From Gradient Elasticity to Gradient Interatomic Potentials: The Case-Study of Gradient London Potential

Motivated by the special theory of gradient elasticity (GradEla), a proposal is advanced for extending it to construct gradient models for interatomic potentials, commonly used in atomistic simulations. Our focus is on London’s quantum mechanical potential which is an analytical expression valid until a certain characteristic distance where “attractive” molecular interactions change character and become “repulsive” and cannot be described by the classical form of London’s potential. It turns out that the suggested internal length gradient (ILG) generalization of London’s potential generates both an “attractive” and a “repulsive” branch, and by adjusting the corresponding gradient parameters, the behavior of the empirical Lennard-Jones potentials is theoretically captured.

An insight into failure mechanism of NASICON-structured Na3V2（PO4）3 in hybrid aqueous rechargeable battery

NASICON (Na-super-ionic-conductors)-structured materials have attracted extensive research interest due to their great application potential in secondary batteries. However, the mechanism of capacity fading for NASICON-structured electrode materials has been rarely studied. In this paper, we synthesized the NASICON-structured Na3V2(PO4)3/C composite by simple sol-gel and high-temperature solid-phase method and investigated its electrochemical performance in Na-Zn hybrid aqueous rechargeable batteries. After characterizing the structure, morphology and composition variations as well as the interfacial resistance changes of Na3V2(PO4)3/C cathode during cycling, we propose a mechanical and interfacial degradation mechanism for capacity fading of NASICON-structured Na3V2(PO4)3/C in Na-Zn hybrid aqueous rechargeable batteries. This work will shed light on enhancing the mechanical and in terfacial stability of NASICON-structured Na3V2(PO4)3/C in Na-Zn hybrid aqueous rechargeable batteries.

Innate Preferences for Radial Gradient Pattern Cues in the Cotton Bollworm, <i>Helicoverpa armigera</i>

Information is lacking regarding the visual cues used by Helicoverpa armigera moths during nectar feeding. Here, we investigated the preference for radial gradient patterns in H. armigera moths. The results indicated that both sexes shared a preference to plain flower models of blue and cyan. The radial gradient pattern (cyan as nectar guide color and blue as petal color) was more attractive than its component plain colors (cyan or blue), especially in male moths. Number of corolla petals did not influence the attractiveness of the cyan-blue pattern. The addition of a tertiary floral attractant to white-blue or cyan-blue radial gradient patterns could dramatically enhance the attractiveness of visual cues in males rather than females, suggesting that males gave a higher weight in olfactory modality than females gave, while females gave a higher weight in vision modality than males gave. All together, we found an optimal combination of floral cues in H. armigera sexes as follows: A tertiary floral attractant (2 μL dose of phenylacetaldehyde, benzyl acetate, and salicylaldehyde mixed in 26:15:2) added to white-blue radial gradient flower model (3 cm in diameter). To our knowledge, this is the first time that rose curve and radial gradient tools were used to simulate floral pattern in the studies of flower-visiting insects.

A flame-retardant binder with high polysulfide affinity for safe and stable lithium–sulfur batteries

Lithium-sulfur(Li-S) batteries have shown promises for the next-generation, high-energy electrochemical storage, yet are hindered by rapid performance decay due to the polysulfide shuttle in the cathode and safety concerns about potential thermal runaway. To address the above challenges, herein, we show a flame-retardant cathode binder that simultaneously improves the electrochemical stability and safety of batteries. The combination of soft and hard segments in the polymer framework of binders allows high flexibility and mechanical strength for adapting to the drastic volume change during the Li(de)intercalation of the S cathode. The binder contains a large number of polar groups, which show the high affinity to polysulfides so that they help to anchor active S species at the cathode. These polar groups also help to regulate and facilitate the Li-ion transport, promoting the kinetics of polysulfide conversion reaction. The binder contains abundant phosphine oxide groups, which, in the case of battery's thermal runaway, decompose and release PO· radicals to quench the combustion reactions and stop the fire. Consequently, Li-S batteries using the new cathode binder show the improved electrochemical performance, including a low-capacity decay of 0.046% per cycle for 800 cycles at 1 C and favorable rate capabilities of up to 3 C. This work offers new insights on the practical realization of high-energy rechargeable batteries with stable storage electrochemistry and high safety.

Highly efficient synthesis of boron nitride nanotubes by catalytic chemical vapor deposition of boron/nickel containing precursors

High-purity and high-yield boron nitride nanotubes with large aspect ratio were prepared by a facile two-step process,including the synthesis of boron/nickel containing precursors by precipitation reactions and subsequent thermally catalytic chemical vapor deposition reactions.The influence of catalyst content and annealing temperature on the phase composition and microstructure of the products were investigated.The results show that it is difficult to exert the catalytic effect of nickel-based catalyst at low temperatures(<1400℃).At appropriate temperatures(1400-1500℃),highly crystalline boron nitride nanotubes with a length of more than 50 mm and a diameter of 50 nm are formed.The content of catalyst in the precursor mainly affects the morphology of the boron nitride product.If the content is too low,it is easy to form boron nitride particles;while high catalyst content can easily lead to catalyst aggregation and form a submicron one-dimensional boron nitride with unregular structure.Based on microstructural evolutions,phase changes,and thermodynamic analysis,the vapor-liquid-solid(V-L-S)growth mechanism of the tip growth mode dominates the formation of boron nitride nanotubes has also been verified.