基于扩展有限元法的颗粒增强复合材料静态及动态断裂行为研究

运用不含裂尖增强函数的扩展有限元法,分别研究了静态及动态载荷作用下颗粒增强复合材料的断裂行为.假定基体和颗粒都为线弹性材料并且绑定完好,研究了不同颗粒位置、数量对基体裂纹尖端断裂参数的影响.数值模拟结果清晰地显示了含刚性颗粒和柔性颗粒时不同的失效机制.结果同时证明论文采用的数值方法能够准确预报颗粒增强复合材料的断裂行为,也更易于被工程界所接受.     

立体角在结构化学中的应用

使用立体角概念,说明由一种或几种多面体组合,达到三维无隙结构充分必要条件。本文给出常见正多面体、常见阿基米德半正多面体顶角的立体角以及二面角,并结合结构化学实例分析阐述。在空间中须满足各立体角之和等于4π(sr),故通过简单的加和,即可判断无隙堆积的可能性,得知每个点的共用情况,进而推导出空间结构。运用这种方法,可以对一些尚不存在的结构进行大胆的预测。     

New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy

Nonlinear optical (NLO) crystals featuring a strong second-harmonic generation (SHG) response and suitable birefringence to achieve phase-matching are in urgent demand in industrial and commercial applications. Based on the substitution strategy, two new NLO lead-iodide formates, K₂[PbI₂(HCOO)₂] and Rb₂[PbI₂(HCOO)₂], have been successfully synthesized using a moderate mixed-solvothermal method. K₂[PbI₂(HCOO)₂] and Rb₂[PbI₂(HCOO)₂] exhibit strong phase-matching SHG responses of 8 and 6.8 × KDP, respectively, a suitable birefringence and transparent window covering most of the visible light and mid-IR region. Crystal structures and theoretical calculations unveil that the origins of the strong SHG response and suitable birefringence can be credibly attributed to the oriented arrangement of the highly distorted [PbI₂O₄] hexa-coordinated polyhedra, which are consistent in their local dipole moments, as well. This research provides a new strategy to explore high-performance NLO crystals.

K₂[PbI₂(HCOO)₂] and Rb₂[PbI₂(HCOO)₂] with highly distorted [PbI₂O₄] polyhedra in an oriented arrangement exhibit a very strong phase-matching SHG response, suitable birefringence, wide transparent windows and good thermal stability.     

数百千伏电压下杆箍缩二极管模拟

为了探索杆箍缩二极管(RPD)在冲击加载下物质低密度区成像应用中的可行性,开展了低电压(≤500 kV)运行条件下RPD箍缩物理特性模拟研究。基于Particle-in-cell(PIC)模拟方法,从二极管加载电压幅值、阴极盘厚度、阴阳电极孔径比等方面开展了二极管模拟,从电子箍缩效率、质子流、电子利用率、电场和磁场分布等角度对箍缩物理过程进行了分析。模拟表明：低电压运行条件下普通结构二极管电流较低,不能为电子提供足够的磁场力从而导致较低的电子箍缩效率;采用组合杆结构,并优化阳极杆到轫致辐射靶区的过渡区设计,是在低电压条件下实现小焦斑、高剂量辐射光源的值得探索的技术途径。     

A carbonyl-rich covalent organic framework as a high-performance cathode material for aqueous rechargeable zinc-ion batteries

Aqueous rechargeable zinc-ion batteries (ZIBs) provide high theoretical capacity, operational safety, low-cost and environmental friendliness for large-scale energy storage and wearable electronic devices, but their future development is plagued by low capacity and poor cycle life due to the lack of suitable cathode materials. In this work, a covalent organic framework (Tp-PTO-COF) with multiple carbonyl active sites is synthesized and successfully introduced in aqueous rechargeable ZIBs for the first time. Tp-PTO-COF delivers high specific capacities of 301.4 and 192.8 mA h g⁻¹ at current densities of 0.2 and 5 A g⁻¹, respectively, along with long-term durability and flat charge–discharge plateaus. The remarkable electrochemical performance is attributed to the abundance of nucleophilic carbonyl active sites, well defined porous structure and inherent chemical stability of Tp-PTO-COF. Moreover, the structural evolution and Zn²⁺ ion intercalation mechanism are discussed and revealed by the experimental analysis and density functional theory calculations. These results highlight a new avenue to develop organic cathode materials for high performance and sustainable aqueous rechargeable ZIBs.

A covalent organic framework (Tp-PTO-COF) with carbonyl active sites was proposed as a novel cathode material and successfully applied in aqueous rechargeable zinc-ion batteries (ZIBs).     

Quantum Circuit Optimization for Solving Discrete Logarithm of Binary Elliptic Curves Obeying the Nearest-Neighbor Constrained

In this paper, we consider the optimization of the quantum circuit for discrete logarithm of binary elliptic curves under a constrained connectivity, focusing on the resource expenditure and the optimal design for quantum operations such as the addition, binary shift, multiplication, squaring, inversion, and division included in the point addition on binary elliptic curves. Based on the space-efficient quantum Karatsuba multiplication, the number of CNOTs in the circuits of inversion and division has been reduced with the help of the Steiner tree problem reduction. The optimized size of the CNOTs is related to the minimum degree of the connected graph.     

A MALDI-MS sensing chip prepared by non-covalent assembly for quantitation of acid phosphatase

A novel sensing chip was designed for MALDI-MS quantitation of acid phosphatase(ACP).The ACP sensing chip was constructed through non-covalent interaction of streptavidin and biotin for the assembly of biotinylated peptide substrate on biotinylated polyethylene-glycol(PEG)modified indium-tin oxide(ITO)slide.In the presence of ACP,the peptide substrate was dephosphorylated under acidic condition to generate a new mass signal.The quantitative assay of ACP was achieved with the mass signal ratio of product to the sum of product and left peptide substrate.Under optimal detection conditions,the ratio was linearly correlated with the concentration of ACP in the range of 0.05–12 g/L with a detection limit(LOD)of 0.04 g/L.The designed ACP sensing chip has been used to analyze ACP in complex clinical samples,which exhibited high selectivity,good repeatability,and admirably anti-interference ability.This work further demonstrates the concept of MS sensing and the application of MALDI-MS in quantitative analysis,and provides a convenient method for the quantitation of proteases in clinical diagnosis.     

Investigation Driven by Network Pharmacology on Potential Components and Mechanism of DGS,a Natural Vasoprotective Combination,for the Phytotherapy of Coronary Artery Disease

Phytotherapy offers obvious advantages in the intervention of Coronary Artery Disease (CAD), but it is difficult to clarify the working mechanisms of the medicinal materials it uses. DGS is a natural vasoprotective combination that was screened out in our previous research, yet its potential components and mechanisms are unknown. Therefore, in this study, HPLC-MS and network pharmacology were employed to identify the active components and key signaling pathways of DGS. Transgenic zebrafish and HUVECs cell assays were used to evaluate the effectiveness of DGS. A total of 37 potentially active compounds were identified that interacted with 112 potential targets of CAD. Furthermore, PI3K-Akt, MAPK, relaxin, VEGF, and other signal pathways were determined to be the most promising DGS-mediated pathways. NO kit, ELISA, and Western blot results showed that DGS significantly promoted NO and VEGFA secretion via the upregulation of VEGFR2 expression and the phosphorylation of Akt, Erk1/2, and eNOS to cause angiogenesis and vasodilation. The result of dynamics molecular docking indicated that Salvianolic acid C may be a key active component of DGS in the treatment of CAD. In conclusion, this study has shed light on the network molecular mechanism of DGS for the intervention of CAD using a network pharmacology-driven strategy for the first time to aid in the intervention of CAD.