The Raman and infrared spectra of all-trans-astaxanthin (AXT) in dimethyl sulfoxide (DMSO) solvent were investigated experimentally and theoretically. Density functional cal-culations of the Raman spectra predict ...The Raman and infrared spectra of all-trans-astaxanthin (AXT) in dimethyl sulfoxide (DMSO) solvent were investigated experimentally and theoretically. Density functional cal-culations of the Raman spectra predict the splitting of the υ1 band into υ1-1 and υ1-2 compo-nents. The absence of splitting in Raman experimental spectra is ascribed to the competition between the two symmetric C=C stretching vibrations of the backbone chain. The υ1 band is very sensitive to the excitation wavelength: resonance excitation stimulates the higher-frequency υ1-2 mode, and off-resonance excitation corresponds to the lower-frequency υ1-1 mode. Analyses of the intramolecular hydrogen bonding between C=O and O-H in the AXT/DMSO system reveal that the C4=O1...H1-O3 and C4'=O2...H2-O4 bonds are strengthened and weakened, respectively, in the electronically excited state compared with those in the ground state. This result reveals significant variations of the AXT molecular structure in different electronic states.展开更多
Resonance Raman spectra of aggregated meso-tetra(4-pyridinium)porphyrin diacid (H8TPyP^6+) were studied with excitation near the exciton absorption bands of 470 nm. The UV-Vis absorption and resonance light scatt...Resonance Raman spectra of aggregated meso-tetra(4-pyridinium)porphyrin diacid (H8TPyP^6+) were studied with excitation near the exciton absorption bands of 470 nm. The UV-Vis absorption and resonance light scattering spectra of HsTPyP^6+ monomers and aggregates were also measured. The observed Raman bands of monomeric and aggregated HsTPyP^6+ were assigned on the basis of the observed deuteration shifts and by comparing with the Raman spectra of analogous porphyrin diacids. Aggregation causes moderate downshifts (2-6 cm^-1) for high-frequency modes involving the in-plane CC/CN stretches of the porphyrin core and a dramatic upshift (12 cm^-1) for the out-of-plane saddling mode of the porphyrin ring. The structural changes induced by aggregation and the possible hydrogen bonding interaction between the HsTPyP^6+ molecules in the aggregate are discussed based on the spectral observations.展开更多
The modal characteristics of the transverse vibration of an axially moving roller chain coupled with lumped mass were analyzed.The chain system was modeled by using the multi-body dynamics theory and the governing equ...The modal characteristics of the transverse vibration of an axially moving roller chain coupled with lumped mass were analyzed.The chain system was modeled by using the multi-body dynamics theory and the governing equations were derived by means of Lagrange's equations.The effects of the parameters,such as the axially moving velocity of the chain,the tension force,the weight of lumped mass and its time-variable assign position in chain span,on the modal characteristics of transverse vibration for roller chain were investigated.The numerical examples were given.It is found that the natural frequencies and the corresponding mode shapes of the transverse vibration for roller chain coupled with lumped mass change significantly when the variations of above parameters are considered.With the movement of the chain strand,the natural frequencies present a fluctuating phenomenon,which is different from the uniform chain.The higher the order of mode is,the greater the fluctuating magnitude and frequency are.展开更多
A constant-potential system driven by multiplicative dichotomous noise and subject to an input oscillatory signal is investigated. Two phenomena of stochastic resonance are observed. One is the response as a function ...A constant-potential system driven by multiplicative dichotomous noise and subject to an input oscillatory signal is investigated. Two phenomena of stochastic resonance are observed. One is the response as a function of the noise's parameters; the other is that as a function of the input signal frequency. A phenomenon of multi-resonance (there are three or four peaks) is found for the response as a function of a parameter of the noise. A phenomenon of reverse-resonance is found, for which the response of the system to the signal can be weakened by the presence of the noise (there is an optimal minimum). These results help in studies of the systems with multiplicative dichotomous noise, such as the semiconductor, the proteins motor, the chemical reaction, and so on.展开更多
The vibration states of transition molecule S<SUB>2</SUB>O, including both bending and stretching vibrations, are studied in the framework of dynamical symmetry groups . We get all the vibration spectra of...The vibration states of transition molecule S<SUB>2</SUB>O, including both bending and stretching vibrations, are studied in the framework of dynamical symmetry groups . We get all the vibration spectra of S<SUB>2</SUB>O by fitting 22 spectra data with 10 parameters. The fitting rms of the Hamiltonian is 2.12 cm<SUP>-1</SUP>. With the parameters and Lie algebraic theory, we give the analytical expression of the potential energy surface, which helps us to calculate the dissociation energy and force constants of S<SUB>2</SUB>O in the electronic ground state.展开更多
A disc-type magneto-rheological fluid damper operating in shear mode is proposed in this paper,which is based on the special characteristics of the magneto-rheological (MR) fluid with rapid, reversible and dramatic ch...A disc-type magneto-rheological fluid damper operating in shear mode is proposed in this paper,which is based on the special characteristics of the magneto-rheological (MR) fluid with rapid, reversible and dramatic change in its rheological properties by the application of an external magnetic field. The magneticfield of the disc-type MR fluid damper is analysed by the finite element method ; the controllability of the disctype MR fluid damper on the dynamic behaviour of a rotor system ; and the effectiveness of the disc-type MR fluid damper in controlling the vibration of a rotor system, are studied in a flexible rotor system with an over-hung disc. It is shown that the magnetic flux density of the disc-type MR fluid damper in the working areas can significantly change with the applied current in the coil ; and that the dynamic behavior of the disc-type MR fluid damper can be varied by the application of an external magnetic field produced by a low voltage electromagnetic coil. The disc-type MR fluid damper can significantly change the dynamic characteristics of a rotor system, provided that the location of the disk-type MR fluid damper is carefully chosen. The disc-type MR fluid damper is a new actuator with good dynamic characteristics for rotating machinery.展开更多
The scaling behaviors of the nucleon resonance transition amplitudes from perturbative QCD (PQCD) are utilized to parametrize the amplitudes of the first negative-parity nucleon resonance . Our analysis indicates that...The scaling behaviors of the nucleon resonance transition amplitudes from perturbative QCD (PQCD) are utilized to parametrize the amplitudes of the first negative-parity nucleon resonance . Our analysis indicates that the constraints of the transition amplitude for the resonance at the limit by QCD sum rule calculations are not applicable at a moderate range of compared with the present available data if the contribution of is dominant in the limit.展开更多
The Q^2 dependencies of Roper resonance (N~* (1440)) helicity amplitudes have been discussed based on twoassumptions:(i) the Roper resonance is an excitation of one of the three quarks,and (ii) the quarks are surround...The Q^2 dependencies of Roper resonance (N~* (1440)) helicity amplitudes have been discussed based on twoassumptions:(i) the Roper resonance is an excitation of one of the three quarks,and (ii) the quarks are surrounded bya pion-meson cloud.Our study shows that the mixing of the ground state in the Roper wavefunction caused by the pionmeson cloud together with the pion meson cloud itself is crucial for the predictions of the photoproduction amplitudesof the Roper resonance.It is found that our model can give a good description for the helicity amplitudes of the Roperresonance comparing with the experimental measurement.展开更多
A scheme is presented for realizing an N-qubit quantum phase gate with trapped ions. Taking advantage of the virtual excitation of the vibrational mode, the qubit system undergoes a full-cycle of Rabi oscillation in t...A scheme is presented for realizing an N-qubit quantum phase gate with trapped ions. Taking advantage of the virtual excitation of the vibrational mode, the qubit system undergoes a full-cycle of Rabi oscillation in the selective symmetric Dicke subspace. The scheme only involves a single step and the operation is insensitive to thermal motion. Moreover, the scheme does not require individual addresing of the ions.展开更多
We present quantum mechanical vibrational computations beyond the harmonic approximation from effective second order perturbative and variation perturbation treatments defined as static approaches, as well as vibratio...We present quantum mechanical vibrational computations beyond the harmonic approximation from effective second order perturbative and variation perturbation treatments defined as static approaches, as well as vibrational analysis from density functional theory molecular dynamics trajectories at 300 and 600 K. The four schemes are compared in terms of prediction of fundamental transitions, and simulation of the corresponding medium infrared spectrum at the same level of theory using the B3LYP/6-31+G(d,p) description of the electronic structure. We summarize conclusions about advantages and drawbacks of these two approaches and report the main results obtained for semi-rigid and flexible molecules.展开更多
Coherent vibrational dynamics can be observed in atomically precise gold nanoclusters using femtosecond time-resolved pump-probe spectroscopy.It can not only reveal the coupling between electrons and vibrations,but al...Coherent vibrational dynamics can be observed in atomically precise gold nanoclusters using femtosecond time-resolved pump-probe spectroscopy.It can not only reveal the coupling between electrons and vibrations,but also reflect the mechanical and electronic properties of metal nanoclusters,which holds potential applications in biological sensing and mass detection.Here,we investigated the coherent vibrational dynamics of[Au_(25)(SR)_(18)]^(-)nanoclusters by ultrafast spectroscopy and revealed the origins of thesecoherent vibrations by analyzing their frequency,phase and probe wavelength distributions.Strong coherent oscillations with frequency of 40 cm^(-1) and 80 cm^(-1) can be reproduced in the excited state dynamics of[Au_(25)(SR)_(18)]^(-),which should originate from acoustic vibrations of the Au13 metal core.Phase analysis on the oscillations indicates that the 80 cm^(-1) mode should arise from the frequency modulation of the electronic states while the 40 cm^(-1) mode should originate from the amplitude modulation of the dynamic spectrum.Moreover,it is found that the vibration frequencies of[Au_(25)(SR)_(18)]^(-)obtained in pump-probe measurements are independent of the surface ligands so that they are intrinsic properties of the metal core.These results are of great value to understand the electron-vibration coupling of metal nanoclusters.展开更多
U(3)-O(4) transitional description of diatomic molecules in the U(4) vibron model is studied by usingthe algebraic Bethe ansatz, in which the O(4) limit is a special case of the theory. Vibrational band-heads of somet...U(3)-O(4) transitional description of diatomic molecules in the U(4) vibron model is studied by usingthe algebraic Bethe ansatz, in which the O(4) limit is a special case of the theory. Vibrational band-heads of sometypical diatomic molecules are fitted by both transitional theory and the O(4) limit within the same framework. Theresults show that there are evident deviations from the O(4) limit in description of vibrational spectra of some diatomicmolecules.展开更多
文摘The Raman and infrared spectra of all-trans-astaxanthin (AXT) in dimethyl sulfoxide (DMSO) solvent were investigated experimentally and theoretically. Density functional cal-culations of the Raman spectra predict the splitting of the υ1 band into υ1-1 and υ1-2 compo-nents. The absence of splitting in Raman experimental spectra is ascribed to the competition between the two symmetric C=C stretching vibrations of the backbone chain. The υ1 band is very sensitive to the excitation wavelength: resonance excitation stimulates the higher-frequency υ1-2 mode, and off-resonance excitation corresponds to the lower-frequency υ1-1 mode. Analyses of the intramolecular hydrogen bonding between C=O and O-H in the AXT/DMSO system reveal that the C4=O1...H1-O3 and C4'=O2...H2-O4 bonds are strengthened and weakened, respectively, in the electronically excited state compared with those in the ground state. This result reveals significant variations of the AXT molecular structure in different electronic states.
基金ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China (No.20473078) and the Specialized Research Fund for the Doctoral Program of Higher Education (No.200803580022).
文摘Resonance Raman spectra of aggregated meso-tetra(4-pyridinium)porphyrin diacid (H8TPyP^6+) were studied with excitation near the exciton absorption bands of 470 nm. The UV-Vis absorption and resonance light scattering spectra of HsTPyP^6+ monomers and aggregates were also measured. The observed Raman bands of monomeric and aggregated HsTPyP^6+ were assigned on the basis of the observed deuteration shifts and by comparing with the Raman spectra of analogous porphyrin diacids. Aggregation causes moderate downshifts (2-6 cm^-1) for high-frequency modes involving the in-plane CC/CN stretches of the porphyrin core and a dramatic upshift (12 cm^-1) for the out-of-plane saddling mode of the porphyrin ring. The structural changes induced by aggregation and the possible hydrogen bonding interaction between the HsTPyP^6+ molecules in the aggregate are discussed based on the spectral observations.
基金Project(50605060) supported by the National Natural Science Foundation of ChinaProject(20050056058) supported by the Research Fund for the Doctoral Program of Higher Education of ChinaProject(06YFJMJC03300) supported by the National Science Foundation of Tianjin,China
文摘The modal characteristics of the transverse vibration of an axially moving roller chain coupled with lumped mass were analyzed.The chain system was modeled by using the multi-body dynamics theory and the governing equations were derived by means of Lagrange's equations.The effects of the parameters,such as the axially moving velocity of the chain,the tension force,the weight of lumped mass and its time-variable assign position in chain span,on the modal characteristics of transverse vibration for roller chain were investigated.The numerical examples were given.It is found that the natural frequencies and the corresponding mode shapes of the transverse vibration for roller chain coupled with lumped mass change significantly when the variations of above parameters are considered.With the movement of the chain strand,the natural frequencies present a fluctuating phenomenon,which is different from the uniform chain.The higher the order of mode is,the greater the fluctuating magnitude and frequency are.
基金The project supported by National Natural Science Foundation of China under Grant No. 10375009, SRF for R0CS, SEM, and K.C. Wong Magna Fund in Ningbo University
文摘A constant-potential system driven by multiplicative dichotomous noise and subject to an input oscillatory signal is investigated. Two phenomena of stochastic resonance are observed. One is the response as a function of the noise's parameters; the other is that as a function of the input signal frequency. A phenomenon of multi-resonance (there are three or four peaks) is found for the response as a function of a parameter of the noise. A phenomenon of reverse-resonance is found, for which the response of the system to the signal can be weakened by the presence of the noise (there is an optimal minimum). These results help in studies of the systems with multiplicative dichotomous noise, such as the semiconductor, the proteins motor, the chemical reaction, and so on.
基金The project supported by National Natural Science Foundation of China and partly by the Science Foundation of Shandong Province of China
文摘The vibration states of transition molecule S<SUB>2</SUB>O, including both bending and stretching vibrations, are studied in the framework of dynamical symmetry groups . We get all the vibration spectra of S<SUB>2</SUB>O by fitting 22 spectra data with 10 parameters. The fitting rms of the Hamiltonian is 2.12 cm<SUP>-1</SUP>. With the parameters and Lie algebraic theory, we give the analytical expression of the potential energy surface, which helps us to calculate the dissociation energy and force constants of S<SUB>2</SUB>O in the electronic ground state.
文摘A disc-type magneto-rheological fluid damper operating in shear mode is proposed in this paper,which is based on the special characteristics of the magneto-rheological (MR) fluid with rapid, reversible and dramatic change in its rheological properties by the application of an external magnetic field. The magneticfield of the disc-type MR fluid damper is analysed by the finite element method ; the controllability of the disctype MR fluid damper on the dynamic behaviour of a rotor system ; and the effectiveness of the disc-type MR fluid damper in controlling the vibration of a rotor system, are studied in a flexible rotor system with an over-hung disc. It is shown that the magnetic flux density of the disc-type MR fluid damper in the working areas can significantly change with the applied current in the coil ; and that the dynamic behavior of the disc-type MR fluid damper can be varied by the application of an external magnetic field produced by a low voltage electromagnetic coil. The disc-type MR fluid damper can significantly change the dynamic characteristics of a rotor system, provided that the location of the disk-type MR fluid damper is carefully chosen. The disc-type MR fluid damper is a new actuator with good dynamic characteristics for rotating machinery.
文摘The scaling behaviors of the nucleon resonance transition amplitudes from perturbative QCD (PQCD) are utilized to parametrize the amplitudes of the first negative-parity nucleon resonance . Our analysis indicates that the constraints of the transition amplitude for the resonance at the limit by QCD sum rule calculations are not applicable at a moderate range of compared with the present available data if the contribution of is dominant in the limit.
基金National Natural Science Foundation of China under Grant No.10475088the CAS Knowledge Innovation Project under Grant No.KC2-SW-N02
文摘The Q^2 dependencies of Roper resonance (N~* (1440)) helicity amplitudes have been discussed based on twoassumptions:(i) the Roper resonance is an excitation of one of the three quarks,and (ii) the quarks are surrounded bya pion-meson cloud.Our study shows that the mixing of the ground state in the Roper wavefunction caused by the pionmeson cloud together with the pion meson cloud itself is crucial for the predictions of the photoproduction amplitudesof the Roper resonance.It is found that our model can give a good description for the helicity amplitudes of the Roperresonance comparing with the experimental measurement.
基金Supported by the National Natural Science Foundation of China under Grant No.10974028the Doctoral Foundation of the Ministry of Education of China under Grant No.20093514110009the Natural Science Foundation of Fujian Province under Grant No.2009J06002
文摘A scheme is presented for realizing an N-qubit quantum phase gate with trapped ions. Taking advantage of the virtual excitation of the vibrational mode, the qubit system undergoes a full-cycle of Rabi oscillation in the selective symmetric Dicke subspace. The scheme only involves a single step and the operation is insensitive to thermal motion. Moreover, the scheme does not require individual addresing of the ions.
文摘We present quantum mechanical vibrational computations beyond the harmonic approximation from effective second order perturbative and variation perturbation treatments defined as static approaches, as well as vibrational analysis from density functional theory molecular dynamics trajectories at 300 and 600 K. The four schemes are compared in terms of prediction of fundamental transitions, and simulation of the corresponding medium infrared spectrum at the same level of theory using the B3LYP/6-31+G(d,p) description of the electronic structure. We summarize conclusions about advantages and drawbacks of these two approaches and report the main results obtained for semi-rigid and flexible molecules.
基金supported by the startup funding from University of Science and Technology of China(KY2340000137)the startup funding from Chinese Academy of Sciences
文摘Coherent vibrational dynamics can be observed in atomically precise gold nanoclusters using femtosecond time-resolved pump-probe spectroscopy.It can not only reveal the coupling between electrons and vibrations,but also reflect the mechanical and electronic properties of metal nanoclusters,which holds potential applications in biological sensing and mass detection.Here,we investigated the coherent vibrational dynamics of[Au_(25)(SR)_(18)]^(-)nanoclusters by ultrafast spectroscopy and revealed the origins of thesecoherent vibrations by analyzing their frequency,phase and probe wavelength distributions.Strong coherent oscillations with frequency of 40 cm^(-1) and 80 cm^(-1) can be reproduced in the excited state dynamics of[Au_(25)(SR)_(18)]^(-),which should originate from acoustic vibrations of the Au13 metal core.Phase analysis on the oscillations indicates that the 80 cm^(-1) mode should arise from the frequency modulation of the electronic states while the 40 cm^(-1) mode should originate from the amplitude modulation of the dynamic spectrum.Moreover,it is found that the vibration frequencies of[Au_(25)(SR)_(18)]^(-)obtained in pump-probe measurements are independent of the surface ligands so that they are intrinsic properties of the metal core.These results are of great value to understand the electron-vibration coupling of metal nanoclusters.
基金The project supported by National Natural Science foundation of China under Grant No.10175031the Natural Science Foundation of Liaoning Province of China under Grant No.2001101053
文摘U(3)-O(4) transitional description of diatomic molecules in the U(4) vibron model is studied by usingthe algebraic Bethe ansatz, in which the O(4) limit is a special case of the theory. Vibrational band-heads of sometypical diatomic molecules are fitted by both transitional theory and the O(4) limit within the same framework. Theresults show that there are evident deviations from the O(4) limit in description of vibrational spectra of some diatomicmolecules.