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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 865 records · Page 48

Designing Physicochemically‐Ordered Interphases for High‐Performance Composites

To enhance the mechanical properties of carbon fiber‐reinforced polymer composites, a physicochemical scaffold is designed incorporating microscopically architected chemically reactive nanofibers that act as a multiscale bridge between the carbon fibers and the matrix. Thermally activated nanofibers leverage their morphologically driven mechanochemical properties to form covalent bonds with adjacent polymer molecules, creating a co‐continuous network that dramatically enhances fiber‐matrix load transfer. By meticulously controlling the nanofiber architecture through variable surface area, functional group availability, and polymer chain alignment effects, the extent of covalent bonding between nanofibers and the matrix is manipulated ultimately resulting in improved carbon fiber‐matrix adhesion. Further, the concept was validated using polyacrylonitrile nanofibers within an acrylonitrile butadiene styrene matrix in a discontinuous carbon fiber‐reinforced composite system. Nanomechanical studies using atomic force microscopy and low‐field nuclear magnetic resonance spectroscopy confirmed immobilized, chemically transferred, and ordered nanostructures at the interphase. The resulting composites demonstrated ≈56% and ≈175% improvements in tensile strength and toughness, respectively, compared to composites without nanofiber. Comprehensive thermal, rheological, and X‐ray scattering analyses, along side all‐atomic molecular dynamics simulations, revealed the fundamental mechanisms behind these improvements in mechanical behavior. The versatility and efficacy of the approach have the potential to address longstanding interphase challenges in the composite industry.

36 MATERIALS SCIENCE↗

Boosting Sodium Storage in TiO 2 Nanotube Arrays through Surface Phosphorylation

In this paper, sodium–ion batteries (SIBs) offer a promise of a scalable, low–cost, and environmentally benign means of renewable energy storage. However, the low capacity and poor rate capability of anode materials present an unavoidable challenge. In this work, it is demonstrated that surface phosphorylated TiO 2 nanotube arrays grown on Ti substrate can be efficient anode materials for SIBs. Fabrication of the phosphorylated nanoarray film is based on the electrochemical anodization of Ti metal in NH 4 F solution and subsequent phosphorylation using sodium hypophosphite. The phosphorylated TiO 2 nanotube arrays afford a reversible capacity of 334 mA h g –1 at 67 mA g –1 , a superior rate capability of 147 mA h g –1 at 3350 mA g –1 , and a stable cycle performance up to 1000 cycles. In situ X–ray diffraction and transmission electron microscopy reveal the near–zero strain response and robust mechanical behavior of the TiO 2 host upon (de)sodiation, suggesting its excellent structural stability in the Na+ storage application.

25 ENERGY STORAGE↗

Enhanced Nucleation of Atomic Layer Deposited Contacts Improves Operational Stability of Perovskite Solar Cells in Air

Metal-halide perovskites show promise as highly efficient solar cells, light-emitting diodes, and other optoelectronic devices. Ensuring long-term stability is now a major priority. In this study, an ultrathin (2 nm) layer of polyethylenimine ethoxylated (PEIE) is used to functionalize the surface of C 60 for the subsequent deposition of atomic layer deposition (ALD) SnO 2 , a commonly used electron contact bilayer for p-i-n devices. The enhanced nucleation results in a more continuous initial ALD SnO 2 layer that exhibits superior barrier properties, protecting Cs 0.25 FA 0.75 Pb(Br 0.20 | 0.80 ) 3 films upon direct exposure to high temperatures (200 degrees C) and water. This surface modification with PEIE translates to more stable solar cells under aggressive testing conditions in air at 60 degrees C under illumination. This type of 'built-in' barrier layer mitigates degradation pathways not addressed by external encapsulation, such as internal halide or metal diffusion, while maintaining high device efficiency up to 18.5%. This nucleation strategy is also extended to ALD VOx films, demonstrating its potential to be broadly applied to other metal oxide contacts and device architectures.

14 SOLAR ENERGY↗

Bit threads in higher-curvature gravity

We generalize holographic bit threads to bulk theories with a gravitational action containing higher-curvature terms. Bit threads are a reformulation of holographic entanglement entropy, where the entropy is given by the maximum number of threads emanating from a boundary region into the bulk. We show that the addition of higher-curvature terms adds corrections to the bit thread thickness that depend on the local geometry and thread orientation. Two different methods are given: determination of the density bound by requiring the maximum number of threads through a given surface to reproduce the entanglement entropy functional on that surface, and application of Lagrange dualization. The results of the two methods are applied to Gauss-Bonnet gravity as the simplest non-trivial example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Estimation of isosteric heat of adsorption from generalized Langmuir isotherm

Simulation and design of adsorptive separation units demand accurate estimation of thermodynamic properties. Isosteric heat of adsorption as calculated from generalized Langmuir (gL) isotherm coupled with Clausius-Clapeyron expression for pure component and mixed-gas adsorption equilibria is presented in this work. The estimated isosteric heat of adsorption as functions of surface loading and composition is validated against the experimental data for various adsorption systems. Furthermore, the gL results are compared against classical Langmuir (cL) and Toth isotherm for pure components and with Ideal Adsorbed Solution Theory (IAST) for mixed-gas adsorption equilibria. Furthermore, the comparison highlights that gL outperforms cL and Toth for pure component adsorption and IAST for mixed-gas adsorption, and gL reliably captures the loading dependence and the composition dependence for isosteric heat of adsorption.

42 ENGINEERING↗

Creating Spin-One Fermions in the Presence of Artificial Spin–Orbit Fields: Emergent Spinor Physics and Spectroscopic Properties

We propose the creation and investigation of a system of spin-one fermions in the presence of artificial spin–orbit coupling, via the interaction of three hyperfine states of fermionic atoms to Raman laser fields. We explore the emergence of spinor physics in the Hamiltonian described by the interaction between light and atoms, and analyze spectroscopic properties such as dispersion relation, Fermi surfaces, spectral functions, spin-dependent momentum distributions and density of states. Connections to spin-one bosons and SU(3) systems is made, as well relations to the Lifshitz transition and Pomeranchuk instability are presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Localized corrosion at nm-scale hardening precipitates in Al-Cu-Li alloys

The localized corrosion of Li-containing nm hardening precipitates in the 3rd generation of Al-Cu-Li alloys was investigated based on a quasi in situ approach by sequentially exposing the material to NaCl solution and characterizing the structural, chemical, and electrochemical evolution at atomic scale using electron microscopy, spectroscopy, 3D tomography, electrochemical measurements, and DFT calculations. Localized corrosion of Al 7.5 Cu 4 Li (TB phase) initiated along {001} family of planes through the dealloying of Al and Li due to a low surface work function. Cu was enriched along the Cu (110) // T B (011) // Al (100) orientations on and around corroded T B precipitates. No strong galvanic interactions were observed at the T B and Al matrix interface due to the formation of a Li-C-O rich passivation layer during electrolyte exposure. Similarities and differences between T B and other common Al-Cu-Li precipitates (Al 2 CuLi, Al 6 CuLi 3 , and Al 3 Li) with respect to corrosion are discussed. Overall, the reported corrosion mechanism can assist in the assessment of the localized corrosion susceptibility of precipitation-hardened Al alloys and assist in the design of new alloys.

36 MATERIALS SCIENCE↗

Vapor-phase self-assembly for generating thermally stable single-atom catalysts

Preparation of thermally stable metal single-atom catalysts (SACs) is a challenge in heterogeneous catalysis, especially on conventional supports that provide a weak metal-support interaction. In this work, we report that a modified support MgAl 2 O 4 can stabilize Pt single atoms by a mechanism of vapor-phase self-assembly in a high-temperature treatment (800°C, air). The experimental results on the formation mechanism and the structure are validated by DFT and ab initio molecular dynamics simulations. We infer that stable triangular K 3 O 3 structures help stabilize Pt single atoms at high temperatures in oxidizing conditions, exhibiting excellent reactivity for methane oxidation. The obtained Pt/K/MgAl 2 O 4 SAC presents excellent stability in methane oxidation after steam treatment at elevated temperatures, whereas the Pt/MgAl 2 O 4 nanocatalyst suffers from rapid deactivation due to Pt nanoparticle growth. Now this work paves the way for preparing thermally stable and highly active SACs using conventional high-surface-area supports, despite the weak metal-support interaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigation into the role of silica in lithium polysulfide adsorption for lithium sulfur battery

Highlights: • Amine functionalized silica nanoparticles (AFSN) were prepared. • Polysulfide adsorption studies were carried out with silica nanoparticles and AFSN. • Sulfur cathodes were prepared with SN and AFSN for Li–S batteries. • AFSN showed excellent polysulfide adsorption. - Abstract: A new type of sulfur electrodes with the ability for polysulfide adsorption was prepared by incorporating silica nanoparticles (SN) or amine functionalized silica nanoparticles (AFSN). AFSN was synthesized by a simple and cost-effective method. The functionalization and surface morphology of silica were confirmed with Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM), respectively. Polysulfide adsorption studies were carried out using UV–vis spectrometer, which confirmed the excellent adsorption of polysulfides by AFSN. Interaction of polysulfides with SN or AFSN was studied using FTIR and FT-Raman spectroscopy. The effective polysulfide adsorption by SN and AFSN leads to good and stable cycle performance of lithium sulfur cells. The results show that the incorporation of SN or AFSN with sulfur is a promising method to prepare cathode material for lithium sulfur batteries.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Bioinspired design toward nanocellulose-based materials

Nature provides lots of inspiration for material and structural design for various applications. Deriving design principles from the investigation of nature can provide a rich source of inspiration for the development of multifunctional materials. The bioinspired design templates mainly include mussels, nacre, and various plant species. As a sustainable and renewable feedstock, nanocellulose can be used to fabricate advanced materials with multifunctional properties through bioinspired designs. However, challenges and opportunities remain for realizing the full potential in the design of novel materials. Here, this article reviewed recent development in the bioinspired nanocellulose based materials and their application. This article summarizes the functions (e.g., surface wetting) and applications (e.g., composite) of bioinspired nanocellulose-based materials. The bioinspired design templates are discussed along with strategies, advantages, and challenges to the development of synthetic mimics. Additionally, mechanisms and processes (e.g., chemical modification, self-assembly) leading to biomimetic design are discussed. Finally, future research directions and opportunities of bioinspired nanocellulose-based materials are highlighted.

36 MATERIALS SCIENCE↗

Advances and perspectives of hard carbon anode modulated by defect/hetero elemental engineering for sodium ion batteries

Sodium-ion batteries (SIBs) serve as a promising complement to lithium-ion batteries for large-scale energy storage, leveraging the abundance of sodium resources and notable safety advantages. The key advancement in SIB industrialization hinges on identifying a cost-effective and high-performance anode material, similar to the graphite anode in lithium-ion batteries. Hard carbon emerges as prime anode materials for SIBs, boasting high specific capacity, low sodium storage potential, and wide availability. However, practical applications of hard carbon encounters challenges such as low initial Coulombic efficiency (ICE), inadequate long-term cycling stability, and poor rate performance. Recent research has focused on the optimization of hard carbon electrodes through functional design. In this comprehensive review, we have meticulously examined the progress in enhancing sodium storage performance through microstructural modulation within hard carbon, encompassing four pivotal aspects: heteroatom doping, incorporation of oxygen functional groups, surface coating, and intrinsic defect engineering. Progress in implementing these strategies is scrutinized, while the merits and challenges of each defect engineering approach are discussed. In conclusion, this review also looks into forthcoming opportunities and challenges in the practical application process of hard carbon electrodes in SIBs.

25 ENERGY STORAGE↗

Mitigation of safety and environmental challenges posed by refrigerants

The abatement of safety and environmental burden associated with low and ultra-low Global Warming Potential (GWP) refrigerants is a critical undertaking. As the industry shifts towards more environmentally friendly alternatives, mitigating the potential risks and ensuring safety standards becomes paramount. The adoption of mildly and highly flammable refrigerants contributes significantly to minimizing the greenhouse gas impact on the environment, aligning with global climate and sustainability goals. However, it is essential to address safety concerns and potential environmental implications associated with the end use of these refrigerants. A method to mitigate the safety risk in a flammable refrigerant based heating, ventilation, air-conditioning, and refrigeration (HVACR) system is the primary focus of this paper. Advent of A2L and A3 refrigerants as replacements to high GWP refrigerants requires careful handling of leak episodes to lower or eliminate the risk associated with creating flammable mixtures capable of fire/explosion hazard. Solid materials tailored to target the molecule of interest (i.e., refrigerant.) by engineering the microporous structure as well as chemically functionalizing the surface to attract and hold on to the chemical compound being removed from the gas stream was realized. Quantitative analysis reveals the adsorbent's effectiveness in reducing leak potential in the range of 40 %–100 % for various refrigerants. Strategic placement and active leak management with negative pressure offer promising avenues for capturing leaked refrigerants, enhancing overall safety.

42 ENGINEERING↗

Production of bioactive recombinant human Eb-peptide of pro-IGF-I and identification of binding components from the plasma membrane of human breast cancer cells (MDA-MB-231)

Highlights: • A bioactive recombinant E-peptide of human pro-IGF-I (hEb-peptide) with a purity over 95% was prepared. • The recombinant human E-peptide binds reversibly membrane proteins of human breast carcinoma cells, MDA-MB-231. • By employing two dimension polyacrylamide gel electrophoresis and MALDI-MS/MS analysis, we have isolated and identified eight protein molecules bound reversibly with the hEb-peptide from the membrane preparation of MDA-MB-231 cells. E-peptide of the pro-Insulin-like growth factor-I (pro-IGF-I) is produced from pre-pro-IGF-I by proteolytic cleavage in the post-translational processing. The human Eb-peptide (hEb-peptide), derived from the E domain of pro-IGF-IB isoform, is a bioactive molecule whose exact physiological role remains elusive. Accumulated evidence reported from our laboratory indicated that hEb-peptide possesses activity against multiple hallmark characteristics of solid tumor in different cancer cell types. In human breast carcinoma cells (MDA-MB-231), it was demonstrated that hEb-peptide can promote cell attachment to substratum, inhibit colony formation in a semisolid medium, reduce cancer cell invasion, and inhibit cancer-induced angiogenesis. Like the action of other peptide hormones, these cellular responses triggered by hEb may be initiated through binding to a receptor molecule residing on the surface of the cell. Our laboratory and the others have previously provided evidence demonstrating the existence of hEb-peptide specific binding components residing on the cell membrane. In this study, we report the isolation and identification of eight protein molecules bound reversibly with hEb-peptide from the membrane preparation of MDA-MB-231 cells. Some of the identified proteins are known to be present at cell surface and function as receptors while the others are not. The functions of these molecules reveal strong correlation with the demonstrated activities of hEb-peptide on MDA-MB-231cells, suggesting hEb-peptide activity on cancer cells might be mediated by these molecules.

60 APPLIED LIFE SCIENCES↗

Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase

The dehaloperoxidase-hemoglobin (DHP) from the terebellid polychaete Amphitrite ornata is a multifunctional hemoprotein that catalyzes the oxidation of a wide variety of substrates, including halo/nitrophenols, haloindoles, and pyrroles, via peroxidase and/or peroxygenase mechanisms. To probe whether substrate substituent effects can modulate enzyme activity in DHP, we investigated its reactiviy against a panel of o-guaiacol substrates given their presence (from native/halogenated and non-native/anthropogenic sources) in the benthic environment that A. ornata inhabits. Using biochemical assays supported by spectroscopic, spectrometric, and structural studies, DHP was found to catalyze the H 2 O 2 -dependent oxidative dehalogenation of 4-haloguaiacols (F, Cl, and Br) to 2-methoxybenzoquinone (2-MeOBQ). 18 O labeling studies confirmed that O atom incorporation was derived exclusively from water, consistent with substrate oxidation via a peroxidase-based mechanism. Here, the 2-MeOBQ product further reduced DHP to its oxyferrous state, providing a link between the substrate oxidation and O 2 carrier functions of DHP. Nonnative substrates resulted in polymerization of the initial substrate with varying degrees of oxidation, with 2-MeOBQ identified as a minor product. When viewed alongside the reactivity of previously studied phenolic substrates, the results presented here show that simple substituent effects can serve as functional switches between peroxidase and peroxygenase activities in this multifunctional catalytic globin. More broadly, when recent findings on DHP activity with nitrophenols and azoles are included, the results presented here further demonstrate the breadth of heterocyclic compounds of anthropogenic origin that can potentially disrupt marine hemoglobins or function as environmental stressors, findings that may be important when assessing the environmental impact of these pollutants (and their metabolites) on aquatic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transport of colloidal particles in microscopic porous medium analogs with surface charge heterogeneity: experiments and fundamental role of single-bead deposition

Understanding colloid transport in subsurface environments is challenging due to complex interactions between colloids, ground water, and porous media over several length scales. Here, we study the transport of colloidal particles through bead-assembled microfluidic porous media analogs (PMAs) with surface charge heterogeneity. The pore-scale dynamics of colloidal particle deposition were measured, as well as the breakthrough curves (BTC) and retention profiles (RP) of deposited colloidal particles at the scale of the entire PMA. From pore-scale experiments, the maximum surface coverage (?max = 0.51) was measured directly, from which the surface blocking function and deposition coefficient (kpore = 3.56 s-1) were obtained. Using these pore-scale parameters, the transport of colloidal particles was modeled using a one-dimensional advection-dispersion equation under the assumption of irreversible adsorption between oppositely charged beads and colloids, showing good agreement with experimental data. This work presents a new approach to fabricate chemically heterogeneous porous media in a microfluidic device that enables direct measurements of pore-scale colloidal deposition. The approach allows a quantitative prediction of colloidal breakthrough and retention via coupling of direct measurements and an advection-dispersion-deposition model.

Guo, Yang↗

Photoconductivity of CdTe Nanocrystal-Based Thin Films. Te 2- Ligands Lead To Charge Carrier Diffusion Lengths Over 2 Micrometers

We report on photoconductivity of films of CdTe nanocrystals (NCs) using time-resolved microwave photoconductivity (TRMC). Spherical and tetrapodal CdTe NCs with tunable size-dependent properties are studied as a function of surface ligand (including inorganic molecular chalcogenide species) and annealing temperature. Relatively high carrier mobility is measured for films of sintered tetrapod NCs (4 cm 2 /(V s)). Our TRMC findings show that Te 2- capped CdTe NCs show a marked improvement in carrier mobility (11 cm 2 /(V s)), indicating that NC surface termination can be altered to play a crucial role in charge-carrier mobility even after the NC solids are sintered into bulk films.

14 SOLAR ENERGY↗