Study of water uptake in poly(ether ether ketone) irradiated by MeV O+ and Au+ ions

Poly(ether ether ketone) (PEEK) was irradiated with 4?MeV O⁺ and 5 and 10?MeV Au⁺ ions to the fluences from 10¹² to 10^14?cm^?2 and then treated in 5 M/l water solution of LiCl for one month at room temperature. After drying and removal of LiCl surface contamination, the depth distribution of LiCl embeded in PEEK was measured by the neutron depth profilig method (NDP) sensitive to ⁶Li isotope. Embeded LiCl is believed to map distribution of water diffusing into PEEK interior. The results show that the PEEK irradiated to the fluences above 1.10¹³cm^?2 is prone to water penetration to the depths of few microns. On the pristine PEEK and that irradiated to lower ion fluences only a surface Li contamination is observed.     

航空导管弯曲试验的疲劳裂纹萌生寿命

飞行器液压导管受接头和卡箍等约束，在使用的振动环境中，会因弯曲应力而导致破裂，影响到飞行安全．本文对飞行器液压系统通用的不锈钢导管的裂纹萌生寿命进行了试验研究．首先在对8 mm、12 mm 无缺陷导管和含U 型缺口8 mm 导管的疲劳试验和有限元分析的基础上，得到了导管的最大拉应变-裂纹萌生寿命数据．然后采用基于强度极限和弹性模量估算法的Manson-Coffin 公式来预测导管裂纹萌生寿命．最后引入加载类型修正系数、表面质量修正系数、试样尺寸修正系数、应力集中敏感系数和有效应力集中系数，使修正后的公式对三种类型的导管均有较好的裂纹萌生寿命预测精度．     

On-chip multiphoton Greenberger–Horne–Zeilinger state based on integrated frequency combs

One of the most important multipartite entangled states, Greenberger–Horne–Zeilinger state (GHZ), serves as a fundamental resource for quantum foundation test, quantum communication and quantum computation. To increase the number of entangled particles, significant experimental efforts should been invested due to the complexity of optical setup and the difficulty in maintaining the coherence condition for high-fidelity GHZ state. Here, we propose an ultra-integrated scalable on-chip GHZ state generation scheme based on frequency combs. By designing several microrings pumped by different lasers, multiple partially overlapped quantum frequency combs are generated to supply as the basis for on-chip polarization-encoded GHZ state with each qubit occupying a certain spectral mode. Both even and odd numbers of GHZ states can be engineered with constant small number of integrated components and easily scaled up on the same chip by only adjusting one of the pump wavelengths. In addition, we give the on-chip design of projection measurement for characterizing GHZ states and show the reconfigurability of the state. Our proposal is rather simple and feasible within the existing fabrication technologies and we believe it will boost the development of multiphoton technologies.     

超音速等离子体炬的磁流体动力学数值研究

针对设计的喉径2mm、工作电流为100A的拉瓦尔喷嘴,在二维轴对称模型的基础上,对超音速等离子体炬中的流动及其外部射流进行了数值模拟。通过在阳极喷嘴内部采用基于磁矢量势的磁流体动力学模型,避免了对磁感应强度的复杂积分计算,得到了喷嘴内部多场耦合的结果及外部射流的流动状态,分析了喷嘴内部电磁场对等离子体的加速作用及射流发展过程。结果显示,等离子体经历了亚音速→跨音速→超音速的发展过程,最终获得2.3 Ma的超音速射流。研究结果为超音速等离子体炬的工业应用提供了理论基础。     

Supercubooctahedron (Cs6Cl)2Cs5[Ga15Ge9Se48] Exhibiting Both Cation and Anion Exchange

A novel type of supertetrahedral connectivity is exhibited by the 72‐atom discrete supercubooctahedron in (Cs₆Cl)₂Cs₅[Ga₁₅Ge₉Se₄₈] ( 1 ), which undergoes both cation and anion exchange, as revealed by unambiguous single‐crystal X‐ray diffraction data. Electronic‐structure studies helped to understand the Ge/Ga distribution.     

On the low-temperature anomalies of specific heat in disordered carbon nanotubes

The low-temperature behavior of the specific heat in disordered nanotubes strongly depends on structure changes and is not explained by the phonon contribution. Expression for electronic specific heat is carried out taking into account the multiple elastic electron scattering on impurities and structural inhomogeneities of short-range order type. The calculated electronic specific heat depends on diameter of nanotube, concentration of impurities, parameters of short-range order (structural heterogeneity) and describes the peculiarities of low-temperature behavior of specific heat observed in disordered CNT.     

基于DIS数字信息化系统对透光物质透光性能的研究

采用DIS数字信息化系统,对不同浓度的蓝墨水溶液在激光光源照射下的透射平均照度及照度分布图像进行实验研究,得到了平均照度值随溶液浓度变化的规律。对不同颜色塑料膜片对白炽灯光源透过照度值及照度分布图像进行实验研究得到及其相关之规律。     

Rational Topological Design for Fluorescence Enhancement upon Aggregation of Distyrylfuran Derivatives

A series of 2,5‐distyrylfuran derivatives bearing pentafluorophenyl‐ and cyanovinyl units have been synthesized for aggregation‐induced emission (AIE). The effect of the type and extent of the supramolecular connections on the AIE of the furan derivatives were examined and correlated with their X‐ray crystal structures. It was found that the simultaneous presence of cyano and perfluorophenyl units strongly enhances the fluorescence upon aggregation. Single‐crystal X‐ray diffraction analysis confirmed that C?H???F, F???F, C?H???nitrile, Ar???Ar_F (Ar=aryl, Ar_F=fluoroaryl), and nitrile???Ar_F intra‐ and intermolecular interactions drive the topology of the molecule and that solid‐state supramolecular contacts favor AIE of the furan derivatives.     

Infinite family of transmission irregular trees of even order

Distance between two vertices is the number of edges in a shortest path connecting them in a connected graph $G$. The transmission of a vertex $v$ is the sum of distances from $v$ to all the other vertices of $G$. If transmissions of all vertices are mutually distinct, then $G$ is a transmission irregular graph. It is known that almost no graphs are transmission irregular. Infinite families of transmission irregular trees of odd order were presented in Alizadeh and Klav?ar (2018). The following problem was posed in Alizadeh and Klav?ar (2018): do there exist infinite families of transmission irregular trees of even order? In this article, such a family is constructed.     

Theory of chemical bonds in metalloenzymes XXII: a concerted bond-switching mechanism for the oxygen–oxygen bond formation coupled with one electron transfer for water oxidation in the oxygen-evolving complex of photosystem II

ABSTRACT

QM(UB3LYP)/MM(AMBER) calculations were performed for the locations of the transition structure (TS) of the oxygen–oxygen (O–O) bond formation in the S₄ state of the oxygen-evolving complex (OEC) of photosystem II (PSII). The natural orbital (NO) analysis of the broken-symmetry (BS) solutions was also performed to elucidate the nature of the chemical bonds at TS on the basis of several chemical indices defined by the occupation numbers of NO. The computational results revealed a concerted bond switching (CBS) mechanism for the oxygen–oxygen bond formation coupled with the one-electron transfer (OET) for water oxidation in OEC of PSII. The orbital interaction between the σ-HOMO of the Mn(IV)₄–O₍₅₎ bond and the π*-LUMO of the Mn(V)₁=O₍₆₎ bond plays an important role for the concerted O–O bond formation for water oxidation in the CaMn₄O₆ cluster of OEC of PSII. One electron transfer (OET) from the π-HOMO of the Mn(V)₁=O₍₆₎ bond to the σ*-LUMO of the Mn(IV)₄–O₍₅₎ bond occurs for the formation of electron transfer diradical, where the generated anion radical [Mn(IV)₄–O₍₅₎]^-? part is relaxed to the ?Mn(III)₄?…?O₍₅₎^- structure and the cation radical [O₍₆₎=Mn(V)₁]⁺ ? part is relaxed to the ⁺O₍₆₎–Mn(IV)₁? structure because of the charge-spin separation for the electron-and hole-doped Mn–oxo bonds. Therefore, the local spins are responsible for the one-electron reductions of Mn(IV)₄->Mn(III)₄ and Mn(V)₁->Mn(IV)₁. On the other hand, the O₍₅₎^- and O₍₆₎⁺ sites generated undergo the O–O bond formation in the CaMn₄O₆ cluster. The Ca(II) ion in the cubane- skeleton of the CaMn₄O₆ cluster assists the above orbital interactions by the lowering of the orbital energy levels of π*-LUMO of Mn(V)₁=O₍₆₎ and σ*-LUMO of Mn(IV)₄–O₍₅₎, indicating an important role of its Lewis acidity. Present CBS mechanism for the O–O bond formation coupled with one electron reductions of the high-valent Mn ions is different from the conventional radical coupling (RC) and acid-base (AB) mechanisms for water oxidation in artificial and native photosynthesis systems. The proton-coupled electron transfer (PC-OET) mechanism for the O–O bond formation is also touched in relation to the CBS-OET mechanism.