石英晶体板非线性高频振动的拓展伽辽金法分析

针对考虑几何和材料非线性的石英晶体板厚度剪切振动和弯曲振动的方程组,利用扩展伽辽金法对该方程组进行转化和求解,分别获得了强烈耦合的厚度剪切振动模态和弯曲振动模态的频率响应关系,绘制了不同振幅比和不同驱动电压影响下的频率响应曲线图。数值计算结果表明可以选取石英晶片的最佳长厚比尺寸来避免两种模态的强烈耦合。驱动电压的变化将引起石英晶体谐振器厚度剪切振动频率的明显改变,必须将振动频率的漂移值控制在常用压电声波器件的允许值之内。扩展伽辽金法对石英晶体板非线性振动方程组的求解为非线性有限元分析和偏场效应分析奠定了基础。     

Facile preparation of Ag/Ag2WO4/g‐C3N4 ternary plasmonic photocatalyst and its visible‐light photocatalytic activity

Introducing plasmonic metals into semiconductor materials has been proven to be an attractive strategy for enhancing photocatalytic activity in the visible region. In this work, a novel and efficient Ag/Ag₂WO₄/g‐C₃N₄ (AACN) ternary plasmonic photocatalyst was successfully synthesized using a facile one‐step in situ hydrothermal method. The composition, structure, morphology and optical absorption properties of AACN were investigated using X‐ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and UV–visible diffuse reflectance spectroscopy, respectively. Photocatalytic performance of AACN was evaluated via rhodamine B and tetracycline degradation. The results indicated that AACN had excellent photocatalytic performance for rhodamine B degradation with a rate constant of 0.0125 min^?1, which was higher than those of Ag₂WO₄ and Ag/Ag₂WO₄. Characterization and photocatalytic tests showed that the strong coupling effect between the Ag/Ag₂WO₄ nanoparticles and the exfoliated ultrathin g‐C₃N₄ nanosheets was superior for visible‐light responsivity and reduced the recombination rate of photogenerated electrons and holes. A proposed mechanism is also discussed according to the band energy structure and the experimental results.     

Syntheses,Crystal Structures and Fluorescence Properties of Three Complexes Based on 2,2'-Quinoline-4,4'-dicarboxylic Ligands

Crystallography Reports - Three new coordination complexes, [Mn(L)(H2O)4⋅(H2O)3]2 (1), [Mg(L)(H2O)4⋅(H2O)3]2 (2), and [Cu(L)(phen)⋅(H2O)4]2 (3) (H2L =...     

Demonstration of joule-level chirped pulse amplification based on tiled Ti:sapphire amplifier

A novel tiled Ti:sapphire(Ti:S)amplifier was experimentally demonstrated with>1 J amplified chirped pulse output.Two Ti:S crystals having dimensions of 14 mm×14 mm×25 mm were tiled as the gain medium in a four-pass amplifier.Maximum output energy of 1.18 J was obtained with 2.75 J pump energy.The energy conversion efficiency of the tiled Ti:S amplifier was comparable with a single Ti:S amplifier.The laser pulse having the maximum peak power of 28 TW was obtained after the compressor.Moreover,the influence of the beam gap on the far field was discussed.This novel tiled Ti:S amplifier technique can provide a potential way for 100 PW or EW lasers in the future.     

高居里温度铁电单晶PIN-PT的机电性能

弛豫铁电单晶Pb(In_1/2Nb_1/2)O₃-PbTiO₃(PIN-PT)相较于常用的Pb(Mg_1/3Nb_2/3)O₃-PbTiO₃(PMN-PT)具有更高的居里温度,在高稳定性、高性能的传感器、换能器方面具有应用前景。本工作采用谐振法研究了[001]方向极化的0.66PIN-0.34PT铁电单晶的全矩阵机电性能参数。0.66PIN-0.34PT 单晶的三方-四方相变温度(T_RT)约为160 ℃,居里温度(T_C)约为260 ℃,室温压电系数d₃₃、d₃₁、d₁₅分别为1 340 pC/N、-780 pC/N、321 pC/N,介电常数ε^T₃₃、ε^S₃₃、ε^T₁₁、ε^S₁₁分别为2 700、905、2 210、1 927,机电耦合系数 k₃₃、k₃₁、k₁₅、k_t分别为 87%、58%、38%、61%。其纵向压电常数(d₃₃)和纵向机电耦合系数(k₃₃)小于 PMN-PT 单晶,但是横向压电性能(d₃₁)和剪切压电性能(d₁₅)都略高于PMN-PT单晶。另外,研究了机电耦合性能随温度的变化趋势,发现0.66PIN-0.34PT单晶在150 ℃以下有较好的温度稳定性。     

On s-hamiltonian line graphs of claw-free graphs

For an integer $s\ge 0$, a graph $G$ is $s$-hamiltonian if for any vertex subset $S?V\left(G\right)$ with $\left|S\right|\le s$, $G?S$ is hamiltonian, and $G$ is $s$-hamiltonian connected if for any vertex subset $S?V\left(G\right)$ with $\left|S\right|\le s$, $G?S$ is hamiltonian connected. Thomassen in 1984 conjectured that every 4-connected line graph is hamiltonian (see Thomassen, 1986), and Ku?zel and Xiong in 2004 conjectured that every 4-connected line graph is hamiltonian connected (see Ryjá?ek and Vrána, 2011). In Broersma and Veldman (1987), Broersma and Veldman raised the characterization problem of $s$-hamiltonian line graphs. In Lai and Shao (2013), it is conjectured that for $s\ge 2$, a line graph $L\left(G\right)$ is $s$-hamiltonian if and only if $L\left(G\right)$ is $(s+2)$-connected. In this paper we prove the following.(i) For an integer $s\ge 2$, the line graph $L\left(G\right)$ of a claw-free graph $G$ is $s$-hamiltonian if and only if $L\left(G\right)$ is $(s+2)$-connected.(ii) The line graph $L\left(G\right)$ of a claw-free graph $G$ is 1-hamiltonian connected if and only if $L\left(G\right)$ is 4-connected.     

Crystal structures of silicon-rich lithium silicides at high pressure

Silicon (Si) is one of the most essential elements, as it is indispensable for modern electronic technology. The standard Si structure at ambient conditions is the cubic diamond structure, and it has an indirect band gap, which prevents it from being considered as a next-generation platform for semiconductor technologies. Therefore, the search for new allotropes of silicon has attracted great attention. Herein, first principles swarm-intelligence structure searches coupled with density-functional theory were performed to explore the stable high-pressure phases of silicon-rich lithium containing compounds, LiSi_x ($x=4\text{–}8$). The LiSi₄ stoichiometry was predicted to be stable, and it was found to assume one of the following space groups, P4/mnc, Cmmm, and C2/m within the pressure range of 0 to 50 GPa. By removing the Li atoms from these compounds, three silicon allotropes were obtained that were metastable at ambient pressures. Our work illustrates how novel silicon allotropes can be predicted using the CALYPSO method.     

Multi-targeted molecular docking,drug-likeness and ADMET studies of derivatives of few quinoline- and acridine-based FDA-approved drugs for anti-breast cancer activity

Structural Chemistry - Quinoline- and acridine-based drugs are widely used as anti-breast cancer agents. These drugs act through various mechanisms of action; for example, neratinib acts on...