First-principles study of the structural, elastic, electronic, optical, and vibrational properties of intermetallic Pd2Ga

The structural,elastic,electronic,optical,and vibrational properties of the orthorhombic Pd2Ga compound are investigated using the norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory.The calculated lattice parameters have been compared with the experimental values and found to be in good agreement with these results.The second-order elastic constants and the other relevant quantities,such as the Young’s modulus,shear modulus,Poisson’s ratio,anisotropy factor,sound velocity,and Debye temperature,have been calculated.It is shown that this compound is mechanically stable after analysing the calculated elastic constants.Furthermore,the real and imaginary parts of the dielectric function and the optical constants,such as the optical dielectric constant and the effective number of electrons per unit cell,are calculated and presented.The phonon dispersion curves are derived using the direct method.The present results demonstrate that this compound is dynamically stable.     

Leader-following consensus criteria for multi-agent systems with time-varying delays and switching interconnection topologies

We consider multi-agent systems with time-varying delays and switching interconnection topologies.By constructing a suitable Lyapunov-Krasovskii functional and using the reciprocally convex approach,new delay-dependent consensus criteria for the systems are established in terms of linear matrix inequalities(LMIs),which can be easily solved by using various effective optimization algorithms.Two numerical examples are given to illustrate the effectiveness of the proposed methods.     

Highly efficient Cherenkov radiation generation in the irregular point of hollow-core photonic crystal fiber

Highly efficient Cherenkov radiation(CR) is generated by the soliton self-frequency shift(SSFS) in the irregular point of a hollow-core photonic crystal fiber(HC-PCF) in our laboratory.The impacts of pump power and wavelength on the CR are investigated,and the corresponding nonlinear processes are discussed.When the average power of the 120 fs pump pulse increases from 500 mW to 700 mW,the Raman soliton shifts from 2210 nm to 2360 nm,the output power of the CR increases by 2.3 times,the maximum output power ratio of the CR at 539 nm to that of the residual pump is calculated to be 24.32:1,the width of the output optical spectrum at the visible wavelength broadens from 35 nm to 62 nm,and the conversion efficiency η of the CR in the experiment can be above 32%.     

Generation of an extreme ultraviolet supercontinuum with a multicycle chirped laser and a static electric field

We theoretically present a method for generating an ultrabroad extreme ultraviolet(XUV) supercontinuum by using the combination of a multicycle chirped laser and a static electric field.At a low laser intensity,the spectral cutoff is extended to the 495th order harmonic,and the bandwidth of the supercontinuum spectrum is broadened to 535 eV.At a high laser intensity,the harmonic cutoff is enlarged to the 667th order,and a supercontinuum covering a bandwidth of 1035 eV is generated.In these two cases,the long quantum path is removed,and the short quantum path is selected.Especially for the relatively high laser intensity,an isolated 23-attosecond pulse with a bandwidth of about 170.6 eV is directly obtained.Finally,we also analyze the influences of the chirp parameter and the duration of the chirped pulse as well as the static field strength on the supercontinuum.     

Measurements of NO2 mixing ratios with topographic target light scattering-differential optical absorption spectroscopy system and comparisons to point monitoring technique

A topographic target light scattering-differential optical absorption spectroscopy(ToTaL-DOAS) system is developed for measuring average concentrations along a known optical path and studying surface-near distributions of atmospheric trace gases.The telescope of the ToTaL-DOAS system points to targets which are located at known distances from the measurement device and illuminated by sunlight.Average concentrations with high spatial resolution can be retrieved by receiving sunlight reflected from the targets.A filed measurement of NO2 concentration is performed with the ToTaL-DOAS system in Shijiazhuang in the autumn of 2011.The measurement data are compared with concentrations measured by the point monitoring technique at the same site.The results show that the ToTaL-DOAS system is sensitive to the variation of NO2 concentrations along the optical path.     

表面润湿法合成β沸石体系中晶种作用的研究

系统研究了表面润湿法合成β沸石的体系中,干晶种、润湿态晶种、异晶晶种(Y沸石、ZSM 5沸石)以及碱处理β沸石晶种在此晶化体系中的作用.采用β沸石产品及异晶作晶种时,可使产品的相对结晶度稍有提高,但对沸石微晶核的结构导向作用不明显.经浓碱液处理20min后的β沸石产品(碱处理晶种)作晶种引入晶化体系后,可以显著提高产品的相对结晶度,降低模板剂的用量,缩短晶化诱导期,成为表面润湿法合成β沸石体系的有效晶种形式.     

超导材料的各向异性特征与超导转变温度T_c

在本文中,以电声子机制超导电性理论为基础,用电负性均衡原理研究了由于超导材料的各向异性引起的电子态密度分布的不均匀性,晶格稳定性的差异性及超导材料中元素成键特征对超导转变温度影响的特征,提出了在各向异性的超导材料中电声子机制可以产生高的超导转变温度Tc.     

Precision position measurement of single atom

Atom localization in a five-level atomic system under the effect of three driving fields and one standing wave field is suggested. A spontaneously emitted photon from the proposed system is measured in a detector. Precision position measurement of an atom is controlled via phase and vacuum field detuning without considering the parity violation.     

Exchange coupling and helical spin order in the triangular lattice antiferromagnet CuCrO₂ using first principles

The magnetic and electronic properties of the geometrically frustrated triangular antiferromagnet CuCrO2 are investigated by first principles through density functional theory calculations within the generalized gradient approximations (GGA)+U scheme. The spin exchange interactions up to the third nearest neighbours in the ab plane as well as the coupling between adjacent layers are calculated to examine the magnetism and spin frustration. It is found that CuCrO2 has a natural two-dimensional characteristic of the magnetic interaction. Using Monte-Carlo simulation, we obtain the Neel temperature to be 29.9 K, which accords well with the experimental value of 24 K. Based on non-collinear magnetic structure calculations, we verify that the incommensurate spiral-spin structure with (110) spiral plane is believable for the magnetic ground state, which is consistent with the experimental observations. Due to intra-layer geometric spin frustration, parallel helical-spin chains arise along the a, b, or a + b directions, each with a screw-rotation angle of about 120°. Our calculations of the density of states show that the spin frustration plays an important role in the change of d-p hybridization, while the spin-orbit coupling has a very limited influence on the electronic structure.     

Primary result of ~(236)U measurement with accelerator mass spectrometry at CIAE

The rare isotope 236U has a half-life of 2.342(3)×107 years,and is produced principally by thermal neutron capture on 235U.The isotopic atom ratio of 236U/238U depends on the integral thermal neutron flux received by the material of interest.236U is potentially useful as a fingerprint for indicating the presence of neutron-irradiated uranium usually originating from nuclear activity.By extracting negative molecular ion UO- from the uranium oxide target,simulating the 236U16O- beam transport with 238U16O- an...