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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Corrosion of oxide dispersion strengthened iron–chromium steels and tantalum in fluoride salt coolant: An in situ compatibility study for fusion and fusion–fission hybrid reactor concepts

Primary candidate classes of materials for future nuclear power plants, whether they be fission, fusion or hybrids, include oxide dispersion strengthened (ODS) ferritic steels which rely on a dispersion of nano-oxide particles in the matrix for both mechanical strength and swelling resistance, or tantalum alloys which have an inherent neutron-induced swelling resistance and high temperature strength. For high temperature operation, eutectic molten lithium containing fluoride salts are attractive because of their breeding capability as well as their relatively high thermal capacity, which allow for a higher average operating temperature that increases power production. In this paper we test the compatibility of Flinak (LiF–NaF–KF) salts on ODS steels, comparing the performance of current generation ODS steels developed at Kyoto University with the commercial alloy MA956. Additionally, pure tantalum was also tested for comparative purposes. In situ data was obtained for temperatures ranging from 600 to 900 °C using a custom-built high temperature electrochemical impedance spectroscopy cell. Results for ODS steels show that steel/coolant interfacial resistance increases from 600 to 800 °C due to an aluminum enriched layer forming at the surface, however an increase in temperature to 900 °C causes this layer to break up and aggressive attack to occur. Performance of current generation ODS steels surpassed that of the MA956 ODS steel, with an in situ impedance behavior similar or better than that of pure tantalum.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Compatibility of detached divertor operation with robust edge pedestal performance

Here the compatibility of detached radiative divertor operation with a robust H-mode pedestal is examined in DIII-D. A density scan produced low temperature plasmas at the divertor target, T e $\leqslant$ 2 eV, with high radiation leading to a factor of $\geqslant$4 drop in peak divertor heat flux. The cold radiative plasma was confined to the divertor and did not extend across the separatrix in X-point region. A robust H-mode pedestal was maintained with a small degradation in pedestal pressure at the highest densities. The response of the pedestal pressure to increasing density is reproduced by the EPED pedestal model. However, agreement of the EPED model with experiment at high density requires an assumption of reduced diamagnetic stabilization of edge Peeling–Ballooning modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Chemical interaction and compatibility of uranium mononitride and alumina forming austenitic stainless steel

Uranium mononitride (UN) and alumina forming austenitic (AFA) stainless steel are a potential fuel-cladding combination for the lead-cooled fast reactor (LFR). Chemical compatibility between UN and AFA steel needs to be verified before implementation in a nuclear reactor. Diffusion couple experiments at 823 K and 1023 K were conducted for nonirradiated UN samples in contact with as-cast (no thermally grown Al 2 O 3 ) and preoxidized (with thermally grown Al 2 O 3 ) AFA for 500 and 1000 h in an inert environment. Preoxidized AFA exhibited little to no interaction with all UN samples tested at both 823 K and 1023 K, displaying the stability and capability of the Al 2 O 3 layer to prevent chemical interaction and inter-diffusion with UN. Chemical interaction occurs between UN and as-cast AFA. At 1023 K, an aluminum and nitrogen rich phase (likely AlN) formed along the interface of as-cast AFA and UN samples. At 823 K the AlN phase was not prominently observed due to the reduced diffusivity of aluminum through AFA. The aluminum and nitrogen-enriched phase was also observed in a high temperature pressure-assisted test sample of UN and as-cast AFA thermally treated at 1373 K. Finally, in UN samples doped with a low weight percent of UO 2 (< 3 wt%), AlN was not detected along the interface at either temperatures, and an Al 2 O 3 layer likely formed along the interface and prevented further chemical interaction between UN and as-cast AFA.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compatibility of Zircaloy-4 in eutectic PbSn and PbBiSn liquid metals

Here, a novel nuclear fuel concept has been proposed, consisting of UO₂ particles suspended in a liquid metal alloy. To evaluate its feasibility, the compatibility of Zircaloy-4 cladding with candidate eutectic PbSn and PbBiSn alloys—as well as with pure Pb, Bi, and Sn—was investigated through 1000-hour exposures at 400 °C and 600 °C. Severe degradation of the Zircaloy-4 specimens was observed in eutectic PbSn at 600 °C, whereas oxidation and oxygen diffusion were evident after exposure at 400 °C. At 600 °C, the formation of Zr₃Fe precipitates at the oxide–alloy interface was identified in specimens exposed to Pb and PbBiSn. Thermodynamic analysis suggested that the observed intermetallic formation resulted from the destabilization of Laves phases due to oxygen ingress at elevated temperatures.

Bismuth↗
DOE OSTI2026

FLiBe compatibility of fusion-relevant materials

There is current interest in a 2LiF-BeF2 (FLiBe) molten salt blanket for fusion applications, however, very little compatibility data are available for fusion relevant materials. Initial static capsule testing results for 500 h at 550°-750 °C are presented for V-4Cr-4Ti, Fe-8Cr-2W (alloy F82H) compared to type 316H stainless steel and monolithic SiC as a surrogate for SiC/SiC composites. In addition, sintered Be12Ti specimens with varying additions of Be (0–20%) and a Be2C specimen were exposed with F82H coupons at 650 °C in individual Mo capsules. The V-4Cr-4Ti and SiC specimens exposed at 650 °C had small mass changes. Steel specimens showed increasing mass losses with increasing exposure temperature. However, when Be12Ti-Be specimens were included in a capsule with an F82H coupon, increasing F82H mass gains were observed with increasing Be content due to the formation of a Fe-Be surface layer. No layer and no mass gain were observed for the F82H specimen tested with Be2C.

Pint, Bruce [Oak Ridge National Laboratory (ORNL) ↗
DOE OSTI2014

Chemical compatibility study of melilite-type gallate solid electrolyte with different cathode materials

Chemical reactivity between cathodes and electrolytes is a crucial issue for long term SOFCs stability and performances. In this study, chemical reactivity between selected cathodic materials and the ionic conducting melilite La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25} has been extensively investigated by X-ray powder diffraction in a wide temperature range (up to 1573 K). Perovskite-type La{sub 0.8}Sr{sub 0.2}MnO{sub 3−d} and La{sub 0.8}Sr{sub 0.2}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−d} and K{sub 2}NiF{sub 4}-type La{sub 2}NiO{sub 4+d} were selected as cathode materials. The results of this study allow identifying the most suitable electrode material to be used in combination with the melilite-type gallate electrolyte and set the basis for future work on this novel system. - Graphical abstract: Chemical reactivity between cathodes and electrolytes is a crucial issue for long term SOFCs stability and performances. In this study, chemical reactivity between selected cathodic materials and the ionic conducting melilite La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25} has been extensively investigated by means of X-ray powder diffraction. - Highlights: • Chemical compatibility between melilite-type gallate and cathodes for SOFCs up to 1573 K. • No reactivity observed between La{sub 0.8}Sr{sub 0.2}Fe{sub 0.8}Cu{sub 0.2}O{sub 3−d} and La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25}. • Reactivity observed between La{sub 0.80}Sr{sub 0.20}MnO{sub 3−d} and La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25}. • Significant reactivity observed between La{sub 2}NiO{sub 4+d} and La{sub 1.50}Sr{sub 0.50}Ga{sub 3}O{sub 7.25}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Titanophosphate glasses as lithium-free nonsilicate pH-responsive glasses—Compatibility between pH responsivity and self-cleaning properties

Highlights: ► Ti{sup 3+}-containing TP glasses are lithium-free nonsilicate pH-responsive ones. ► TP glasses with a large amount of Ti{sup 3+} ions show good pH responsivity. ► TP glasses with pH responsivity and self-cleaning properties are obtained. ► pH response of TP glasses is explained by phase boundary potential model. -- Abstract: Lithium silicate-based glasses have been widely used as commercially available pH glass electrodes. It was revealed that Ti{sup 3+}-containing titanophosphate (TiO{sub 2}–P{sub 2}O{sub 5}, TP) glasses are pH-responsive as lithium-free nonsilicate glasses for the first time. The absorption coefficient at 532 nm, α{sub 532} as a measure of Ti{sup 3+} content in TP glasses increased with increasing melting temperature. TP glasses with large α{sub 532} tended to give low electrical resistivity, high pH sensitivity and the short pH response time. The first post-annealing (oxidation of Ti{sup 3+}) of TP glasses at 600–620 °C for 60–240 h resulted in the occurrence of the photo-induced hydrophilicity along with the disappearance of pH responsivity and the increase of electrical resistivity. The second post-annealing (reduction of Ti{sup 4+}) of the first post-annealed TP glasses at 600–620 °C for 48 h under vacuum recovered both pH responsivity and electrical resistivity to the level of the as-prepared TP glasses with maintaining the photo-induced hydrophilicity. Moreover, the second post-annealed TP glasses had photocatalytic activity for methylene blue (MB) comparable to commercially available self-cleaning glass. Thus, TP glasses with the compatibility between pH responsivity and self-cleaning properties were obtained by the sequential post-annealing (oxidation and reduction) of as-prepared glasses. From some circumstantial evidences, pH response of TP glasses was explained in terms of phase boundary potential model related to hopping conduction of electron from Ti{sup 3+} to Ti{sup 4+} via O{sup 2−} ion in TP glasses rather than diffusion potential model.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fe{sub 2}O{sub 3}-Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses as lithium-free nonsilicate pH responsive glasses – Compatibility between pH responsivity and hydrophobicity

Highlights: • Fe{sub 2}O{sub 3}-rich FeBiB glasses show high pH sensitivity and short pH response time. • Bi{sub 2}O{sub 3}-rich FeBiB glasses show relatively high contact angle for water. • FeBiB glasses are lithium-free nonsilicate pH responsive ones. • pH responsivity and hydrophobicity are obtained for optimum glass compositions. - Abstract: Lithium silicate-based glasses have widely been used as commercially available pH glass electrodes. It was revealed that Ti{sup 3+}-containing titanophosphate (TiO{sub 2}-P{sub 2}O{sub 5}, TP) glasses are pH responsive as lithium-free nonsilicate glasses for the first time. TP glasses with the compatibility between pH responsivity and self-cleaning property were obtained by the sequential post-annealing (oxidation and reduction) of as-prepared glasses. Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} (BiB) glasses are relatively hydrophobic and are expected to show anti-fouling effect. They are unsuitable for pH responsive glasses, because they have high electrical resistivity. In the present study, xFe{sub 2}O{sub 3}·yBi{sub 2}O{sub 3}·(100 − x − y)B{sub 2}O{sub 3} glasses (xFeyBiB, x = 0–20 mol%, y = 20–80 mol%) glasses were selected as new pH responsive glasses with hydrophobicity, because Fe{sub 2}O{sub 3} is a representative component for causing hopping conduction to the glasses. BiB glass did not show pH responsivity, whereas xFeyBiB glasses showed good pH responsivity. xFeyBiB glasses are lithium-free nonsilicate pH responsive ones as well as TP glasses. The electrical resistivity and pH response time decreased with increasing Fe{sub 2}O{sub 3} content. The pH repeatability for standard solutions increased with increasing Bi{sub 2}O{sub 3} content. Silicate glass (20Fe70BiSi) showed better pH responsivity but lower contact angle than those of borate glass (20Fe70BiB). pH sensitivity increased in order of TP glasses (about 80%), xFeyBiB glasses (about 90%) and commercial pH responsive glass (about 100%). xFeyBiB glasses showed short pH response time compared to commercial pH responsive glass. The contact angle for water of xFeyBiB glasses was relatively high (about 90°) as well as BiB glasses, and increased slightly with increasing Bi{sub 2}O{sub 3} content regardless Fe{sub 2}O{sub 3} content. The high contact angle was related to low OH content determined by FT-IR measurement. Thus, 20Fe{sub 2}O{sub 3}·70Bi{sub 2}O{sub 3}·10B{sub 2}O{sub 3} glass was the most suitable one as pH responsive glasses with hydrophobicity. TP glasses are pH responsive ones with self-cleaning property, whereas xFeyBiB glasses are expected as pH responsive ones with anti-fouling property based on hydrophobicity.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Semiconductor-compatible topological digital alloys

Recently, GeSn alloys have attracted much interest for direct-gap infrared photonics and as potential topological materials which are compatible with the semiconductor industry. However, for photonics, the high-Sn content required leads to low detectivity, associated with poor material quality, and the (>35 %) Sn required for topological properties have been out of reach experimentally. Here, we demonstrate that by patterning the Sn distribution within Ge, the electronic properties have a far greater tunability than is possible with the random alloy. For the GeSn δ-digital alloy (DA) formed by confining Sn atoms in atomic layer(s) along the [111] direction of Ge, we show that ∼ 10 % Sn can lead to a triple-point semimetal. These findings are understood in terms of Sn ordering causing spatial separation of Sn and Ge band edges, leading to band inversion. This mechanism can also lead to a weak topological insulator, Weyl semimetal, and enables tunable direct bandgaps down to 2 meV, covering the entire infrared range. This DA induced topological properties are also identified in compound semiconductors, such as InAs 1-x Sb x , showing the general applicability of the DA design for realizing topological properties on conventional semiconductor platforms. Furthermore, our findings not only point to a new class of currently unexplored topological systems accessible by epitaxy, but also establish the promise of low-Sn GeSn DAs for application as infrared laser diodes and photodetectors in Si photonic integrated circuits and infrared image sensors.

3D topological semimetal↗
DOE OSTI2022

Geometric compatibility measure m' for twin transmission: A predictor or descriptor?

In this work, the geometric compatibility factor m' is critically analyzed to assess whether it can be used to interpret/predict twin transmission (TT) across grain boundaries (GBs). This geometric measure is widely used to relate the likelihood of TT to the misalignment of both the shear and plane-normal directions within a twin set (i.e., incoming and outgoing twin). Here, using a large set of electron back scattering diffraction (EBSD) data, a detailed statistical analysis of twin-GB interactions is performed for {${1\bar{01}}2$} tensile twins in hexagonal close-packed (HCP) metals Mg, Zr, and Ti at different strain levels. In addition, a full-field crystal plasticity model is employed to quantify the role of local stresses and the applicability of m' as a criterion for the TT process. This combined study addresses the following three main questions: (i) What is the fidelity of m' in describing experimentally observed TTs? (ii) Can m' be used as a metric to predict/anticipate TT? (iii) Does m' naturally capture local stress effects? As a descriptor, m' cannot rationalize ~25% of TT events observed in Mg or more than 50% of TT events in Zr and Ti. As a predictor, the m'-measure does not predict TT events in over ~50% of twin-GB interactions analyzed. Further, the applicability of m' to describe and predict TT events decreases with an increase in elastic anisotropy, plastic anisotropy, and macroscopic strain levels. Finally, the twinning simulations reveal that m' does not capture the key effects of local stresses on variant selection upon twin transmission. The local stress induced by the twinning shear transformation plays a dominant role in driving the TT process compared to the geometric alignment of the constituting twins, i.e., m'.

36 MATERIALS SCIENCE↗
DOE OSTI2016

FLiNaK Compatability Studies with Inconel 600 and Silicon Carbide

A small liquid fluoride salt test apparatus has been constructed and testing conducted to examine the compatibility of SiC, Inconel 600, and a spiral wound gasket material in FLiNaK salt. These tests were conducted to test materials and sealing systems that would be used in a FLiNaK salt test loop. Three months of testing at 700oC was used to assure that these materials and seals would be acceptable operating under expected test loop conditions. The SiC specimens showed little or no change over the test period while the spiral wound gasket material showed no degradation, except for the possibility of salt seeping into the outermost spirals of the gasket. The Inconel 600 specimens showed regions of voiding which penetrated the specimen surface to about 250 m in depth. Analysis indicated that the salt had leached chrome from the Inconel surface as was expected for this material. Because the test loop will have a limited working lifetime, it was concluded that these materials would be satisfactory for loop construction.

42 ENGINEERING↗
DOE OSTI2022

A gauge-compatible Hamiltonian splitting algorithm for particle-in-cell simulations using finite element exterior calculus

A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve gauge symmetries and their associated conservation laws via the momentum map. We numerically demonstrate this time invariance of the momentum map and its usefulness in establishing precise initial conditions with a desired initial electric field and fixed background charge. The restriction of this canonical, finite element Poisson structure to the 1X2P $1\frac {1}{2}$ -dimensional phase space is also considered and simulated numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Compatibility Assessment of Fuel System Infrastructure Plastics with Bio-oil and Diesel Fuel

We report that bio-oil derived via fast pyrolysis is being developed as a renewable fuel option for petroleum distillates. The compatibility of neat bio-oil with 18 plastic types was evaluated using neat diesel fuel as the baseline. The plastic materials included polyphenylene sulfide (PPS), polyethylene terephthalate (PET), polytetrafluoroethylene (PTFE), polyvinylidene fluoride (PVDF), polyoxymethylene (POM), POM copolymer, high density polyethylene (HDPE), polybutylene terephthalate (PBT), polypropylene (PP), polyethylene terephthalate glycol (PETG), polythiourea (PTU), four nylon grades, and four thermosetting resins. Specimens of each material were immersed in the test fuels for a period of 16 weeks to achieve full saturation. Except for PP and HDPE, the plastic materials underwent higher volume expansion in bio-oil than in the baseline diesel (which was negligible in most cases). This volume increase corresponds to the higher polarity of the bio-oil. PPS, PET, and PTFE were unaffected by bio-oil exposure, but modest swelling (between 2 and 5%) occurred for the two acetals (POM and POM copolymer), Nylon-12, PBT, PETG, and the four resin grades. More moderate swelling (8–15%) was noted for Nylon-6, Nylon-6/6, and Nylon-11, and excessive swell (>40%) occurred for PTU. The nonpolar nature of PP and HDPE matches that of diesel, leading to higher solubility (swell) in this fuel type. Finally, the relatively low volume expansion following exposure indicates that many of the existing infrastructure plastics (excluding PTU) should be suitable for use with bio-oil.

09 BIOMASS FUELS↗
DOE OSTI2020

MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids

Peptoids (poly-N-substituted glycines) are a class of synthetic polymers that are regioisomers of peptides (poly-C-substituted glycines), in which the point of side-chain connectivity is shifted from the backbone C to the N atom. Peptoids have found diverse applications as peptidomimetic drugs, protein mimetic polymers, surfactants, and catalysts. Computational modeling is valuable in the understanding and design of peptoid-based nanomaterials. In this work, we report the bottom-up parameterization of coarse-grained peptoid force fields based on the MARTINI peptide force field against all-atom peptoid simulation data. Our parameterization pipeline iteratively refits coarse-grained bonded interactions using iterative Boltzmann inversion and nonbonded interactions by matching the potential of mean force for chain extension. We assure good sampling of the amide bond cis/trans isomerizations in the all-atom simulation data using parallel bias metadynamics. We develop coarse-grained models for two representative peptoids—polysarcosine (poly(N-methyl glycine)) and poly(N-((4-bromophenyl)ethyl)glycine)—and show their structural and thermodynamic properties to be in excellent accord with all-atom calculations but up to 25-fold more efficient and compatible with MARTINI force fields. Here, this work establishes a new rigorously parameterized coarse-grained peptoid force field for the understanding and design of peptoid nanomaterials at length and time scales inaccessible to all-atom calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Compatibility between Various Ionic Liquids and an Organic Friction Modifier as Lubricant Additives

Tribological performance of a boundary lubrication contact is largely dominated by the friction modifier (FM) and antiwear (AW) additives in the lubricant. While oil-soluble ionic liquids (ILs) have recently demonstrated promising AW functionality, their compatibility with FMs is little known and even less understood for nonferrous alloys. Here in this paper, we report the latest results for several selected ILs when used together with an organic FM (OFM) in lubricating a steel–bronze contact. Depending on the IL chemistry, either synergistic or antagonistic effects were observed. The three aprotic ILs ([P 8888 ][DEHP], [P 66614 ][BTMPP], and [P 66614 ][C 17 H 35 COO]) seemed to degrade the OFM’s lubricating performance. In contrast, the protic IL [N 888 H][DEHP] exhibited a strong synergistic effect with the OFM, yielding an ultralow steady-state friction coefficient (0.02) and a low wear rate (<10 –8 mm 3 /(N m)), which significantly outperformed the IL or the OFM alone. Surface characterization found no chemically reacted tribofilm on the bronze worn surface. On the other hand, a unique physically adsorbed surface film as a result of interconnection between the IL and OFM molecules by hydrogen bonds is proposed on the basis of chemical analysis. Such an adsorption surface film is expected to be difficult to compress vertically but easy to shear horizontally, leading to low friction and wear.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Polymer-Grafted Cellulose Nanofibrils with Enhanced Interfacial Compatibility for Stronger Poly(lactic acid) Composites

Cellulose nanofibrils (CNFs) are a promising reinforcement for biodegradable composite matrices such as poly(lactic acid) (PLA), but they require commercially scalable drying methods that preserve their fibrillar morphology along with improved interfacial interactions with polymer matrices. In this work, a water-based grafting-through polymerization scheme to modify CNFs improved spray drying behavior and reinforcement capacity in PLA composites. All polymer modifications yielded CNFs with a more fibrillar morphology after spray drying, increasing specific surface area by up to 490% compared to unmodified CNFs, values similar to conventional freeze drying. Polymer-grafted CNFs in PLA composites improved the tensile strength by 16% at 20 wt % loading and stiffness by 22% at a 10 wt % loading with two different graft-polymer chemistries compared to unmodified CNF composites. Surface energy heterogeneity measurements of the reinforcements and PLA matrix were employed to understand the improvements in composite properties. Polymer modifications lowered the total surface energy of the CNFs, and calculated ratios of work of adhesion to work of cohesion suggested improved interfacial compatibility for four of the modified CNFs with PLA. Rheological oscillatory shear studies of the composites correlated solid-like melt behavior, as demonstrated by storage moduli dominance, with higher tensile strength. Thermal analysis of the composites revealed that excessive plasticization by the poly(oligoethylene glycol methyl ether methacrylate)-grafted sample potentially offset mechanical property improvements imparted by the more fibrillar morphology. This work provides an opportunity for large-scale manufacturing of CNF/PLA composites via an entirely aqueous modification scheme and industrially relevant spray drying process.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synergistic Coupling Effect of Electronic Conductivity and Interphase Compatibility on High-Voltage Na 3 V 2 (PO 4 ) 2 F 3 Cathodes

Na 3 V 2 (PO 4 ) 2 F 3 (NVPF) has been considered an up-and-coming cathode material candidate for sodium (Na) ion batteries in light of its high specific capacity and working voltage. However, an erratic cathode/electrolyte interface layer is inevitably formed, accompanied by continuous electrolyte decomposition on the NVPF surface, when the voltage exceeds 4.2 V vs Na + /Na. Herein, the interphase features of NVPF are obviously enhanced owing to the ameliorated electronic conductivity obtained by combining it with carbon nanotubes (CNT). The NVPF with 3 wt % CNT (NVPF@3% CNT) reduces the Na + diffusion kinetic energy barrier and electron transport resistance. Furthermore, the conducting network formed by CNT with sturdy structure strength can promptly accommodate the volumetric changes during sequential Na + extraction/insertion and thus effectively improve the long-term cyclic performance of NVPF/hard carbon full cells. The initial discharge capacity approaches 105 mA h g –1 at 0.5C, and it retains 94% capacity retention after 200 cycles at the temperature of –10 °C. The cathode/electrolyte interphase characterization results further demonstrate that the interphase layer on the NVPF@3% CNT cathode is thinner and more compact compared with pristine samples. Here, this research provides a competitive strategy to facilitate the interfacial compatibility between the NVPF and electrolytes and accelerate the commercialization of high-performance Na-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Intrinsically Bifunctional and Tunable Tungsten Carbide Catalysts Enable Efficient PVC-Compatible Polyolefin Hydrocracking

Hydrocracking is a promising route for the chemical recycling of polyolefins (PO), converting them into short hydrocarbons over bifunctional catalysts with metal sites for hydrogenation and dehydrogenation, and Brønsted acid sites (BAS) for isomerization and C–C bond cleavage. However, PO feedstocks containing polyvinyl chloride (PVC) can release chlorine (Cl) under reaction conditions, deactivating conventional noble metal/zeolite catalysts. Moreover, the lack of site intimacy and the presence of micropores within conventional catalysts create challenges around the transport of high-molecular-weight, sterically encumbered polymer intermediates. Here, in this study, we report tungsten carbides (W x C) as a novel type of bifunctional catalysts that address these challenges. W/W 2 C phases on W x C offer “metal” sites, and −OH on WO x species introduces BAS in close proximity. The “metal”:BAS ratio can be tuned through carburization temperature, leading to a volcano-shaped activity trend reflecting the requirement for metal–BAS balance. Kinetic data demonstrate that each PO chain undergoes sequential cleavage, while trends in cracking ideality and selectivity follow those in short-alkane hydrocracking. On the per-BAS basis, W x C is more efficient than conventional bifunctional catalysts by more than an order of magnitude, due to enhanced polymer transport. They maintain or show increased activity with 10 wt % PVC in the substrate. This work establishes transition-metal carbides as earth-abundant bifunctional catalysts with unique site proximity and heteroatom compatibility. These features, along with the broad structure space for rational tuning, make them promising options to tackle specific challenges that polymer feedstocks present in hydrocracking.

Nwachukwu, Uchenna C. [Univ. of Akron, OH (United ↗