An unexpected all-metal aromatic tetranuclear silver cluster in human copper chaperone Atox1

Metal clusters, such as iron–sulfur clusters, play key roles in sustaining life and are intimately involved in the functions of metalloproteins. Herein we report the formation and crystal structure of a planar square tetranuclear silver cluster when silver ions were mixed with human copper chaperone Atox1. Quantum chemical studies reveal that two Ag 5s¹ electrons in the tetranuclear silver cluster fully occupy the one bonding molecular orbital, with the assumption that this Ag₄ cluster is Ag₄²⁺, leading to extensive electron delocalization over the planar square and significant stabilization. This bonding pattern of the tetranuclear silver cluster represents an aromatic all-metal structure that follows a 4n + 2 electron counting rule (n = 0). This is the first time an all-metal aromatic silver cluster was observed in a protein.

Metal clusters, such as iron–sulfur clusters, play key roles in sustaining life and are intimately involved in the functions of metalloproteins.     

CFD-DEM-VDGM method for simulation of particle fluidization behavior in multi-ring inclined-hole spouted fluidized bed

The simulation of particle fluidization behavior in a complex geometry with a large number of particles is challenging owing to the complexity of unstructured c...     

Precise electro-reduction of alkyl halides for radical defluorinative alkylation

Reported here is a precise electro-reduction strategy for radical defluorinative alkylation towards the synthesis of gem-difluoroalkenes from α-trifluoromethylstyrenes. According to the redox-potential difference of the radical precursors, direct or indirect electrolysis is respectively adopted to realize the precise reduction. An easy-to-handle, catalyst-and metal-free condition is developed for the reduction of alkyl radical precursors that are generally easier to be reduced than α-trifluorome...     

Computational fluid dynamic-discrete element method coupling analysis of particle transport in branched networks

An understanding of the particle transport characteristics in a branched network helps to predict the particle distribution and prevent undesired plugging in various engineering systems.Quantitative analysis of particle flow characteristics is challenging in that experiments are expensive and particle flow is difficult to detect without disturbing the flow.To overcome this difficulty,man-made fractal tree-like branched networks were built,and a coupled computational fluid dynamic and discrete element method model was applied.A series of numerical simulations was carried out to analyze the influence of fractal structure parameters of networks on the particle flow characteristics.The joint influence of inertial,shunt capacity and superposition from upstream branches on particle flow was investigated.The injection position at the inlet determined the particle velocity and its future flow path.The particle density ratio,particle size and bifurcation angle had a greater influence on the shunting of K2 branches than that in the K1 level and N_k22/N_k21 reached a maximum at 60°.Compared with a network with an even number of branches,there was a preferential branch when the branch number was odd.The preferential branch effect or asymmetry degree of the level(K2)branches had a more significant impact on particle shunting than that from the upstream branches(K1).     

光学表面非均匀中频误差的评价与修正

针对光学元件使用过程中中频误差将导致光学元件的激光破坏这一问题,提出一种中频误差突出频率提取方法。采用基于统计学的多样本数据处理,对于每一种采样方向都可以得到数个较为突出的不合格频率。利用这些频率进行确定性加工后,在特定方向,空间频率0.044 1 mm-1,0.085 8 mm-1,0.041 7 mm-1所出现的不合格次数分别降至加工前的23.9%,18.3%,29.2%,而整体中频误差减少至50.1%。结果表明,此方法降低了由光学表面中频误差方向性与局部性引起的不确定性。     

Gerdjikov-Ivanov方程的精确解

研究在量子场理论、弱非线性色散水波、非线性光学等领域中出现的Gerdjikov-Ivanov方程.对Gerdjikov-Ivanov方程的研究会导出具有高次非线性项的非线性数学物理方程.选取Liénard方程作为辅助常微分方程,借助于它并根据齐次平衡原则,求解了Gerdjikov-Ivanov方程,得到了该方程的包络孤立波解和包络正弦波解. 关键词： 齐次平衡原则 F展开法 Gerdjikov-Ivanov方程 包络孤立波解     

高性能计算机用热管复合制冷系统设计研究

根据高性能计算机全天候温控的需要,提出了综合应用蒸气压缩和动力型分离式热管制冷技术的复合冷源方案。在冬季及春、秋过渡的低温季节,运行热管循环不仅大幅降低环控装置的能耗,而且可以避免在低温环境运行压缩式制冷易发生的冷启动、回油润滑等问题。提出了蒸气压缩制冷、蒸气压缩/热管复合制冷和热管制冷的分区工作模式,引入复合制冷模式有效拓宽了热管运行温区,大幅提高了制冷系统的综合COP。模拟分析了在北京地区应用热管复合制冷技术的节能性能,相比常规的压缩制冷节能率高达40%。研究表明:热管复合制冷系统具有显著的节能减排优势,特别适用于全天候工作的机房、基站等高热密度电子集成系统的温控。     

The stability analysis of rolling motion of hypersonic vehicles and its validations

The stability of the rolling motion of near space hypersonic vehicles with rudder control is studied using method of qualitative analysis of nonlinear differential equations, and the stability criteria of the deflected rolling motions are improved. The outcomes can serve as the basis for further study regarding the influence of pitching and lateral motion on the stability of rolling motion. To validate the theoretical results, numerical simulations were done for the rolling motion of two hypersonic vehicles with typical configurations. Also, wind tunnel experiments for four aircraft models with typical configurations have been done. The results show that: 1) there exist two dynamic patterns of the rolling motion under statically stable condition. The first one is point attractor, for which the motion of aircraft returns to the original state. The second is periodic attractor, for which the aircraft rolls periodically. 2) Under statically unstable condition, there exist three dynamic patterns of rolling motion, namely, the point attractor, periodic attractor around deflected state of rolling motion, and double periodic attractors or chaotic attractors.     

辉光等离子体辅助化学气相沉积低温合成金刚石薄膜的研究

采用辉光放电等离子体增强化学气相沉积 (GP CVD)技术在低温条件下合成了高品质的亚微米金刚石薄膜 ,并通过对合成过程的实时发射光谱诊断确定了 [CH4 H2 ]系统参与金刚石合成反应的主要荷能粒子。对合成过程的研究表明 :采用这种技术能使电子增强热丝化学气相沉积 (EACVD)合成高品质金刚石薄膜的温度从 85 0℃降至 (340± 5 )℃ ;薄膜低温合成中的主要荷能粒子为CH3 、CH ,CH+ 、H 等 ,其中过饱和原子氢保证了高品质金刚石薄膜的合成 ;根据光诊断和探针测量的结果推断近表面辉光放电可在基片表面形成电偶极层 ,该偶极层是进行超常态反应的必要环境 ,并在低温合成中起重要作用     

Charge state effect on the K-shell ionization of iron by xenon ions near the Bohr velocity

Fe K-shell ionization cross sections induced by 2.4–6.0 MeV Xe20+are measured and compared with different binaryencounter-approximation(BEA)models.The results indicate that the BEA model corrected both by the Coulomb repulsion and by the effective nuclear charge(Zeff)agrees well with the experimental data.Comparison of Fe K-shell X-ray emission induced by 5 MeV xenon ions with different initial charge states(20+,22+,26+,30+)verifies the applicability of the effective nuclear charge(Zeff)correction for the BEA model.It is found that Zeffcorrection is reasonable to describe direct ionization induced by xenon ions with no initial M-shell vacancies.However,when the M shell is opened,the Zeffcorrected BEA model is unable to explain the inner-shell ionization,and the electron transfer by molecular-orbital promotion should be considered.