Low dispersion finite volume scheme based on reconstruction with minimized dispersion and controllable dissipation

The reconstruction with minimized dispersion and controllable dissipation(MDCD) optimizes dispersion and dissipation separately and shows desirable properties of both dispersion and dissipation.A low dispersion finite volume scheme based on MDCD reconstruction is proposed which is capable of handling flow discontinuities and resolving a broad range of length scales.Although the proposed scheme is formally second order accurate,the optimized dispersion and dissipation make it very accurate and robust so that the rich flow features encountered in practical engineering applications can be handled properly.A number of test cases are computed to verify the performances of the proposed scheme.     

Tensor force effect on proton shell structure in neutron-rich Ca isotopes

In the framework of the Skyrme-Hartree-Fock approach with 36 sets of the TI J parameterizations,the tensor force effect on the evolution of the single-proton states in the calcium isotopes is systematically investigated.It is shown that the single-proton states with higher angular momenta are influenced significantly by the tensor force and the trend in the evolution of somesingle-particle energy differences with the mass number of the isotopes depends sensitively on a parameter βT associated with the intensity of the tensor force.To understand this phenomenon,we analyze the spin-orbit potentials and the radial wave functions of relevant single-proton orbits in detail.In addition,it is found that some TI J interactions could cause the 2s1/21d3/2 energy level inversion in 48Ca.     

Application of wavelet transform in-ray spectra analysis

The frequency distribution of different ingredients in-ray spectra,e.g.,photo-peak,fluctuations of counts and Compton region,is separately analyzed.After wavelet transform of-ray spectra,the wavelet coefficients of a photo-peak increase with transforming scales and these coefficients show direct proportion with intensity of peak at determinate scale.A novel algorithm based on wavelet transform is proposed and studied.The results indicate that most of the photo-peaks in multi-spectra can be determined accurately,the-rays energy and intensity of the peak can also be determined.This method has the prospect of being applied in on-line multi-spectra analysis in such fields as radioprotection and nuclear safety monitoring.     

SiO2∶Sm粉体：溶胶-凝胶法制备及特殊荧光性能

采用溶胶-凝胶法制备SiO2:Sm粉体,通过TG-DSC、FTIR、MAS-NMR、PL对材料的结构和性能进行测试表征.FTIR分析显示样品位于960 cm-1的吸收峰归属于Si-O-Sm键的变形振动,29Si MAS-NMR证实Sm3+进入SiO2网络结构.在380 nm入射光激发下样品产生除Sm3+特征发光以外的蓝绿荧光,对不同Sm3+掺量样品荧光性能进行对比分析,结果表明这种特殊的荧光发射与Si-O-Sm键的形成有关.     

CuNaY分子筛的制备及其催化甲醇氧化羰基化

采用多种铜盐溶液与NaY分子筛离子交换制备了CuNaY催化剂,通过加入氨水提高溶液pH值以及高温活化,显著提高了该催化剂对甲醇氧化羰基化合成碳酸二甲酯的反应活性。不同的铜盐水溶液交换制备的CuNaY催化剂催化活性不同,添加氨水将溶液pH值调节为11后,离子交换制备的CuNaY催化剂的催化活性和DMC选择性明显升高且趋于一致。经元素分析、XRD、XPS和H₂-TPR表征可知,加入氨水可促进Cu²⁺离子交换的进行,提高CuNaY催化剂中Cu的交换量,催化剂中约75%的Cu²⁺定位于分子筛的超笼中。     

Synthesis and Properties of Novel Luminescent Compounds Containing Triphenylamine and Bipyridine Units

Blue luminescent compounds T1-T4 containing triphenylamine donors,bipyridine acceptors and olefinic linkers were synthesized and characterized by 1H NMR,13C NMR and high resolution mass spectrometry(HR...     

From cluster assembly to ultrathin nanocrystals and complex nanostructures

Ultrathin nanostructures have attracted much attention in recent years due to their predictable novel properties and various potential applications. The improvement in synthetic skills has led to many successful syntheses of nanostructures including zerodimensional (0D) nanoclusters, one-dimensional (1D) nanowires, two-dimensional (2D) nanosheets and other higher-level complex nanostructures, where cluster-assembly of primary nanocrystals is a common process. In this review, progress in ultrathin nanocrystals in the last decade and several important factors in the growth mechanisms are covered. By giving examples of cluster assembly from 1D to 3D nanostructures, the utility of cluster assembly in the synthesis of new materials has been demonstrated.     

GEOMETRIC AND ELECTRONIC STRUCTURES OF Ti8C12 CLUSTER

The electronic structure of Ti₈C₁₂ clusters with three possible geometric structures suggested in the literature is studied using the discrete-variational local-density-functional method. The results show that the ground states of the clusters are all degenerate, which means further Jahn-Teller distortions for the geometric structures of clusters. The results also indicate that the distorted dodecahedral Ti₈C₁₂ cluster, which is proposed by Guo et al. and optimized by the first principle calculations, is the most stable one among the clusters we considered and its electronic structure can explain the experimental observations. In this cluster, there is a strong pd bonding between Ti and C atoms, and the density of states at the Fermi energy is high.     

A DOUBLE-TEMPERATURE-GRADIENT TECHNIQUE FOR THE GROWTH OF PURE C60 SINGLE CRYSTALS FROM THE VAPOR PHASE

Pure C₆₀ single crystals were grown by a sublimation-condensation method in an evacuated dosed quartz tube situated in a double-temperature-gradient furnace. Large C₆₀ single crystals, up to a size of 0.6 mm×1.0 mm×2.0 mm with quite smooth and shiny faces, were obtained. X-ray diffraction, electron diffraction and X-ray morphology were carried out and showed that the quality of large C₆₀ single crystals grown by the double-temperature-gradient technique is excellent. In this paper the experimental results of the growth of large C₆₀ single crystals are reported and the morphological and structural characterizations are discussed in detail.     

DISSOLUTION OF IRON TO COPPER IN Fe60Cu40 ALLOY BY MECHANICAL ALLOYING AND SUBSEQUENT DECOMPOSITION

A metastable alloy with composition Fe₆₀Cu₄₀ can be prepared in single phase of a fcc structure by mechanical alloying, although Fe-Cu system is virtually immiscible in its equilibrium state at ambient temperature. The M?ssbauer spectra of this supersaturated solid solution could be fitted by two subspectra whose hyperfine magnetic fields are 200 kOe and 250kOe. In this metastable alloy, the iron atoms at the interface are easy to form clusters characterized as α-Fe at a temperature below 250℃, whereas the iron atoms in the body will cluster together at a higher temperature above 350℃ and behave as γ-Fe, and then transform to ferromagnetic bcc iron occurs.