Stretching vibrational band intensities of XH3 （X=N, Sb） molecules are investigated employing three-dimensional dipole moment surfaces combined with the local mode Hamiltonian model. The dipole moment surfaces of NH...Stretching vibrational band intensities of XH3 （X=N, Sb） molecules are investigated employing three-dimensional dipole moment surfaces combined with the local mode Hamiltonian model. The dipole moment surfaces of NH3 and SbH3 are calculated with the density functional theory and at the correlated MP2 level, respectively. The calculated band intensities are in good agreement with the available experimental data. The contribution to the band intensities from the different terms in the polynomial expansion of the dipole moments of four group V hydrides （NH3, PH3, AsH3 and SbH3） are discussed. It is concluded that the breakdown of the bond dipole approximation must be considered. The intensity “borrowing” effect due to the wave function mixing among the stretching vibrational states is found to be less significant for the molecules that reach the local mode limit.展开更多
Based on the propagation equation of higher-order intensity moments, analytical propagation expressions for the kurtosis parameters of a super Lorentz-Gauss （SLG） SLG01 beam through a paraxial and real ABCD optical ...Based on the propagation equation of higher-order intensity moments, analytical propagation expressions for the kurtosis parameters of a super Lorentz-Gauss （SLG） SLG01 beam through a paraxial and real ABCD optical system are derived. By replacing the parameters in the expressions of the kurtosis parameters of the SLC01 beam, the kurtosis parameters of the SLG10 and SLGll beams through a paraxial and real ABCD optical system can be easily obtained. The kurtosis parameters of an SLG01 beam through a paraxial and real ABCD optical system depend on two ratios. One is the ratio of the transfer matrix element B to the product of the transfer matrix element A and the diffraction-free range of the super-Lorentzian part. The other is the ratio of the width parameter of the super-Lorentzian part to the waist of the Gaussian part. As a numerical example, the properties of the kurtosis parameters of an SLG01 beam propagating in free space are illustrated. The influences of different parameters on the kurtosis parameters of an SLG01 beam are analysed in detail.展开更多
Line broadening in a diffraction intensity profile of powdered crystalline materials due to stacking fault has been characterized in terms of the zeroth, first, second, third, and fourth moments and the fourth cumulan...Line broadening in a diffraction intensity profile of powdered crystalline materials due to stacking fault has been characterized in terms of the zeroth, first, second, third, and fourth moments and the fourth cumulant. Calculations have been derived showing that the first moment causes a shift in the peak position of the profile while the third moment affects its shape. The intensity expression has been derived on the basis of usual Cartesian coordinates and also of polar coordinates indicated by the probability of the fault and the reciprocal lattice parameter as the two axes. The expressions for the fourth cumulant have also been so derived. Here we have used three different approaches to determine methods for calculating the fourth cumulant due to stacking faults. The three forms of the equations derived here are for different coordinate systems, but will arrive at the same answers.展开更多
The discovery of the neutrino mixing angle θ13 opens new opportunities for the discovery of leptonic CP violation at high intensity neutrino beams. MOMENT, a future neutrino facility with a high-power proton beam of ...The discovery of the neutrino mixing angle θ13 opens new opportunities for the discovery of leptonic CP violation at high intensity neutrino beams. MOMENT, a future neutrino facility with a high-power proton beam of 15 MW from a continuous-wave linac, is focused on that discovery. The high power of the proton beam causes extreme radiation conditions for the facility and especially for the target station, where the pion capture system of five superconducting solenoids is located. In this paper initial studies are performed for the effects of the radiation on the solenoid structure and the area surrounding it. A concept cooling system is also proposed.展开更多
基金Project supported by the National Natural Science Foundation of China （Grant Nos 20103007 and 20473079）.
文摘Stretching vibrational band intensities of XH3 （X=N, Sb） molecules are investigated employing three-dimensional dipole moment surfaces combined with the local mode Hamiltonian model. The dipole moment surfaces of NH3 and SbH3 are calculated with the density functional theory and at the correlated MP2 level, respectively. The calculated band intensities are in good agreement with the available experimental data. The contribution to the band intensities from the different terms in the polynomial expansion of the dipole moments of four group V hydrides （NH3, PH3, AsH3 and SbH3） are discussed. It is concluded that the breakdown of the bond dipole approximation must be considered. The intensity “borrowing” effect due to the wave function mixing among the stretching vibrational states is found to be less significant for the molecules that reach the local mode limit.
基金supported by the National Natural Science Foundation of China(Grant No.10974179)the Natural Science Foundation of Zhejiang Province,China(Grant No.Y1090073)
文摘Based on the propagation equation of higher-order intensity moments, analytical propagation expressions for the kurtosis parameters of a super Lorentz-Gauss （SLG） SLG01 beam through a paraxial and real ABCD optical system are derived. By replacing the parameters in the expressions of the kurtosis parameters of the SLC01 beam, the kurtosis parameters of the SLG10 and SLGll beams through a paraxial and real ABCD optical system can be easily obtained. The kurtosis parameters of an SLG01 beam through a paraxial and real ABCD optical system depend on two ratios. One is the ratio of the transfer matrix element B to the product of the transfer matrix element A and the diffraction-free range of the super-Lorentzian part. The other is the ratio of the width parameter of the super-Lorentzian part to the waist of the Gaussian part. As a numerical example, the properties of the kurtosis parameters of an SLG01 beam propagating in free space are illustrated. The influences of different parameters on the kurtosis parameters of an SLG01 beam are analysed in detail.
文摘Line broadening in a diffraction intensity profile of powdered crystalline materials due to stacking fault has been characterized in terms of the zeroth, first, second, third, and fourth moments and the fourth cumulant. Calculations have been derived showing that the first moment causes a shift in the peak position of the profile while the third moment affects its shape. The intensity expression has been derived on the basis of usual Cartesian coordinates and also of polar coordinates indicated by the probability of the fault and the reciprocal lattice parameter as the two axes. The expressions for the fourth cumulant have also been so derived. Here we have used three different approaches to determine methods for calculating the fourth cumulant due to stacking faults. The three forms of the equations derived here are for different coordinate systems, but will arrive at the same answers.
基金Supported by National Natural Science Foundation of China(11425524,11527811,11575226)Strategic Priority Research Program of the Chinese Academy of Sciences(XDA10010100)
文摘The discovery of the neutrino mixing angle θ13 opens new opportunities for the discovery of leptonic CP violation at high intensity neutrino beams. MOMENT, a future neutrino facility with a high-power proton beam of 15 MW from a continuous-wave linac, is focused on that discovery. The high power of the proton beam causes extreme radiation conditions for the facility and especially for the target station, where the pion capture system of five superconducting solenoids is located. In this paper initial studies are performed for the effects of the radiation on the solenoid structure and the area surrounding it. A concept cooling system is also proposed.
