Investigation of battery active nickel oxides Final report
Identification and characterization of battery active compound structures formed on nickel oxide electrode during charging and discharging
BATTERY↗
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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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2,4,6-Triphenylpyridinium-Substituted Neutral Nickel Catalysts: Ethylene Polymerization, Influence of Activator, Catalyst Decomposition, and End-Group Analysis
The reactivity of 2,4,6-triphenylpyridinium-substituted nickel(II)-salicyliminato catalysts in ethylene polymerization has been explored. Here, the known complex 6a equipped with a 2,6-diisopropylphenyl group affords polyethylene with M n = 10-12 kDa at 19 ⁰C, while 8a possessing the bulkier 2,6-diphenylphenyl moiety gives polymer with M n = 270-310 kDa. The stability of catalyst 6a depends on the borane activator. If B(C 6 F 5 ) 3 is employed, enhanced stability is observed compared with using 3H 2 O·B(C 6 F 5 ) 3 activator. Catalyst 6a decomposes forming a hydroxyl-bridged dimer 14 which may be reac-tivated, albeit inefficiently, by excess borane activator. Polymer formed by 6a contains ca. 3-6% of 2-trifluoromethylphenyl, pentafluorophenyl, and 3,5-bis(trifluoromethyl)phenyl end groups combined. The pentafluoro-phenyl end group originates from reaction of 6a with borane activator, and from reactivation of hydroxyl-bridged dimer 14. 3,5-Bis(trifluoromethyl)phenyl end groups are likely formed in a reaction sequence initiated by protonation of one aryl group in NaBArF which creates B[C 6 H 3 (CF 3 ) 2 ] 3 . The triarylborane can then react with 6a or 14 transferring the 3,5-bis(trifluoromethyl)phenyl group to nickel.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Carbonation and Sulfidation of Mg- and Ni-Containing Solutions: Implications for Carbon Mineralization and Critical Element Recovery
Carbonation of alkaline earth metals ( e.g. , magnesium (Mg)) and sulfidation of nickel (Ni) are promising methods to achieve concurrent carbon mineralization and selective Ni recovery. However, the coexistence of alkaline earth metals and Ni from silicate ores or mining wastewater complicates the carbonation and sulfidation owing to cation coprecipitation. To better understand simultaneous metal carbonation and Ni-sulfide formation, we used Mg- and Ni-containing solutions and systematically investigated the Mg and Ni coprecipitates’ phase transformation during sequential/concurrent carbonation and sulfidation. During a single carbonation process, hydromagnesite dehydrated and formed magnesite over time. Nickel bicarbonate formed and became a Mg–Ni carbonate solid solution because of their similar ionic radii. During a single sulfidation process, the pH did not affect Ni-sulfide formation, but it controlled Mg behavior. Specifically, at pH 9.6, brucite formed, while at pH 7.8, Mg 2+ remained in the solution. For the sequential carbonation–sulfidation process, Ni-carbonate formed during carbonation converted to Ni-sulfide because of the low Ni-sulfide K sp . For the sulfidation–carbonation process, Ni-sulfide remained the same even after carbonation and Mg-carbonate precipitates. For the concurrent carbonation and sulfidation process, Mg-carbonate and Ni-sulfide formed simultaneously. Finally, this study develops a scientific foundation of carbonation and sulfidation processes, benefiting coupled CO 2 storage and sulfide-enabled resource recovery.
54 ENVIRONMENTAL SCIENCES↗
Binding of nickel /II/ to 5-prime-nucleoside monophosphates and related compounds
The interactions of Ni(II) cation with a representative suite of purine bases and the respective nucleosides and nucleotides have been studied by ultraviolet difference spectroscopy. Apparent association constants were determined for each system at pH 7.0, using computer linear regression coupled with an iteration technique. The specificity of binding of Ni(2+) for the purine nucleotides studied at pH 7.0 was 5-prime-GMP greater than 5-prime-AMP; a similar ordering was also found for the respective nucleosides and bases. In this study binding was not observed for the suite of pyramidines used, although an Ni(2+) -cytidine complex has been observed (Fiskin and Beer, 1965). It was also found that Ni(2+) bound more strongly to the purine 5-prime-nucleotides than to the respective nucleosides and bases. These trends are explained in terms of metal-ligand bonds and available bonding positions on the ligands. A role for metal-ion-nucleotide types of complexes is suggested in the processes that might have given rise to the origin of life.
Orenberg, J. B.↗
A magnetostatic-coupling based remote query sensor for environmental monitoring
A new type of in situ, remotely monitored magnetism-based sensor is presented that is comprised of an array of magnetically soft, magnetostatically-coupled ferromagnetic thin-film elements or particles combined with a chemically responsive material that swells or shrinks in response to the analyte of interest. As the chemically responsive material changes size the distance between the ferromagnetic elements changes, altering the inter-element magnetostatic coupling. This in turn changes the coercive force of the sensor, the amplitude of the voltage spikes detected in nearby pick-up coils upon magnetization reversal and the number of higher-order harmonics generated by the flux reversal. Since the sensor is monitored through changes in magnetic flux, no physical connections such as wires or cables are needed to obtain sensor information, nor is line of sight alignment required as with laser telemetry; the sensors can be detected from within sealed, opaque or thin metallic enclosures.
NASA Discipline Life Sciences Technologies↗
Revealing Local Structures through Machine-Learning-Fused Multimodal Spectroscopy
Atomistic structures of materials offer valuable insights into their functionality. Determining these structures remains a fundamental challenge in materials science, especially for systems with defects. While both experimental and computational methods exist, each has limitations in resolving nanoscale structures. Core-level spectroscopies, such as X-ray absorption (XAS) or electron energy-loss spectroscopies (EELS), have been used to determine the local bonding environment and structure of materials. Recently, machine learning (ML) methods have been applied to extract structural and bonding information from XAS/EELS data. However, frameworks relying solely on a single data stream, defined as characterization data derived from a single element using one technique, are often insufficient because multiple local environments can yield similar spectral features, making it challenging to differentiate between competing structural hypotheses. Here, in this work, we address this challenge by integrating multimodal ab initio simulations, experimental data acquisition, and ML techniques for structure characterization. Our goal is to determine local structures and properties using EELS and XAS data from multiple elements and edges. To showcase our approach, we use various lithium nickel manganese cobalt (NMC) oxide compounds which are used for lithium ion batteries, including those with oxygen vacancies and antisite defects, as the sample material system. We successfully inferred local element content, ranging from lithium to transition metals, with quantitative agreement with experimental data. Beyond local element inference, we find that ML model based on multimodal spectroscopic data is able to determine whether local defects such as oxygen vacancy and antisites are present, a task which is impossible for single mode spectra or other experimental techniques. Furthermore, our framework is able to provide physical interpretability, bridging spectroscopy with the local atomic and electronic structures.
battery↗
An assessment of near-earth asteroid resources
On the basis of remote-sensing evidence and meteorite studies, a substantial fraction of small asteroids in near-earth space should contain abundant volatile (water, carbon, carbon compounds) and/or free metal (nickel-iron) materials. Although there are only about 40 known earth-approaching asteroids, this number could be increased by at least an order of magnitude in a few years by a dedicated search program with a large telescope (48 in. Schmidt). A discovery rate of 20 objects/yr could be expected from a facility costing about $3 million to establish. Relatively high-resolution, broad-wavelength coverage reflectance spectra could be made for many of these objects with a large telescope and instruments under development. Such spectra are necessary for detailed mineralogic, characterizations of these asteroids. Low-resolution survey survey spectra with similar wavelength coverage (UBVRIJHK filters) would provide useful characterizations of fainter objects.
Gaffey, M. J.↗
A review of rapid solidification studies of intermetallic compounds
A review of rapid solidification studies of high-temperature ordered intermetallic compounds is presented. Emphasis is on the nickel - and iron- aluminides which are of potential interest as structural materials. The nickel-base aluminides which have been rapidly solidified exhibit changes in grain size, compositional segregation, and degree of long range order (as reflected in APB size and distribution) which markedly affect mechanical properties. Some experiments indicate the formation of a metastable L1(2) phase in rapidly solidified Fe-(Ni,Mn)-Al-C alloys, while other work observes only a metastable fcc phase in the same composition range. The metastable phases and/or microstructures in both nickel and iron aluminides are destroyed by annealing at temperatures above 750 K, with subsequent degradation of mechanical properties. Rapid solidification studies of several other intermetallic compounds are briefly noted.
Koch, C. C.↗
High-Strength, Superelastic Compounds
In a previous disclosure, the use of 60- NiTiNOL, an ordered intermetallic compound composed of 60 weight percent nickel and 40 weight percent titanium, was investigated as a material for advanced aerospace bearings due to its unique combination of physical properties. Lessons learned during the development of applications for this material have led to the discovery that, with the addition of a ternary element, the resulting material can be thermally processed at a lower temperature to attain the same desirable hardness level as the original material. Processing at a lower temperature is beneficial, not only because it reduces processing costs from energy consumption, but because it also significantly reduces the possibility of quench cracking and thermal distortion, which have been problematic with the original material. A family of ternary substitutions has been identified, including Hf and Zr in various atomic percentages with varying concentrations of Ni and Ti. In the present innovation, a ternary intermetallic compound consisting of 57.6 weight percent Ni, 39.2 weight percent Ti, and 3.2 weight percent Hf (54Ni-45Ti-1Hf atomic percent) was prepared by casting. In this material, Hf substitutes for some of the Ti atoms in the material. In an alternate embodiment of the innovation, Zr, which is close in chemical behavior to Hf, is used as the substitutional element. With either substitution, the solvus temperature of the material is reduced, and lower temperatures can be used to obtain the necessary hardness values. The advantages of this innovation include the ability to solution-treat the material at a lower temperature and still achieve the required hardness for bearings (at least 50 Rockwell C) and superelastic behavior with recoverable strains greater than 2%. Most structural alloys will not return to their original shape after being deformed as little as 0.2% (a tenth of that possible with superelastic materials like 60 NiTiNOL). Because lower temperatures can be used in the heat treatment process, less energy will be consumed, and there will be less dimensional distortion and quench cracking. This results in fewer scrap parts, less material waste from large amounts of material removal, and fewer machining steps to rework parts that are out of specification. This material has a combination of properties that have been previously unobtainable. The material has a Young s modulus of approximately 95 GPa (about half that of conventional steels), moderate density (10 to 15% lower than conventional steels), excellent corrosion resistance, and high hardness (58 to 62 HRC). These properties make this material uniquely suited for advanced bearings.
Stanford, Malcolm↗
Method of making a light weight battery plaque
A nickel plaque which may be coated with a suitable metal or compound to make an electrode for a fuel cell or battery is fabricated by directing nickel sensitizer, catalyst and plating solutions through a porous plastic substrate in the order named and at prescribed temperatures and flow rates. A boride compound dissolved in the plating solution decreases the electrical resistance of the plaque. Certain substrates may require treatment in an alkali solution to dissolve filler materials thereby increasing porosity to a required 65%.
Reid, M. A.↗
Thermal Conductivity of Ethylene Vinyl Acetate Copolymer/Nanofiller Blends
To reduce weight and increase the mobility, comfort, and performance of future spacesuits, flexible, thermally conductive fabrics and plastic tubes are needed for the Liquid Cooling and Ventilation Garment. Such improvements would allow astronauts to operate more efficiently and safely for extended extravehicular activities. As an approach to raise the thermal conductivity (TC) of an ethylene vinyl acetate copolymer (Elvax(TM)260), it was compounded with three types of carbon based nanofillers: multi-walled carbon nanotubes (MWCNTs), vapor grown carbon nanofibers (CNFs), and expanded graphite (EG). In addition, other nanofillers including metallized CNFs, nickel nanostrands, boron nitride, and powdered aluminum were also compounded with Elvax(TM) 260 in the melt at various loading levels. In an attempt to improve compatibility between Elvax 260 and the nanofillers, MWCNTs and EG were modified by surface coating and through noncovalent and covalent attachment of organic molecules containing alkyl groups. Ribbons of the nanocomposites were extruded to form samples in which the nanofillers were aligned in the direction of flow. Samples were also fabricated by compression molding to yield nanocomposites in which the nanofillers were randomly oriented. Mechanical properties of the aligned samples were determined by tensile testing while the degree of dispersion and alignment of nanoparticles were investigated using high-resolution scanning electron microscopy. TC measurements were performed using a laser flash (Nanoflash(TM)) technique. TC of the samples was measured in the direction of, and perpendicular to, the alignment direction. Additionally, tubing was also extruded from select nanocomposite compositions and the TC and mechanical flexibility measured.
Ghose, Sayata↗
Thermal Conductivity of Ethylene Vinyl Acetate Copolymer/Nanofiller Blends
To reduce weight and increase the mobility, comfort, and performance of future spacesuits, flexible, thermally conductive fabrics and plastic tubes are needed for the Liquid Cooling and Ventilation Garment. Such improvements would allow astronauts to operate more efficiently and safely for extended extravehicular activities. As an approach to raise the thermal conductivity (TC) of an ethylene vinyl acetate copolymer (Elvax 260), it was compounded with three types of carbon based nanofillers: multi-walled carbon nanotubes (MWCNTs), vapor grown carbon nanofibers (CNFs), and expanded graphite (EG). In addition, other nanofillers including metallized CNFs, nickel nanostrands, boron nitride, and powdered aluminum were also compounded with Elvax 260 in the melt at various loading levels. In an attempt to improve compatibility between Elvax 260 and the nanofillers, MWCNTs and EG were modified by surface coating and through noncovalent and covalent attachment of organic molecules containing alkyl groups. Ribbons of the nanocomposites were extruded to form samples in which the nanofillers were aligned in the direction of flow. Samples were also fabricated by compression molding to yield nanocomposites in which the nanofillers were randomly oriented. Mechanical properties of the aligned samples were determined by tensile testing while the degree of dispersion and alignment of nanoparticles were investigated using high-resolution scanning electron microscopy. TC measurements were performed using a laser flash (Nanoflash ) technique. TC of the samples was measured in the direction of, and perpendicular to, the alignment direction. Additionally, tubing was also extruded from select nanocomposite compositions and the TC and mechanical flexibility measured.
Ghose, S.↗
Thermal Conductivity of Ethylene Vinyl Acetate Copolymer/Carbon Nanofiller Blends
To reduce weight and increase the mobility, comfort, and performance of future spacesuits, flexible, thermally conductive fabrics and plastic tubes are needed for the Liquid Cooling and Ventilation Garment. Such improvements would allow astronauts to operate more efficiently and safely for extended extravehicular activities. As an approach to raise the thermal conductivity (TC) of an ethylene vinyl acetate copolymer (Elvax 260), it was compounded with three types of carbon based nanofillers: multi-walled carbon nanotubes (MWCNTs), vapor grown carbon nanofibers (CNFs), and expanded graphite (EG). In addition, other nanofillers including metallized CNFs, nickel nanostrands, boron nitride, and powdered aluminum were also compounded with Elvax 260 in the melt at various loading levels. In an attempt to improve compatibility between Elvax 260 and the nanofillers, MWCNTs and EG were modified by surface coating and through noncovalent and covalent attachment of organic molecules containing alkyl groups. Ribbons of the nanocomposites were extruded to form samples in which the nanofillers were aligned in the direction of flow. Samples were also fabricated by compression molding to yield nanocomposites in which the nanofillers were randomly oriented. Mechanical properties of the aligned samples were determined by tensile testing while the degree of dispersion and alignment of nanoparticles were investigated using high-resolution scanning electron microscopy. TC measurements were performed using a laser flash (Nanoflash ) technique. TC of the samples was measured in the direction of, and perpendicular to, the alignment direction. Additionally, tubing was also extruded from select nanocomposite compositions and the TC and mechanical flexibility measured.
Ghose, S.↗
PROPERTIES OF NICKEL-THORIA ALLOYS PREPARED BY THERMAL DECOMPOSITION OF THORIUM NITRATE
Properties of nickel-thoria alloys prepared by thermal decomposition of thorium nitrate
DECOMPOSITION↗
Hydrotreatment of Nylon 66 and Amide Model Compounds Over Sulfided NiMo Catalysts
Molybdenum sulfide-based catalysts, such as nickel–molybdenum on alumina (NiMoS x /Al 2 O 3 ), are widely used in hydrotreating and have potential for catalyzing waste plastic conversion via hydrogenolysis, yet their performance, such as reaction kinetics and network, for amide-rich polymer feeds is poorly defined. Here we combine Nylon 66 with the amide model compound, N,N-dibutylhexanediamide (DBDAD), to quantify hydrodeoxygenation (HDO) and hydrodenitrogenation (HDN) chemistry in a stirred batch reactor (53 bar H 2 , 280–320°C). DBDAD conversion is near-linear with time, indicating strong adsorption of the substrates on the active sites. Time-resolved product identification indicates parallel C─O first-cleavagedeoxygenation (DO) and C─N first-cleavagedenitrogenation (DN) sequences proceeding through amine and diol intermediates, respectively, to C 4 ─C 6 alkanes. Increasing temperature shifts selectivity toward DN, decreasing the initial r(DO)/r(DN) from 1.38 (280°C) to 0.69 (320°C), with an apparent activation energy of 173 kJ mol −1 for DBDAD conversion. At 300°C, nylon 66 converts faster than DBDAD, producing a complex mixture of oxygen- and nitrogen-containing species and an initial rate ratio r(DO)/r(DN) of 1.6. No heteroaromatic nitrogen products are detected by the method used. These results provide reaction pathways and product signatures relevant to hydro-processing catalysts exposed to polyamide-derived streams.
Nylon 66↗
Interstellar molecules - Origin by catalytic reactions on grain surfaces
To determine the compound distribution formed by surface catalysis, mixtures of CO, D2, and ND2 were heated with nickel-iron or montmorillonite clay catalysts for 49-214 hours at 250 to 300 C. Compounds identified include most of the known polyatomic interstellar molecules, as well as homologous series of acetylenes, dienes, alcohols, aldehydes, ketones, ethers, esters, nitriles, amines, etc., and cyclic compounds such as furans and pyrroles. These homologous series are uniquely characteristic of surface catalysis. A search for the heavier members of these series, predicted to occur at 1/10th to 1/1,000th the abundance of the lightest members, thus comprises a crucial test of this mechanism.
Anders, E.↗
Superalloy for high-temperature hydrogen environmental applications
A nickel-based superalloy is provided which is resistant to deterioration in hydrogen at high operating temperatures and pressures, and which thus can be used in hydrogen-fueled spacecraft such as the Space Shuttle. The superalloy is characterized by a two-phase microstructure and consists of a gamma-prime precipitated phase in a gamma matrix. The gamma matrix phase is a primary solid solution and the gamma precipitated phase will be an intermetallic compound of the type A.sub.3 B, such as nickel aluminide or titanide. Both phases are coherent, ordered, and compatible, and thus will retain most of their strength at elevated temperatures. The alloy consists essentially of (by weight): Ni 50-60%, Cr 10-20%, Al 2-6%, Co 2-5%, Ti 3-8%, W 5-12%, Mo 5-10%, Nb 1-3%, wherein the ratio W/MO is approximately equal to 1, and Ti/Al ranges from about 1 to about 2.
McKannan, Eugene C.↗