平面团簇稳定结构的蒙特卡罗树搜索

以平面团簇为例提出了一种结合结构识别和蒙特卡罗树技术搜索稳定结构的新方法.体系原子之间的相互作用由两类模型势能函数来描述:Lennard-Jones二体势函数与基于Lennard-Jones势的三体势函数.考虑可能的三角晶格碎片作为候选结构,引入编号策略对结构进行快速识别,并运用蒙特卡罗树搜索研究稳定结构随着原子数增大的演化过程;对于能量较低的候选结构,进一步采取局域优化来获得对应体系的稳定结构.计算表明,Lennard-Jones二体势函数对应的三角晶格团簇更稳定;在特定的参数下,三体势函数对应的六角晶格团簇更稳定.结合结构识别和蒙特卡罗树搜索可以对候选结构空间进行高效扫描,在较短时间内更容易搜索到稳定的团簇结构,并可以与第一原理计算结合实现材料的结构预测.     

激波与椭圆形重气柱相互作用的PLIF实验

在水平激波管中,采用平面激光诱发荧光(planar laser-induced fluorescence, PLIF)方法对椭圆形重气柱界面的Richtmyer-Meshkov不稳定性进行实验。气柱由SF₆混入一定比例的丙酮蒸气构成,环境气体为空气。通过改变椭圆形气柱的长短轴比值,得到了激波马赫数为1.25时,3种初始界面的演化形态。通过相对体积分数标定,得到了界面失稳演化过程中的相对体积分数分布,观察到了激波作用后界面气体聚集、转移、消散等现象。实验结果发现,对于流向轴长与展向轴长之比较大的气柱界面,初始界面产生的涡量更大且分布更广,其界面不稳定性发展得越迅速和剧烈。失稳发展迅速的界面甚至出现涡对碰撞并产生尾部射流结构的现象。初始界面直接决定了失稳发展初期形成的涡对强度和间距,并对后期演化有重要影响。     

低分子量含氟聚合物的制备、官能化及特性

低分子量含氟聚合物是重要的新型功能材料,在国防工业中占有特殊地位。同时,作为高科技战略物资,近年来逐渐成为研究热点。本文对低分子量含氟聚合物的制备方法、官能化及特性进行了综述,重点介绍了低分子量含氟聚合物的制备和官能化方法的研究进展,并总结和详细介绍了低分子量含氟聚合物的特性,最后对该领域的前景和发展方向进行了展望。     

Zinc Recovery from Wulagen Sulfide Flotation Plant Tail by Applying Ether Amine Organic Collectors

Separating oxidized zinc minerals from flotation tailings is always a challenge. In this study, a flotation tailing from Wulagen zinc mine in China (Zn grade < 1%) was processed using froth flotation with combinations of amines (OPA 10, OPA 1214, OPA 13, DDA) and Na₂S to study the effects of these amines on the zinc recovery as well as their interactions with other reagents, aiming to screen out a proper reagent scheme to improve zinc separation from extremely low-grade zinc flotation tailings. The results show that different amines led to different flotation performance, and the collectors were ranked as OPA 1214, OPA 13, OPA 10 and DDA in a decreasing order based on flotation collectivity and selectivity. An increase in the concentration of each collector increased the zinc recovery but reduced the concentrate zinc grade. Interactions were also observed between different amines and Na₂S and Na₂SiO₃, and OPA 1214 outdid the others in saving the usage of both the Na₂S and Na₂SiO₃. The measured adsorption of collector onto smithsonite was found to correlate well with flotation test results. It was concluded that hydrocarbon chains can be held accountable for the difference in the flotation performance with different amines. The longer the hydrocarbon chain, the stronger the hydrophobic association ability of amine, which is conducive to the selective amine adsorption onto sulfurized smithsonite particles and hence the smithsonite flotation.     

PMT overshoot study for the JUNO prototype detector

The quality of PMT signals is crucial for large-size and high-precision neutrino experiments, but most of these experiments are affected by the overshoot of PMT signals from the positive HV-single cable scheme. Overshoot affects the trigger, dead time and charge measurement from a detector. For the JUNO prototype detector, we have performed a detailed study and calculation on PMT signal overshoot to control the ratio of overshoot to signal amplitude to ~1%, with no effect on other PMT parameters.     

A Mixed Analytical/Numerical Method for Velocity and Heat Transfer of Laminar Power-Law Fluids

This paper presents a relatively simple numerical method to investigate the flow and heat transfer of laminar power-law fluids over a semi-infinite plate in the presence of viscous dissipation and anisotropy radiation. On one hand, unlike most classical works, the effects of power-law viscosity on velocity and temperature fields are taken into account when both the dynamic viscosity and the thermal diffusivity vary as a power-law function. On the other hand, boundary layer equations are derived by Taylor expansion, and a mixed analytical/numerical method (a pseudo-similarity method) is proposed to effectively solve the boundary layer equations. This method has been justified by comparing its results with those of the original governing equations obtained by a finite element method. These results agree very well especially when the Reynolds number is large. We also observe that the robustness and accuracy of the algorithm are better when thermal boundary layer is thinner than velocity boundary layer.     

Scalar Resonance at 750 GeV as Composite of Heavy Vector-Like Fermions

We study a model of scalars which includes both the SM Higgs and a scalar singlet as composites of heavy vector-like fermions. The vector-like fermions are bounded by the super-strong four-fermion interactions. The scalar singlet decays to SM vector bosons through loop of heavy vector-like fermions. We show that the surprisingly large production cross section of di-photon events at 750 GeV resonance and the odd decay properties can all be explained. This model serves as a good model for both SM Higgs and a scalar resonance at 750 GeV.     

ESI‐MS/MS of expanded porphyrins: a look into their structure and aromaticity

Electrospray mass spectrometry/mass spectrometry was used to investigate the gas‐phase properties of protonated expanded porphyrins, in order to correlate those with their structure and conformation. We have selected five expanded meso‐pentafluorophenyl porphyrins, respectively, a pair of oxidized/reduced fused pentaphyrins (22 and 24 π electrons), a pair of oxidized/reduced regular hexaphyrins (26 and 28 π electrons) and a regular doubly N‐fused hexaphyrin (28 π electrons). The gas‐phase behavior of the protonated species of oxidized and reduced expanded porphyrins is different. The oxidized species (aromatic Hückel systems) fragment more extensively, mainly by the loss of two HF molecules. The reduced species (Möbius aromatic or Möbius‐like aromatic systems) fragment less than their oxidized counterparts because of their increased flexibility. The protonated regular doubly fused hexaphyrin (non‐aromatic Hückel system) shows the least fragmentation even at higher collision energies. In general, cyclization through losses of HF molecules decreases from the aromatic Hückel systems to Möbius aromatic or Möbius‐like aromatic systems to non‐aromatic Hückel systems and is related to an increase in conformational distortion. Copyright © 2016 John Wiley & Sons, Ltd.     

Laser direct imaging of transparent indium tin oxide electrodes using high speed stitching techniques

To accomplish an electrode patterning in large area, we present a high speed stitching technique used in an ultraviolet laser processing system and investigate the interaction between laser beams and indium tin oxide (ITO) thin films deposited on glass substrates. After optimizing the process parameters of the laser direct imaging (LDI) for the large-area electrode patterning, the ablated lines looked like regularly fish-scale marks of about a 40 μm diameter and a 120 nm depth around the processing path. The parameters includes the laser power of 1W, the scanning speed of galvanometers of 800 mm/s, and the laser pulse repetition frequency of 50 kHz. Moreover, the resistance value of the ablated ITO thin film is larger than 200MΩ that is electrically insulated from the other regions of electrode structure. LDI technology with UV laser beam has great potential applications in patterning on wafer or sapphire substrates and patterning a conductive layer deposited on the touch panels for semiconductor and optoelectric industries, respectively.     

Ferromagnetic-insulators-modulated transport properties on the surface of a topological insulator

Transport properties on the surface of a topological insulator （TI） under the modulation of a two-dimensional （2D） ferromagnet/ferromagnet junction are investigated by the method of wave function matching. The single ferromagnetic barrier modulated transmission probability is expected to be a periodic function of the polarization angle and the planar rotation angle, that decreases with the strength of the magnetic proximity exchange increasing. However, the transmission probability for the double ferromagnetic insulators modulated n-n junction and n-p junction is not a periodic function of polarization angle nor planar rotation angle, owing to the combined effects of the double ferromagnetic insulators and the barrier potential. Since the energy gap between the conduction band and the valence band is narrowed and widened respectively in ranges of 0 ≤ 0 〈π/2 and r/2 〈 0 ≤ π, the transmission probability of the n-n junction first increases rapidly and then decreases slowly with the increase of the magnetic proximity exchange strength. While the transmission probability for the n-p junction demonstrates an opposite trend on the strength of the magnetic proximity exchange because the band gaps contrarily vary. The obtained results may lead to the possible realization of a magnetic/electric switch based on TIs and be useful in further understanding the surface states of TIs.