Spectroscopy and molecule opacity investigation on excited states of SiS

The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.

Two-proton radioactivity from excited states of proton-rich nuclei within Coulomb and Proximity Potential Model

In the present work,we extend the Coulomb and Proximity Potential Model(CPPM)to study two-proton(2p)radioactivity from excited states while the proximity potential is chosen as AW95 proposed by Aage Withner in 1995.Demonstration reveals that the theoretical results acquired by CPPM exhibit a high level of consistency with prior theoretical models such as the unified fission model(UFM),generalized liquid-drop model(GLDM)and effective liquid-drop model(ELDM).Furthermore,within the CPPM,we predicted the half-lives of potential 2p radioactive nuclei for which experimental data are currently unavailable.The predicted results were then assessed,compared with UFM,ELDM and GLDM models,and examined in detail.

Directional Chiral Optical Emission by Electron-Beam-Excited Nano-Antenna

Manipulating directional chiral optical emissions on a nanometer scale is significant for material science research. The electron-beam-excited nanoantenna provides a favorable platform to tune optical emissions at the deep subwavelength scale. Here we present an L-shaped electron-beam-excited nanoantenna(LENA) with two identical orthogonal arms. By selecting different electron-beam impacting sites on the LENA, either the lefthanded circularly polarized(LCP) or the right-handed circularly polarized(RCP) emission can be excited. The LCP and RCP emissions possess different emission directionality, and the emission wavelength depends on the arm length of the LENA. Further, we show a combined nanoantenna with two LENAs of different arm lengths.Induced by the electron beam, LCP and RCP lights emit simultaneously from the nanoantenna with different wavelengths to different directions. This approach is suggested to be informative for investigating electron-photon interaction and electron-beam spectroscopy in nanophotonics.

Role of excited states in helium-like ions on high-order harmonic generation

We theoretically investigate high-order harmonic generation(HHG) of helium(He), lithium cation(Li+), and beryllium dication(Be2+) using the time-dependent Hartree–Fock method to solve the three-dimensional time-dependent Schr ¨odinger equation. It is found that the intensity of the HHG increases significantly from a certain harmonic order below the ionization threshold, and the initial position of the enhancement does not depend on the intensity or the wavelength of the driving laser field. Further analysis shows that excited states play an important role on this enhancement,consistent with the excited-state tunneling mechanism [Phys. Rev. Lett. 116 123901(2016)]. Our results unambiguously show that excited-state tunneling is essential for understanding the enhancement of HHG. Accordingly, a four-step model is herein proposed to illustrate the multiphoton excitation effect in helium-like ions, which enriches the physics of HHG enhancement.

Secondary electron emission and photoemission from a negative electron affinity semiconductor with large mean escape depth of excited electrons

The formulae for parameters of a negative electron affinity semiconductor(NEAS)with large mean escape depth of secondary electrons A(NEASLD)are deduced.The methods for obtaining parameters such asλ,B,E_(pom)and the maximumδandδat 100.0 keV≥E_(po)≥1.0 keV of a NEASLD with the deduced formulae are presented(B is the probability that an internal secondary electron escapes into the vacuum upon reaching the emission surface of the emitter,δis the secondary electron yield,E_(po)is the incident energy of primary electrons and E_(pom)is the E_(po)corresponding to the maximumδ).The parameters obtained here are analyzed,and it can be concluded that several parameters of NEASLDs obtained by the methods presented here agree with those obtained by other authors.The relation between the secondary electron emission and photoemission from a NEAS with large mean escape depth of excited electrons is investigated,and it is concluded that the presented method of obtaining A is more accurate than that of obtaining the corresponding parameter for a NEAS with largeλ_(ph)(λ_(ph)being the mean escape depth of photoelectrons),and that the presented method of calculating B at E_(po)>10.0 keV is more widely applicable for obtaining the corresponding parameters for a NEAS with largeλ_(ph).

A TD-DFT Study for the Excited State Calculations of Microhydration of N-Acetyl-Phenylalaninylamide (NAPA)

Investigating the impact of microhydration on the excited-states and electronic excitation properties of biomolecules has remained one of the important yet challenging aspects of science because of the complexity of developing models. However, with the advent of computational chemistry methods such as TD-DFT, many useful insights about the electronic excitation energy and excited-state nature of biomolecules can be explored. Accordingly, in our study, we have incorporated the TD-DFT/wB97XD/cc-pVTZ method to study the excited state properties of N-acetyl phenylalanine amide (NAPA-A(H2O) n) (n = 1 to 4) clusters from ground to the tenth lowest gaseous singlet excited state. We found that the C=O bond length gradually increases both in N-terminal amide and C-terminal amide after the sequential addition of water molecules because of intermolecular H-bonding and this intermolecular H-bonding becomes weaker after the sequential addition of H2O molecules. The UV absorption maxima of NAPA-A (H2O)n (n = 1 - 4) clusters consisted of two peaks that are S5←S0 (1st absorption) and S6←S0 (2nd absorption) excitations. The first absorption maxima were blue-shifted with the increase in oscillator strength. This means that strong H-bonds reduce the charge transfer and make clusters more rigid. On the other hand, the second absorption maxima were red-shifted with the decrease in oscillator strength. In the ECD spectra, the negative bands indicate the presence of an amide bond and L-configuration of micro hydrated NAPA-A clusters. Finally, our calculated absorption and fluorescence energy confirm that all the NAPA-A (H2O) n (n = 0 - 4) clusters revert to the ground state from the fluorescent state by emitting around 5.490 eV of light.

A simple semiempirical model for the static polarizability of electronically excited atoms and molecules

We present a semiempirical analytical model for the static polarizability of electronically excited atoms and molecules,which requires very few readily accessible input data,including the ground-state polarizability,elemental composition,ionization potential,and spin multiplicities of excited and ground states.This very simple model formulated in a semiclassical framework is based on a number of observed trends in polarizability of electronically excited compounds.To adjust the model,both accurate theoretical predictions and reliable measurements previously reported elsewhere for a broad range of multielectron species in the gas phase are utilized.For some representative compounds of general concern that have not yet attracted sufficient research interest,the results of our multireference second-order perturbation theory calculations are additionally engaged.We show that the model we developed has reasonable(given the considerable uncertainties in the reference data)accuracy in predicting the static polarizability of electronically excited species of arbitrary size and excitation energy.These findings can be useful for many applications,where there is a need for inexpensive and quick assessments of the static gas-phase polarizability of excited electronic states,in particular,when building the complex nonequilibrium kinetic models to describe the observed optical refractivity(dielectric permittivity)of nonthermal reacting gas flows.

中文Google与中文Excite检索寄生虫学专业文献的效果比较

目的对搜索引擎中文 Google与中文 Excite检索寄生虫学专业文献 ,特别是期刊论文的效果进行比较研究和效果评价。方法选取 1 0个本专业关键词组按其要求的检索语法组成提问式分别进行检索 ,对结果按相关度评分统计 ,以检索功能、查准率、检索便捷性、输出格式 4项指标比较分析了两个搜索引擎的检索性能与效果。结果发现功能上二者各有特长 ,查准率中文 Google高于中文 Excite。结论综合性能以中文 Google为优 ,同时提出可采用此类搜索引擎及改进的提问式作为免费检索中文期刊学术文献的有效途径。

基于EXCITE的曲轴系统扭转振动分析

以扭转振动作为优化目标,建立了EXCITE模型,仿真分析了不同飞轮惯量下的轴系扭振的变化规律,然后进行了不同的皮带轮惯量和扭转刚度系数对轴系扭振影响的理论研究,通过选用合理的扭振减振器参数对轴系扭振的影响做了进一步的分析。仿真结果为认识内燃机轴系扭振提供了较为全面的参考信息,对实际工程分析具有一定的指导意义。

Excite搜索功能研究

Excite属于世界知名度很高的搜索引擎,其原因就在于它的检索功能多,检索速度快,检索人性化等,但也存在着不尽人意的地方。

搜索引擎Excite检索功能详述及评析

表述的重点在于通过对搜索引擎 Excite工作原理的介绍及各个检索功能的分析 ,获得关于它的整体认识 。

WWW检索引擎Excite的研究与利用

介绍了ＷＷＷ著名检索引擎Ｅｘｃｉｔｅ的发展及检索技术，针对其检索方式与检索特点进行了深入的分析研究，并在此基础上向用户介绍推荐了Ｅｘｃｉｔｅ的中文检索站点。

Experimental Investigation on Vibration Control of Rotor-bearing System with Active Magnetic Exciter

Vibration control is an efficient way to minimize a rotating machine’s vibration level so that its vibration fault-free can be realized.While,several factors,such as unbalance,misalignment and instability,contribute to the serious vibration of rotating machines.It is necessary that one apparatus can depress vibration caused by two or more reasons.The fault self-recovery(FSR) mechanism is introduced and investigated.Strategies of vibration control are investigated theoretically using numerical method firstly.Active magneticelectric exciter(AME) are selected as the actuator of a FSR device because it can provide suitable force by varying the control current in the exciters depending upon a proportional and derivative control law.By numerical study,it is indicate that only a small control force is needed to improve stability margins of the compressor and prevent subsynchronous vibration fault efficiently.About synchronous vibration,three control strategies,searching in whole circle,fast optimizing control(FOC),and none mistaking control,are investigated to show which of the control strategy can realize the fault self-recovery in the shortest time.Experimental study is conducted on a test rig with variable rotating speed.Results of the test indicate that the non-mistake control strategy can minimize synchronous vibration in less than three seconds.The proposed research can provide a new insight for subsynchronous and synchronous vibration restraining about centrifugal compressor.

基于AVL EXCITE Timing Drive的发动机配气正时分析前处理自动化开发

基于AVL EXCITE Timing Drive对发动机配气正时系统进行自动化二次开发,对各种不同布置的系统通过编写脚本程序建立对应的标准模型模板,运行脚本即可自动完成模型搭建与数据输入,无需逐个零件建模与数据赋予,显著减少了人工操作,大幅缩短了分析周期。

CONTROLLING EROSION OF SAFE BASIN IN NONLINEAR PARAMETRICALLY EXCITED SYSTEMS

This paper considers the dynamical behavior of a Duffing-Mathieu type system with a cubic single-well potential during the principal parametric resonance. Both the cases of constant and time-dependent excitation amplitude are used to observe the variation of the extent and the rate of the erosion in safe basins. It is evident that the appearance of fractal basin boundaries heralds the onset of the losing of structural integrity. The minimum value of control parameter to prevent the basin from erosion is given along with the excitation amplitude varying. The results show the time-dependence of excitation amplitude can be used to control the extent and the rate of the erosion and delay the first occurrence of heteroclinic tangency.

Separate Control of High Frequency Electro-hydraulic Vibration Exciter

The working frequency of the conventional electro-hydraulic vibration exciters,which consist of a servo valve and a hydraulic cylinder,is generally restricted within a narrow range due to limited frequency response capability of the servo valve itself.To counteract such restriction,a novel scheme for an electro-hydraulic vibrator,controlled by a two-dimensional valve（2D valve） and a bias valve in parallel,is therefore proposed.The frequency,amplitude and offset are independently controlled by rotary speed,axial sliding of the spool of the 2D valve and axial sliding of the spool of the bias valve.The principle of separate control was presented and the regulation approach of frequency,amplitude and offset was discussed.A mathematical model of the hydraulic power mechanism for the proposed vibration exciter was established to investigate the relationship between the amplitude and the axial sliding of the 2D valve＇ spool,as well as that between the offset and the axial sliding of the bias valve＇s spool at various frequencies.An experimental system was built to validate the theoretical analysis.It is verified that the 2D exciter is capable of working smoothly in a frequency range of 5- 200 Hz.And its frequency,amplitude and offset can be controlled respectively by either closed loop or open loop method.There is a linear relationship between the output amplitude and the spool axial opening of the 2D valve until a point when the flow rate becomes saturate and the amplitude remains constant.The offset displacement of the cylinder＇s piston is linearly proportional to the axial displacement of the spool of the bias valve,when the valve opening is less than 25%.Thereafter,the slop of the offset curve decreases and tends to saturate.The proposed electro-hydraulic vibration controlled by the 2D valve not only facilitates the realization of high-frequency electro-hydraulic vibration,the high-accuracy of vibration can also be achieved by means of independent controls to the frequency,amplitude and offset.

Si_2O_2 molecule:structure of ground state and the excited properties under different external electric fields

Geometry and vibrational frequencies of the ground state of Si2O2 molecule are studied using density function theory （DFT） at the level of cc-pvtz and 6-311-k＋G^＊＊. It is found that the optimizing value by B31yp/cc-pvtz is closer to the experimental data. The excited properties under different external electric fields are also investigated by the time-dependent-DFT method. Transitions from the ground state of Si2O2 molecule to the first singlet state under different external electric fields can take place more easily. The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.

Si _3O cluster:excited properties under external electric field and oxygen-deficient defect models

This paper investigates the excited states of Si3O molecule by using the single-excitation configuration interaction and density functional theory. It finds that the visible light absorption spectrum of Si3O molecule comprises the yellow and the purple light without external electric field, however all the visible light is included except the green light under the action of external electric field. Oxygen-deficient defects, which also can be found in Si3O molecule, have been used to explain the 1 from silicon-based materials but the microstructures of the materials are still uncertain Our results accord with the experimental values perfectly, this fact suggests that the structure of Si3O molecule is expected to be one of the main basic structures of the materials, so the oxygen-deficient defect structural model for Si3O molecule also has been provided to research the structures of materials.