to device commercialization. Here, we investigate the fundamental degradation mechanisms of dense BaCe 0.7 Zr 0.1 Y 0.1 Yb 0.1 O 3-δ (BCZYYb) electrolytes operated at 550 °C, 50% H 2 O in air. Over 1,000 h, the total electrolyte conductivity decreases by 11.1%, driven primarily by a >130% increase in grain-boundary resistivity. Post-mortem analyses reveal that damage is localized to near-surface grain boundaries extending ∼50 μm into the dense electrolyte pellet. This surface localization indicates that degradation is likely to be severe in thin, device-level electrolytes. Degradation is primarily attributed to chemo-mechanical grain-boundary weakening arising from hydration-induced chemical expansion, culminating in the formation of intergranular cracks oriented parallel to the pellet surface. These internal cracks subsequently react with steam and/or CO 2 , leading to the formation of nanoscale insulating phases, including Ba(OH) 2 , nanocrystalline BaCO 3 , and amorphous Ce/Zr/Y/Yb-containing oxides or hydroxycarbonates. After an initial degradation period of approximately 200 h, the overall conductivity stabilizes. Incorporating NiO sintering aids reduces grain-boundary density by an order of magnitude under identical sintering conditions. Although addition of NiO increases the initial resistivity by >160% at 550 °C, it substantially suppresses grain-boundary instability and mitigates chemical degradation. These findings underscore the urgent need for chemical and/or physical stabilization of BCZYYb electrolytes and offer design guidelines to enable durable, high-performance PCECs.

08 HYDROGEN↗
NASA NTRS1975

Corrosion and fatigue of surgical implants

Implants for the treatment of femoral fractures, mechanisms leading to the failure or degradation of such structures, and current perspectives on surgical implants are discussed. Under the first heading, general usage, materials and procedures, environmental conditions, and laboratory analyses of implants after service are considered. Corrosion, crevice corrosion, stress corrosion cracking, intergranular corrosion, pitting corrosion, fatigue, and corrosion fatigue are the principal degradation mechanisms described. The need for improvement in the reliability of implants is emphasized.

Lisagor, W. B.↗
NASA NTRS1984

Hot Microfissuring in Nickel Alloy

Experiments in intergranular cracking of nickel alloy near solidus temperature discussed in contractor report. Purpose of investigation development of schedule for welding, casting, forging, or other processing of alloy without causing microfissuring.

Thompson, R. G.↗
NASA NTRS1984

Microfissuring in Alloys During Welding

Evaluating cause of intergranular cracking (microfissuring) in high-temperature alloys during welding done by measuring number of microcracks as function of temperature and plastic strain. Two mechanisms of microfissuring in heat-affected zones suggested.

Source record↗
NASA NTRS1984

Low cycle fatigue behavior of conventionally cast MAR-M 200 AT 1000 deg C

The low cycle fatigue behavior of the nickel-based superalloy MAR-M 200 in conventionally cast form was studied at 1000 C. Continuous cycling tests, without hold times, were conducted with inelastic strain ranges of from 0.04 to 0.33 percent. Tests were also conducted which included a hold time at peak strain in either tension or compression. For the conditions studied, it was determined that imposition of hold times did not significantly affect the fatigue life. Also, for continuous cycling tests, increasing or decreasing the cycle frequency did not affect life. Metallographic analysis revealed that the most significant damage mechanism involved environmentally assisted intergranular crack initiation and propagation, regardless of the cycle type. Changes in the gamma morphology (rafting and rod formation) were observed, but did not significantly affect the failure.

Milligan, W. W.↗
NASA NTRS1985

A potentiodynamic study of aluminum-lithium alloys in an aqueous sodium chloride environment

The characteristics of the potentiodynamic curves for Al-Li alloys in 3.5 percent NaCl aqueous solution are explained and the electrochemical parameters of the potentiodynamic technique are correlated to observed pitting and intergranular cracking behavior. It is shown that the oxygen content of the sodium chloride electrolyte plays an important role in the electrochemical behavior of Al-Li alloys. The potentiodynamic behavior of the alloys is found to be insensitive to variation in compositional content and heat treatment, both of which affect the stress-corrosion behavior. Stringer oxide particle attack and random pitting are observed. It is shown that alternate-immersion exposure prior to potentiodynamic polarization may offer a means of assessing susceptibility to stress-corrosion cracking.

Tsao, C.-H. T.↗
NASA NTRS1985

Impact wear of iron rich superalloys

The impact-sliding wear resistance of chill cast and aligned eutectic Fe-base superalloys against M42 and 17-4 PH steel counterface materials is examined. The aligned material tests were run with carbide fibers perpendicular to the counterface contact surface and the characterization focused on fracture processes as observed in the subsurface microstructure of the worn materials. Metallographic analyses were performed on specimens exposed to various numbers of repetitive impact load cycles, and for comparison, two other aligned composites were tested with the same fiber orientation under identical test conditions against hardened M42 tool steel. A strong improvement was found in wear resistance of an aligned eutectic structure as compared to the corresponding randomized chill cast structure. Experiments with the softer 17-4 counterface were characterized by transfer onto the Fe-base superalloy, and the cracks formed were oriented transverse to the relative sliding direction and occurred in a periodic fashion. Observations in subsurface regions of the worn materials indicated crack intergranularity with an occasional transgranular fracture of the M7C3 carbide phase.

Wayne, S. F.↗
NASA NTRS1988

Use of pure nickel and LiOH for thermal energy storage

The solid to liquid phase transformation of LiOH has been proposed as an ideal candidate thermal energy storage media for a Rankine Cycle powered electrical generation unit envisioned in Space Station based solar dynamic systems. Due to the corrosive nature of molten hydroxides, long term containment of LiOH is of concern. Pure nickel is thought to be a suitably resistant material, and a program has been instituted to measure the effects of prolonged exposure of liquid and gaseous LiOH on the mechanical properties of pure nickel alloys. Results to date indicate that negligible weight and thickness changes occurred in Ni alloys exposed to LiOH for as long as 2500 hr at 775 K, and essentially no difference in 77-900 K tensile properties could be detected between LiOH exposed and vacuum annealed Ni specimens. Although there was little sign of outward damage, microstructural examination revealed that all hydroxide contaminated tensile test specimens had surface connected intergranular cracks along the gage lengths. Two other potential problems, which have strong implications with respect to a LiOH/Ni energy storage system, were also noted during the corrosion experiments. In particular stress corrosion cracking of weld joints in pressurized vessel and permeation of hydrogen through nickel were observed.

Whittenberger, J. D.↗
NASA NTRS1996

Microalloying Improves the Low-Cycle Fatigue Behavior of Powder-Extruded NiAl

There is considerable interest in developing new structural materials in which high use temperatures and strength, coupled with low density, are the minimum requirements. The goal for these new materials is to provide operation well beyond the working range of conventional superalloys. Of the many intermetallics under consideration, NiAl is one of the few systems that has emerged as a promising candidate for further development. This is because of a number of property advantages--including low density, high melting temperature, high thermal conductivity, and excellent environmental resistance. However, binary NiAl lacks strength and creep resistance at elevated temperatures. Also, its poor high-temperature strength results in worse-than-predicted low-cycle fatigue (LCF) lives at low strain ranges at 727 C (1341 F) because of accelerated creep damage mechanisms that result in significant intergranular cracking. One approach for improving these properties involves microalloying NiAl with either Zr or N. As an integral part of this alloy-development program at the NASA Lewis Research Center, the low-cycle fatigue behavior of Zr- and N-doped nickel aluminides produced by extrusion of prealloyed powders was investigated and compared with similarly processed binary NiAl.

Source record↗
NASA NTRS2007

Validation Test Results for Orthogonal Probe Eddy Current Thruster Inspection System

Recent nondestructive evaluation efforts within NASA have focused on an inspection system for the detection of intergranular cracking originating in the relief radius of Primary Reaction Control System (PCRS) Thrusters. Of particular concern is deep cracking in this area which could lead to combustion leakage in the event of through wall cracking from the relief radius into an acoustic cavity of the combustion chamber. In order to reliably detect such defects while ensuring minimal false positives during inspection, the Orthogonal Probe Eddy Current (OPEC) system has been developed and an extensive validation study performed. This report describes the validation procedure, sample set, and inspection results as well as comparing validation flaws with the response from naturally occuring damage.

Wincheski, Russell A.↗
NASA NTRS2007

Dynamics of Nanoscale Grain-Boundary Decohesion in Aluminum by Molecular-Dynamics Simulation

The dynamics and energetics of intergranular crack growth along a flat grain boundary in aluminum is studied by a molecular-dynamics simulation model for crack propagation under steady-state conditions. Using the ability of the molecular-dynamics simulation to identify atoms involved in different atomistic mechanisms, it was possible to identify the energy contribution of different processes taking place during crack growth. The energy contributions were divided as: elastic energy, defined as the potential energy of the atoms in fcc crystallographic state; and plastically stored energy, the energy of stacking faults and twin boundaries; grain-boundary and surface energy. In addition, monitoring the amount of heat exchange with the molecular-dynamics thermostat gives the energy dissipated as heat in the system. The energetic analysis indicates that the majority of energy in a fast growing crack is dissipated as heat. This dissipation increases linearly at low speed, and faster than linear at speeds approaching 1/3 the Rayleigh wave speed when the crack tip becomes dynamically unstable producing periodic dislocation bursts until the crack is blunted.

Yamakov, V.↗
DOE OSTI2022

The Complexity and Challenges of Irradiation-Induced Phase Instability Phenomenon in Nuclear Power Plant Components

High energy irradiation by neutrons or ions of metastable austenitic 300-series steels appears to initiate formation of bcc-phases with different morphology and elemental composition compared to that of retained ferrite. Extensive formation of specific Fe-rich ferrite was observed on the grain boundaries of annealed Russian steel 12Cr18Ni10Ti, an analog of AISI 321, after irradiation in the center-core region of sodium-cooled BN-350 fast reactor (SFR) doses up to 57 dpa at ~1×10-6dpa/sec. The ferrite fraction determined from scanning electron microscopy (SEM) closely matched the magnetic fraction determined using a ferritscope confirmed by X-ray diffraction analysis and selected area diffraction patterns. Chemical composition of the secondary phases was determined by energy dispersive X-ray analysis using transmission electron microscope, showing Fe-rich ferrite domains. Fe-ion irradiation (2.3 MeV) was used to study the accumulation of ferrite and martensite phases at higher dpa rates. The very high etchability of these ferrite particles in alcohol-based solutions may signal a very high etching in hot water, leading to accelerated intergranular cracking, especially upon long-term exposure during extended plant lifetimes.

D a, Merezhko↗