磁绝缘线振荡器内气体碰撞电离数值模拟

针对气体碰撞电离过程,介绍了蒙特卡罗碰撞（MMC）的处理方法,利用MMC方法编写了气体碰撞电离模块,将其移植到3维全电磁粒子模拟程序NEPTUNE之中,模拟了充有He气的磁绝缘线振荡器（MILO）。模拟结果表明:当He气密度较低时,电离的正离子由于较重无法自由移动,形成了正离子通道,可以有效中和电子束空间电荷场,有利于电子束传输和群聚,提高了束波互作用效率,微波输出功率得到了明显提高,起振时间也有所缩短;当进一步增加He气密度时,电离碰撞增强,电子和离子数目会雪崩式增长,电子束由于碰撞增强而导致能散度增大,其负效应已经远大于中和空间电荷场的正效应,反而不利于电子束的群聚和共振,从而导致输出微波功率降低乃至截断,起振时间缩短是由于其在非雪崩阶段的正效应积累所致,但是随着负效应的增强起振功率不能得以维持,二极管最终将闭合。另外,还模拟了MILO填充空气、水蒸气及二氧化碳等多原子、多组分气体的碰撞电离物理过程。模拟结果显示,同压强情况下,填充空气、水蒸气及二氧化碳的脉冲缩短现象要比填充He气等较低原子序数气体的情况严重得多。     

二十面体病毒及其衣壳蛋白质

许多病毒具有二十面体结构。本文对已经发现的各种二十面体病毒进行了分类,分析了二十面体病毒衣壳的结构特征,阐述了二十面体病毒的结构蛋白。     

Molten-Salt-Mediated Synthesis of an Atomic Nickel Co-catalyst on TiO2 for Improved Photocatalytic H2 Evolution

Atomic co-catalysts offer high potential to improve the photocatalytic performance, of which the preparation with earth-abundant elements is challenging. Here, a new molten salt method (MSM) is designed to prepare atomic Ni co-catalyst on widely studied TiO₂ nanoparticles. The liquid environment and space confinement effect of the molten salt leads to atomic dispersion of Ni ions on TiO₂, while the strong polarizing force provided by the molten salt promotes formation of strong Ni−O bonds. Interestingly, Ni atoms are found to facilitate the formation of oxygen vacancies (OV) on TiO₂ during the MSM process, which benefits the charge transfer and hydrogen evolution reaction. The synergy of atomic Ni co-catalyst and OV results in 4-time increase in H₂ evolution rate compared to that of the Ni co-catalyst on TiO₂ prepared by an impregnation method. This work provides a new strategy of controlling atomic co-catalyst together with defects for efficient photocatalytic water splitting.     

Grain size engineering and growth mechanism in hydrothermal synthesis of Bi0.5Na0.5TiO3 thin films on Nb-doped SrTiO3 substrates

Journal of Sol-Gel Science and Technology - Considering the full utilization of energy and pursuing thin-film capacitors with high energy-storage density, the grain size engineering is used to...     

Finite particle number description of neutron matter using the unitary correlation operator and high-momentum pair methods

Using bare Argonne V4' (AV4'), V6' (AV6'), and V8' (AV8') nucleon–nucleon (\begin{document}$NN$\end{document}) interactions, the nuclear equations of state (EOSs) for neutron matter are calculated with the unitary correlation operator and high-momentum pair methods. Neutron matter is described using a finite particle number approach with magic number \begin{document}$N=66$\end{document} under a periodic boundary condition. The central short-range correlation originating from the short-range repulsion in the \begin{document}$NN$\end{document} interaction is treated by the unitary correlation operator method (UCOM), and the tensor correlation and spin-orbit effects are described by the two-particle two-hole (2p2h) excitations of nucleon pairs, where the two nucleons with a large relative momentum are regarded as a high-momentum (HM) pair. With increasing 2p2h configurations, the total energy per particle of the neutron matter is well-converged under this UCOM+HM framework. Comparing the results calculated with AV4', AV6', and AV8' \begin{document}$NN$\end{document} interactions, we demonstrate the effects of the short-range correlation, tensor correlation, and spin-orbit coupling on the density dependence of the total energy per particle of neutron matter. Moreover, the contribution of each Hamiltonian component to the total energy per particle is discussed. The EOSs of neutron matter calculated within the present UCOM+HM framework agree with the calculations of six microscopic many-body theories, especially the auxiliary field-diffusion Monte Carlo calculations.     

Strain-Enhanced Metallic Intermixing in Shape-Controlled Multilayered Core–Shell Nanostructures: Toward Shaped Intermetallics

Controlling the surface composition of shaped bimetallic nanoparticles could offer precise tunability of geometric and electronic surface structure for new nanocatalysts. To achieve this goal, a platform for studying the intermixing process in a shaped nanoparticle was designed, using multilayered Pd-Ni-Pt core–shell nanocubes as precursors. Under mild conditions, the intermixing between Ni and Pt could be tuned by changing layer thickness and number, triggering intermixing while preserving nanoparticle shape. Intermixing of the two metals is monitored using transmission electron microscopy. The surface structure evolution is characterized using electrochemical methanol oxidation. DFT calculations suggest that the low-temperature mixing is enhanced by shorter diffusion lengths and strain introduced by the layered structure. The platform and insights presented are an advance toward the realization of shape-controlled multimetallic nanoparticles tailored to each potential application.     

A fourth‐order compact algorithm for nonlinear reaction‐diffusion equations with Neumann boundary conditions

In this article, we discuss a scheme for dealing with Neumann and mixed boundary conditions using a compact stencil. The resulting compact algorithm for solving systems of nonlinear reaction‐diffusion equations is fourth‐order accurate in both the temporal and spatial dimensions. We also prove that the standard second‐order approximation to zero Neumann boundary conditions provides fourth‐order accuracy when the nonlinear reaction term is independent of the spatial variables. Numerical examples, including an application of this algorithm to a mathematical model describing frontal polymerization process, are presented in the article to demonstrate the accuracy and efficiency of the scheme. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2005     

Head–Tail Asymmetry as the Determining Factor in the Formation of Polymer Cubosomes or Hexasomes in a Rod–Coil Amphiphilic Block Copolymer

The self‐assembly of a rod–coil amphiphilic block copolymer (ABCP) led to Im m and Pn m polymer cubosomes and p6mm polymer hexasomes. This is the first time that these structures are observed in a rod–coil system. By varying the hydrophobic chain length, the initial concentration of the polymer solution, or the solubility parameter of the mixed solvent, head–tail asymmetry is adjusted to control the formation of polymer cubosomes or hexasomes. The formation mechanism of the polymer cubosomes was also studied. This research opens up a new way for further study of the bicontinuous and inverse phases in different ABCP systems.     

On the limiting factor of impregnation methods for developing Cu/CeO<Subscript>2</Subscript> anodes for solid oxide fuel cells

The efficiency of impregnation methods for making Cu-based solid oxide fuel cells (SOFCs) is qualitatively characterized for the first time through a conformal coating model. It is found that the low-efficiency results from the uneven distribution of Cu instead of the small loading. Most of the Cu deposits form isolated islands, e.g., in a 20.4 vol.% Cu-loaded anode, 81% Cu is isolated from each other. In order to address the limited impregnation efficiency, two different procedures are adopted to fabricate the practical Cu/CeO₂ anodes, namely, simultaneous and sequential impregnation procedures. It is found that CeO₂ works as a solid dispersant, improving the Cu distribution drastically. Compared to the Cu-only anode, more than a threefold improvement of impregnation efficiency is achieved by both methods. The anode made by the sequential impregnation yields the best performance in CH₄ at 700 °C, 170 mW cm^?2, which represents an 18% enhancement over that of the simultaneous impregnation, or 340% over the Cu-only anode. These findings demonstrate that it is of importance to optimize the Cu impregnation to yield a highly active anode, and the sequential impregnation method is a promising procedure to break the efficiency-limiting factor and produce a high-performance anode with minimized fabrication effort.     

Coupling molecular rigidity and flexibility on fused backbones for NIR-II photothermal conversion

Great attention is being increasingly paid to photothermal conversion in the near-infrared (NIR)-II window (1000–1350 nm), where deeper tissue penetration is favored. To date, only a limited number of organic photothermal polymers and relevant theory have been exploited to direct the molecular design of polymers with highly efficient photothermal conversion, specifically in the NIR-II window. This work proposes a fused backbone structure locked via an intramolecular hydrogen bonding interaction and double bond, which favors molecular planarity and rigidity in the ground state and molecular flexibility in the excited state. Following this proposal, a particular class of NIR-II photothermal polymers are prepared. Their remarkable photothermal conversion efficiency is in good agreement with our strategy of coupling polymeric rigidity and flexibility, which accounts for the improved light absorption on going from the ground state to the excited state and nonradiative emission on going from the excited state to the ground state. It is envisioned that such a concept of coupling polymeric rigidity and flexibility will offer great inspiration for developing NIR-II photothermal polymers with the use of other chromophores.

Low bandgap and large deformation generally conflict each other. This work couples molecular rigidity and flexibility by intramolecular hydrogen bonds and double bonds to achieve NIR-II light absorption and reinforced internal conversion at the same time.