改进加权支持向量机回归方法器件易损性评估

加权支持向量机回归算法,几乎都是以样本输入空间中的一个重要特征量的函数来确定权值,造成了在高维特征空间中作回归可能存在较大误差。针对这一问题,提出利用高维特征空间中的欧基里德距离来确定权值的方法,构造了一种改进的加权支持向量机回归算法,并将其应用到电子器件高功率微波易损性评估中。仿真结果表明：该方法具有比模糊神经网络法、标准支持向量机回归算法和一般的加权支持向量机回归算法更高的预测精度。由于增加了权值的计算过程,相对于标准支持向量机回归和模糊神经网络方法,该方法的效率较低,但与一般的加权支持向量机回归算法相当。     

点火靶尺度聚苯乙烯空心微球的球形度

为提高惯性约束聚变（ICF）点火靶尺度（约2 mm）聚苯乙烯（PS）空心微球的球形度,研究了油相与外水相界面张力、初始油相质量分数和固化旋转流场转速对PS微球球形度的影响。结果表明,将双重乳液体系外水相中的表面活性剂聚乙烯醇（PVA）替换为聚丙烯酸（PAA）后,油相与外水相之间的界面张力增大了约10倍,PS空心微球的球形度显著提高,球形偏离度小于1 m的微球比例由5%增加至约50%;但是,在较宽范围内改变油相初始质量分数及旋转固化流场转速,对PS微球球形度的影响并不显著,球形偏离度值小于1 m的PS微球比例介于40%~60%之间。     

FCC辐照金属铜材料中氦泡平衡内压的分子模拟及其尺度效应

氦泡内的氦密度及其内压对含氦泡辐照材料的力学性能具有重要影响,论文采用分子模拟方法系统地研究了面心立方金属铜材料内氦泡平衡内压及其尺度效应、温度效应和引起的应力场.基于能量最小原理与应力平衡准则,提出了确定平衡内压的方法,研究发现:(1)采用能量最低原理与应力平衡准则所获得的平衡内压是自洽的;(2)存在一个临界尺度,当氦泡孔径小于该临界尺度时,平衡内压出现反常尺度效应,即当氦泡孔径小于3 nm时,平衡内压并不随孔径减小而明显增大,甚至出现减小的异常现象;(3)传统采用基于球形孔洞的理论公式估算严重高估了氦泡平衡内压,引起的误差随氦泡孔径减小而显著增大,如孔径为3 nm时,误差超过63%;(4)由于纳米孔洞多面体特性和材料的各向异性,即使在平衡内压条件下,基体铜材料内仍存在一定的应力分布,该应力体现出显著的局域特征,即随着距孔洞中心距离的增加而快速下降.此外,论文还提出采用时间平均叠加区域平均来减小热涨落对应力场的影响,取得了较好的效果.     

高频地波雷达风速直接反演的经验模型

利用风浪经验模型从高频地波雷达(HFSWR)的回波谱数据中反演风速需要有效波高等先验信息,因此风速的反演受有效波高反演精度的影响。该文基于风浪经验模型,利用风速和高频地波雷达海面回波二阶谱与一阶谱能量之比的关系,发展了无需波高信息的风速直接反演的经验模型。将风速反演经验模型应用到高频地波雷达风速的反演中,对两部不同频率的雷达在不同海域获得的数据进行了比较分析,结果表明,该文中采用的经验模型能够有效地对风速进行反演,其中三参数模型的结果略好于双参数模型。     

弹道中段群目标平动补偿与分离方法

弹道微动群目标时频图是多目标多散射点微多普勒的叠加,以往针对单目标的补偿与分离方法不再适用。针对这一问题,该文首先分析了群目标及诱饵的微多普勒形式;利用弹道中段目标运动平稳,短时观测加速度近似为常数的特性,采用Radon变换检测微多普勒曲线的倾斜程度,用最小熵准则和高斯函数拟合的方法估计平动参数,进而完成平动补偿;对补偿后的群目标时频图利用Viterbi算法提取各条微多普勒曲线,依据同一目标各散射点微多普勒的周期相关性,完成群目标分离;最后仿真验证了以上方法的有效性。     

Vanadium-Substituted Dawson-Type Polyoxometalate–TiO2 Nanowire Composite Film as Advanced Cathode Material for Bifunctional Electrochromic Energy-Storage Devices

Polyoxometalates (POMs) demonstrate potential for application in the development of integrated smart energy devices based on bifunctional electrochromic (EC) optical modulation and electrochemical energy storage. Herein, a nanocomposite thin film composed of a vanadium-substituted Dawson-type POM, i.e., K₇[P₂W₁₇VO₆₂]·18H₂O, and TiO₂ nanowires were constructed via the combination of hydrothermal and layer-by-layer self-assembly methods. Through scanning electron microscopy and energy-dispersive spectroscopy characterisations, it was found that the TiO₂ nanowire substrate acts as a skeleton to adsorb POM nanoparticles, thereby avoiding the aggregation or stacking of POM particles. The unique three-dimensional core−shell structures of these nanocomposites with high specific surface areas increases the number of active sites during the reaction process and shortens the ion diffusion pathway, thereby improving the electrochemical activities and electrical conductivities. Compared with pure POM thin films, the composite films showed improved EC properties with a significant optical contrast (38.32% at 580 nm), a short response time (1.65 and 1.64 s for colouring and bleaching, respectively), an excellent colouration efficiency (116.5 cm² C⁻¹), and satisfactory energy-storage properties (volumetric capacitance = 297.1 F cm⁻³ at 0.2 mA cm⁻²). Finally, a solid-state electrochromic energy-storage (EES) device was fabricated using the composite film as the cathode. After charging, the constructed device was able to light up a single light-emitting diode for 20 s. These results highlight the promising features of POM-based EES devices and demonstrate their potential for use in a wide range of applications, such as smart windows, military camouflage, sensors, and intelligent systems.     

Selective photocatalytic aerobic oxidation of methane into carbon monoxide over Ag/AgCl@SiO2

Design of active catalysts for chemical utilization of methane under mild conditions is of great importance, but remains a challenging task. Here, we prepared a Ag/AgCl with SiO₂ coating (Ag/AgCl@SiO₂) photocatalyst for methane oxidation to carbon monoxide. High carbon monoxide production (2.3 μmol h⁻¹) and high selectivity (73%) were achieved. SiO₂ plays a key role in the superior performance by increasing the lifetime of the photogenerated charge carriers. Based on a set of semi in situ infrared spectroscopy, electron paramagnetic resonance, and electronic property characterization studies, it is revealed that CH₄ is effectively and selectively oxidized to CO by the in situ formation of singlet ¹O₂via the key intermediate of COOH*. Further study showed that the Ag/AgCl@SiO₂ catalyst could also drive valuable conversion using real sunlight under ambient conditions. As far we know, this is the first work on the application of SiO₂ modified Ag/AgCl in the methane oxidation reaction.

The Ag/AgCl@SiO₂ catalyst exhibits excellent photocatalytic activity in selective aerobic oxidation of methane to carbon monoxide with high selectivity, and extended real light simulation feasibility shows potential in practical application.     

ThH5: An Actinide-Containing Superhalogen Molecule

Thorium and its compounds have been widely investigated as important nuclear materials. Previous research focused on the potential use of thorium hydrides, such as ThH₂, ThH₄, and Th₄H₁₅, as nuclear fuels. Here, we report studies of the anion, ThH₅⁻, by anion photoelectron spectroscopy and computations. The resulting experimental and theoretical vertical detachment energies (VDE) for ThH₅⁻ are 4.09 eV and 4.11 eV, respectively. These values and the agreement between theory and experiment facilitated the characterization of the structure of the ThH₅⁻ anion and showed its neutral counterpart, ThH₅ to be a superhalogen. ThH₅⁻, which exhibits a C_4v structure with five Th−H single bonds, possesses the largest known H/M ratio among the actinide elements, M. The adaptive natural density partitioning (AdNDP) method was used to further analyze the chemical bonding of ThH₅⁻ and to confirm the existence of five Th−H single bonds in the ThH₅⁻ molecular anion.     

玻璃基集成光量子芯片：从二维到三维

玻璃基集成光量子芯片已经应用于量子计算、量子模拟、量子通信、量子精密测量等光量子信息处理领域,显示出强大的功能。文章从量子计算和量子模拟两个方面介绍利用飞秒激光三维高精度直写技术在玻璃中制备集成光量子芯片的重要进展。量子计算芯片包括面向通用量子计算的单比特到多比特光量子逻辑门以及用于解决特定问题的芯片,可实现玻色采样、量子快速傅里叶变换、量子快速到达等功能。在量子模拟方面,玻璃基光量子芯片成为研究关联粒子量子行走动力学和拓扑量子光子学的极佳平台,揭示了一维、二维和合成维度的离散以及连续时间量子行走的演化规律,展示了光子拓扑绝缘体的鲁棒性拓扑模式对量子态传输的保护作用等。     

One-step preparation of branched PEG functionalized AIE-active luminescent polymeric nanoprobes

The synthesis of amphiphilic aggregation-induced emission(AIE) dyes based organic nanoparticles has recently attracted increasing attention in the biomedical fields. These AIE dyes based nanoparticles could effectively overcome the aggregation caused quenching effect of conventional organic dyes, making them promising candidates for fabrication of ultrabright organic luminescent nanomaterials. In this work, AIE-active luminescent polymeric nanoparticles(4-NH_2-PEG-TPE-E LPNs) were facilely fabricated through Michael addition reaction between tetraphenylethene acrylate(TPE-E) and 4-arm-poly(ethylene glycol)-amine(4-NH_2-PEG) in rather mild ambient. The 4-NH_2-PEG can not only endow these AIE-active LPNs good water dispersibility, but also provide functional groups for further conjugation reaction. The size, morphology and luminescent properties of 4-NH_2-PEG-TPE-E LPNs were characterized by a series of techniques in detail. Results suggested that these AIE-active LPNs showed spherical morphology with diameter about 100–200 nm. The obtained 4-NH_2-PEG-TPE-E LPNs display high water dispersibility and strong fluorescence intensity because of their self assembly and AIE properties of TPE-E.Biological evaluation results demonstrated that 4-NH_2-PEG-TPE-E LPNs showed negative toxicity toward cancer cells and good fluorescent imaging performance. All of these features make 4-NH_2-PEG-TPE-E LPNs promising candidates for biological imaging and therapeutic applications.