椭圆偏振强激光场中准直的乙炔分子的高次谐波发射

We perform an experimental study on high-order harmonic generation (HHG) of aligned acetylene molecules induced by a 35-fs 800-nm strong laser field, by using a home-built HHG spectrometer. It is observed that the molecular HHG probability declines with increasing the laser ellipticity, which is in consistence with the deduction from the well-known tunneling-plus-rescattering scenario. By introducing a weak femtosecond laser pulse to nonadiabatically align the molecules, we investigated the molecular orbital effect on the HHG in both linearly and elliptically polarized driving laser fields. The results show that the harmonic intensity is maximum for the molecular axis aligned perpendicularly to the laser electric field. It indicates that both the highest occupied molecular orbitals (HOMO) and HOMO-1 contribute to the strong-field HHG of acetylene molecules. Our study should pave the way for understanding the interaction of molecules with ultrafast strong laser fields.     

Effects of Cu2−xS phase removal on surface potential of Cu2ZnSnS4 thin-films grown by electroplating

Cu₂ZnSnS₄ (CZTS) has an optical band gap of 1.4–1.5 eV, which is similar to that of Cu(In,Ga)Se₂ (CIGS), and a high absorption coefficient (>10⁴ cm⁻¹) in the visible light region. In previous reports, CIGS thin-film solar cells have been shown to improve the performance of the device since the secondary phase is removed by Potassium cyanide (KCN) etching treatment. Therefore, in this study we applied a KCN etching treatment on CZTS and measured the effects. We confirmed the removal of Cu_2−xS via Kelvin probe force microscopy (KPFM) and Raman scattering spectroscopy. The effects of the experiment indicate that we can define with precision the location of the secondary phases, and therefore the control of the secondary phases will be easier and more efficient. Such capabilities could improve the solar cell performance of CZTS thin-films.     

Anisotropy of the electrical conductivity in W-type hexagonal ferrites BaFe18O27 and BaCo2Fe16O27 from first principles

The electronic ground structure and the anisotropy of the electrical conductivity in W-type hexagonal ferrite BaFe₁₈O₂₇ and BaCo₂Fe₁₆O₂₇ have been investigated using the generalized gradient approximation (GGA) plus Hubbard U (GGA+U) calculation. In BaFe₁₈O₂₇, because of the presence of mixed valence states at Fe 6g sites, a half metallic peak appears in energy gap and it results in an “electrical conductive layer”. Using a model in which Fe at 6g sites is assumed to be partially replaced by Co, the electronic ground structure of BaCo₂Fe₁₆O₂₇ and the origin of the electrical conductive anisotropy have been studied. Replacement of Fe at 6g site of BaFe₁₈O₂₇ by Co causes the mixed valence states of Fe cations at 6g sites to vanish and the carrier density to lower. Also, it is shown that effective mass of carrier along c axis is much heavier than that perpendicular to c axis in both of materials from electronic energy band calculation. This is the reason why the electrical resistivities of both materials along c axis are much higher than that perpendicular to axis.     

Dynamics of ice nucleation on water repellent surfaces

Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications.     

Sampling Moiré Method for Accurate Small Deformation Distribution Measurement

In this paper, a novel accurate deformation distribution measurement technique by using sampling moiré method is proposed. The basic principle and an experimental result of a steel beam in symmetric three-point bending are reported. In this method, the measurement area of a target is attached with an adhesive tape of a known pitch grating firstly. An ordinary CCD camera is installed on a fixed point to record the image during deformation. The captured image is analyzed by performing easy image processing, i.e., thinning-out and linear interpolation, to obtain the multiple phase-shifted moiré patterns. Then, the phase distribution of the moiré pattern can be calculated using phase-shifting method. Finally, the deformation distribution is calculated by the grating pitch times the phase difference of before deformation and after deformation. The experimental results in symmetric three-point bending test show that the displacement of the steel beam at loading point agree well with those obtained by an accurate displacement sensor. The average error of displacement measurement is less than 4 μm when 2 mm grating pitch is used, and it corresponds to 1/500 of the grating pitch accuracy. This indicates that noncontact deformation distribution measurement is possible by simple and easy procedure with high accuracy, high speed, and low cost for the structural evaluation of infrastructures.     

Study on new typical ionic clusters K+ (KNO3)n and NO3‐(KNO3)m

The sample solution of KNO₃ is ejected into the gas phase and the ionic dusters of K⁺(KNO₃)_n and NO₃ (KNO₃)_m are formed and observed by electrospray ionization mass spectrometry (ESIMS). Hie full mass spectra of both the positive ion and the negative ion show that the differences between each peak nearby are all about 101 (m/z), which correspond to the molecular weight of KNO₃. The general formula of the ionic clusters can be assigned as K⁺(KNO₃)_n and NO₃′‐(KNO₃)_m..     

原位反应法制备丙烯酸钐/丁腈橡胶复合材料及其荧光性能研究

通过两种不同的原位反应制备了丙烯酸钐/丁腈橡胶[Sm(AA)₃/NBR]复合材料.SEM和TEM结果表明,原位反应使稀土配合物的粒径减小,且均匀地分散在基体聚合物中.荧光分析表明,以260nm作为激发波长时,两种复合材料在379nm(⁴D_1/2,⁶P_7/2→⁶H_5/2)和418nm(⁴L_15/2,⁴G_1/2→⁶H_5/2)处出现了与自由离子基本相同的发射峰(374和390nm),属于受配体微扰的中心离子发光.原位反应制备的复合材料在不同激发波长下的荧光强度均比非原位反应体系的荧光强度高.随着稀土含量的增加,其荧光强度增加,至稀土质量分数为30%时出现荧光猝灭.     

HAsS2异构体结构与稳定性

在MP2/6-311++G(d,p)和QCISD(t)/6-311++G(3df,2p)(单点)水平下计算得到9个异构体和10个过渡态的HAsS₂体系势能面.异构体cis-HSAsS(E1)的能量最低,其次是trans-HSAsS(E2)、具有AsSS三元环的立体HAs(S)S(C_{s,E3)和HAs(S)S(C2v,E4)结构的异构体,能量分别比cis-HSAsS高1.46,60.78和93.63kJ/mol.根据体系的势能面,异构体E1,E2,E3和E4具有一定的动力学稳定性.AsH和S2第一步反应产物将会异构化为具有较高动力学稳定性的异构体E3,而SH和AsS第一步反应产物将会异构化为E1.计算结果与HNO2,HNS2,HPO2,HPS2和HAsO2等价电子相同的分子的势能面进行了比较.}     

挖掘机工作载荷谱识别方法研究

为了快速准确地识别挖掘机等工程机械的工作载荷谱，基于时域内动应变响应与载荷的关系，提出一种新的工作载荷谱识别方法．首先，采集工作中的挖掘机结构上若干测点工作应变谱；其次建立有限元模型，通过有限元方法计算挖掘机在各种可能外载的单位载荷下的应变；最后，建立实测响应与数值模拟测点单位应变之间的关系，通过时间迭代求解结构响应与载荷间关系的线性方程组得到工作载荷谱．为说明方法的实用性和有效性，通过在结构上选择的7个基底测点的假设应变谱和数值模拟单位应变，获得挖掘机样机的工作载荷谱．文章最后讨论了在本文所提方法基础之上求解结构关键位置疲劳应力的方法．     

Surface-Deactivated Core–Shell Metal–Organic Framework by Simple Ligand Exchange for Enhanced Size Discrimination in Aerobic Oxidation of Alcohols

Metal–organic frameworks (MOFs) are an attractive catalyst support for stable immobilization of the active sites in their scaffold due to the high tunability of organic ligands. The active site-functionalized ligands can be easily employed to construct MOFs as porous heterogeneous catalysts. However, the existence of active sites on the external surfaces as well as internal pores of MOFs seriously impedes the selective reaction in the pore. Herein, through a simple post-synthetic ligand exchange (PSE) method we synthesized surface-deactivated (only core-active) core–shell-type MOF catalysts, which contain 2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) groups on the ligand as active sites for aerobic oxidation of alcohols. The porous but catalytically inactive shell ensured the size-selective permeability by sieving effects and induced all reactions to take place in the pores of the catalytically active core. Because PSE is a facile and universal approach, this can be rapidly applied to a variety of MOF-based catalysts for enhancing reaction selectivity.