The properties of C-H vibration softening for CH2 and CHa radicals absorbed on Cun（n=1-6） clusters have been investigated, using the density functional theory with hybrid functional. The results indicate that the ab...The properties of C-H vibration softening for CH2 and CHa radicals absorbed on Cun（n=1-6） clusters have been investigated, using the density functional theory with hybrid functional. The results indicate that the absorption of CH2 on Cu clusters is stronger than the case of CH3. The vibrational frequencies of C-H bonding agree with the experimental results obtained for CH2 and CH3 absorbed on Cu（111）. With the increase of cluster size, the softening （Einstein shift） of C-H vibrational modes become stronger.展开更多
Higher-order shear and normal deformation theory is used in this paper to account thickness stretching effect for free vibration analysis of the cylindrical micro/nano shell subjected to an applied voltage and uniform...Higher-order shear and normal deformation theory is used in this paper to account thickness stretching effect for free vibration analysis of the cylindrical micro/nano shell subjected to an applied voltage and uniform temperature rising.Size dependency is included in governing equations based on the modified couple stress theory.Hamilton’s principle is used to derive governing equations of the cylindrical micro/nano shell.Solution procedure is developed using Navier technique for simply-supported boundary conditions.The numerical results are presented to investigate the effect of significant parameters such as some dimensionless geometric parameters,material properties,applied voltages and temperature rising on the free vibration responses.展开更多
Experimental vibrational spectra of heavy light XH stretching vibrations of simple molecules have been analyzed using the local mode model.In addition,the bond dipole approach,which assumes that the transition dipole ...Experimental vibrational spectra of heavy light XH stretching vibrations of simple molecules have been analyzed using the local mode model.In addition,the bond dipole approach,which assumes that the transition dipole moment(TDM)of the XH stretching mode is aligned along the XH bond,has helped analyze experimental spectra.We performed theoretical calculations of the XH stretching vibrations of HOD,HND^−,HCD,HSD,HPD^−,and HSiD using local mode model and multi-dimensional normal modes.We found that consistent with previous notions,a localized 1D picture to treat the XH stretching vibration is valid even for analyzing the TDM tilt angle.In addition,while the TDM of the OH stretching fundamental transition tilted away from the OH bond in the direction away from the OD bond,that for the XH stretching fundamental of HSD,HND^−,HPD^−,HCD,and HSiD tilted away from the OH bond but toward the OD bond.This shows that bond dipole approximation may not be a good approximation for the present systems and that the heavy atom X can affect the transition dipole moment direction.The variation of the dipole moment was analyzed using the atoms-in-molecule method.展开更多
The influence of vibration on the spatiotemporal structure of the pattern in dielectric barrier discharge is studied for the first time.The spatiotemporal structure of the pattern investigated by an intensified charge...The influence of vibration on the spatiotemporal structure of the pattern in dielectric barrier discharge is studied for the first time.The spatiotemporal structure of the pattern investigated by an intensified charge-coupled device shows that it is an interleaving of three sublattices, whose discharge sequence is small rods–halos–large spots in each half-cycle of the applied voltage.The result of the photomultiplier indicates that the small rods are composed of moving filaments.The moving mode of the moving filaments is determined to be antisymmetric stretching vibration by analyzing a series of consecutive images taken by a high-speed video camera.The antisymmetric stretching vibration affects the distribution of wall charges and leads to the halos.Furthermore, large spots are discharged only at the centers of the squares consisting of vibrating filaments.The vibration mechanism of the vibrating filaments is dependent on the electric field of wall charges.展开更多
We apply the strong-field Lewenstein model to demonstrate the high-order harmonic generation of CO2 with three vibrational modes（balance vibration,bending vibration,and stretching vibration） driven by an intense las...We apply the strong-field Lewenstein model to demonstrate the high-order harmonic generation of CO2 with three vibrational modes（balance vibration,bending vibration,and stretching vibration） driven by an intense laser field.The results show that the intensity of harmonic spectra is sensitive to molecular vibrational modes,and the high harmonic efficiency with stretching vibrational mode is the strongest.The underlying physical mechanism of the harmonic emission can be well explained by the corresponding ionization yield and the time-frequency analysis.Finally,we demonstrate the attosecond pulse generation with different vibrational modes and an isolated attosecond pulse with a duration of about 112 as is generated.展开更多
The transverse stretching vibration of thick sandwich plates,which is attributed to largely different stiffness at the adjacent layers,is a challenging issue,and efficient approach for such issue is less reported in t...The transverse stretching vibration of thick sandwich plates,which is attributed to largely different stiffness at the adjacent layers,is a challenging issue,and efficient approach for such issue is less reported in the published literature.Thus,natural frequencies corresponding to stretching vibration modes are generally neglected in engineering design,which might impact structural safety as frequencies of the exciting force are close to transverse stretching vibration frequencies.This paper proposes an alternative higher-order model for dynamic analysis corresponding to the higher-order vibration modes.The proposed model is classified in the displacement-based equivalent single-layer theory,as the number of displacement parameters in the proposed model is independent of the layer number.The continuity of displacements and transverse shear stresses can be fulfilled at the interfaces between the adjacent layers of structures.To demonstrate the capability of the proposed model,typical examples are analyzed by utilizing the proposed model,the threedimensional finite element method and the chosen higher-order models.By comparing with the exact three-dimensional elasticity solutions,it is found that the proposed model can yield more accurate natural frequencies corresponding to the higher-order displacement modes than the selected models.Moreover,the factors influencing reasonable prediction of the higher-order frequencies are investigated in detail,which can provide a reference for the accurate prediction of the higher-order frequencies.展开更多
The discrepancies of the spectral behavior for the C-H stretching band between some long chain hydrocarbon compounds and steroids were investigated. At low temperature, the C-H stretching bands exhibit complex fine st...The discrepancies of the spectral behavior for the C-H stretching band between some long chain hydrocarbon compounds and steroids were investigated. At low temperature, the C-H stretching bands exhibit complex fine structure in steroids but remain simple in long chain hydrocarbon compounds. MM3 molecular mechanics calculation indicates that, for long chain hydrocarbon compounds, the C-H groups vibrate with large scale coupling. There exist a few bands where the C-H groups vibrate in synchronous and inphase mode. Thus the variations of dipole moment for these bands are enhanced and the intensities are obviously stronger than others and cover other band in the spectra. This is just the reason why the C-H stretching bands are simple even at low temperature environment. Nevertheless, for the steroids, the C-H stretching bands vibrate with local coupling mode. The synchronous enhancement effect does not occur, the differences of intensities for various modes are not as large as those in long chain hydrocarbon compounds. Hence the fine spectral structure could be observed in cryogenic FT-IR spectra. The structural basis for the above phenomenon is that the C-H groups in long chain hydrocarbon compound exist in the similar microenvironment, while the C-H group occurred in different microenvironment for steroids.展开更多
文摘The properties of C-H vibration softening for CH2 and CHa radicals absorbed on Cun（n=1-6） clusters have been investigated, using the density functional theory with hybrid functional. The results indicate that the absorption of CH2 on Cu clusters is stronger than the case of CH3. The vibrational frequencies of C-H bonding agree with the experimental results obtained for CH2 and CH3 absorbed on Cu（111）. With the increase of cluster size, the softening （Einstein shift） of C-H vibrational modes become stronger.
基金The authors would like to thank the Iranian Nanotechnology Development Committee for their financial support.
文摘Higher-order shear and normal deformation theory is used in this paper to account thickness stretching effect for free vibration analysis of the cylindrical micro/nano shell subjected to an applied voltage and uniform temperature rising.Size dependency is included in governing equations based on the modified couple stress theory.Hamilton’s principle is used to derive governing equations of the cylindrical micro/nano shell.Solution procedure is developed using Navier technique for simply-supported boundary conditions.The numerical results are presented to investigate the effect of significant parameters such as some dimensionless geometric parameters,material properties,applied voltages and temperature rising on the free vibration responses.
文摘Experimental vibrational spectra of heavy light XH stretching vibrations of simple molecules have been analyzed using the local mode model.In addition,the bond dipole approach,which assumes that the transition dipole moment(TDM)of the XH stretching mode is aligned along the XH bond,has helped analyze experimental spectra.We performed theoretical calculations of the XH stretching vibrations of HOD,HND^−,HCD,HSD,HPD^−,and HSiD using local mode model and multi-dimensional normal modes.We found that consistent with previous notions,a localized 1D picture to treat the XH stretching vibration is valid even for analyzing the TDM tilt angle.In addition,while the TDM of the OH stretching fundamental transition tilted away from the OH bond in the direction away from the OD bond,that for the XH stretching fundamental of HSD,HND^−,HPD^−,HCD,and HSiD tilted away from the OH bond but toward the OD bond.This shows that bond dipole approximation may not be a good approximation for the present systems and that the heavy atom X can affect the transition dipole moment direction.The variation of the dipole moment was analyzed using the atoms-in-molecule method.
文摘The influence of vibration on the spatiotemporal structure of the pattern in dielectric barrier discharge is studied for the first time.The spatiotemporal structure of the pattern investigated by an intensified charge-coupled device shows that it is an interleaving of three sublattices, whose discharge sequence is small rods–halos–large spots in each half-cycle of the applied voltage.The result of the photomultiplier indicates that the small rods are composed of moving filaments.The moving mode of the moving filaments is determined to be antisymmetric stretching vibration by analyzing a series of consecutive images taken by a high-speed video camera.The antisymmetric stretching vibration affects the distribution of wall charges and leads to the halos.Furthermore, large spots are discharged only at the centers of the squares consisting of vibrating filaments.The vibration mechanism of the vibrating filaments is dependent on the electric field of wall charges.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61575077,11271158,and 11574117)
文摘We apply the strong-field Lewenstein model to demonstrate the high-order harmonic generation of CO2 with three vibrational modes（balance vibration,bending vibration,and stretching vibration） driven by an intense laser field.The results show that the intensity of harmonic spectra is sensitive to molecular vibrational modes,and the high harmonic efficiency with stretching vibrational mode is the strongest.The underlying physical mechanism of the harmonic emission can be well explained by the corresponding ionization yield and the time-frequency analysis.Finally,we demonstrate the attosecond pulse generation with different vibrational modes and an isolated attosecond pulse with a duration of about 112 as is generated.
基金co-supported by the National Natural Science Foundation of China(No.12172295)SKLLIM1902the Natural Science Foundation in Shaanxi Province,China(No.2019JQ-909)。
文摘The transverse stretching vibration of thick sandwich plates,which is attributed to largely different stiffness at the adjacent layers,is a challenging issue,and efficient approach for such issue is less reported in the published literature.Thus,natural frequencies corresponding to stretching vibration modes are generally neglected in engineering design,which might impact structural safety as frequencies of the exciting force are close to transverse stretching vibration frequencies.This paper proposes an alternative higher-order model for dynamic analysis corresponding to the higher-order vibration modes.The proposed model is classified in the displacement-based equivalent single-layer theory,as the number of displacement parameters in the proposed model is independent of the layer number.The continuity of displacements and transverse shear stresses can be fulfilled at the interfaces between the adjacent layers of structures.To demonstrate the capability of the proposed model,typical examples are analyzed by utilizing the proposed model,the threedimensional finite element method and the chosen higher-order models.By comparing with the exact three-dimensional elasticity solutions,it is found that the proposed model can yield more accurate natural frequencies corresponding to the higher-order displacement modes than the selected models.Moreover,the factors influencing reasonable prediction of the higher-order frequencies are investigated in detail,which can provide a reference for the accurate prediction of the higher-order frequencies.
基金Project supported by the National Natural Science Foundation of China (Grant No. 29671002)Key Project (Grant No. 39730160)+1 种基金National Climbing Project of Rare Earth Materials ChemistryApplication and Doctoral Project, Foundation of High Institut
文摘The discrepancies of the spectral behavior for the C-H stretching band between some long chain hydrocarbon compounds and steroids were investigated. At low temperature, the C-H stretching bands exhibit complex fine structure in steroids but remain simple in long chain hydrocarbon compounds. MM3 molecular mechanics calculation indicates that, for long chain hydrocarbon compounds, the C-H groups vibrate with large scale coupling. There exist a few bands where the C-H groups vibrate in synchronous and inphase mode. Thus the variations of dipole moment for these bands are enhanced and the intensities are obviously stronger than others and cover other band in the spectra. This is just the reason why the C-H stretching bands are simple even at low temperature environment. Nevertheless, for the steroids, the C-H stretching bands vibrate with local coupling mode. The synchronous enhancement effect does not occur, the differences of intensities for various modes are not as large as those in long chain hydrocarbon compounds. Hence the fine spectral structure could be observed in cryogenic FT-IR spectra. The structural basis for the above phenomenon is that the C-H groups in long chain hydrocarbon compound exist in the similar microenvironment, while the C-H group occurred in different microenvironment for steroids.
