Strong empirical and phenomenological indications exist for large sea-quark admixtures in the low-lying excited baryons.Investigating the low-lying excited baryon ∑^(*)(1/2^(-))is important for determining the nature...Strong empirical and phenomenological indications exist for large sea-quark admixtures in the low-lying excited baryons.Investigating the low-lying excited baryon ∑^(*)(1/2^(-))is important for determining the nature of the low-lying excited baryons.We review the experimental and theoretical progress on the studies of the ∑^(*)(1/2^(-)).展开更多
The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molec...The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.展开更多
Carbazole-core multi-branched chromophores 9-ethyl- 3, 6-bis ( 2- { 4- [ 5- (4-tert-butyl-phenyl) - [ 1, 3, 4 ] oxadiazol-2-yl ] - phenyl }-vinyl) -carbazole(3) and 9-ethyl-3-( 2- {4-[ 5-(4-tert-butyl- phenyl...Carbazole-core multi-branched chromophores 9-ethyl- 3, 6-bis ( 2- { 4- [ 5- (4-tert-butyl-phenyl) - [ 1, 3, 4 ] oxadiazol-2-yl ] - phenyl }-vinyl) -carbazole(3) and 9-ethyl-3-( 2- {4-[ 5-(4-tert-butyl- phenyl) -[ 1, 3, 4 ] oxadiazol-2-yl ] -phenyl }-vinyl ) -carbazole ( 2 ) are synthesized through Wittig reaction and characterized by nuclear magnetic resonance(NMR)and infrared(IR). The two- photon absorption properties of chromophores are investigated. These chromophores exhibit large two-photon absorption crosssections and strong blue two-photon excited fluorescence. The cooperative enhancement of two-photon absorption(TPA) in the multi-branched structures is observed. This enhancement is partly attributed to the electronic coupling between the branches. The electronic push-pull structures in the arm and their cooperative effects help the extended charge transfer for TPA.展开更多
The electronic structure of methanol/TiO2(ll0) interface has been studied by photoemis- sion spectroscopy. The pronounced resonance which appears at 5.5 eV above the Fermi level in two-photon photoemission spectrosc...The electronic structure of methanol/TiO2(ll0) interface has been studied by photoemis- sion spectroscopy. The pronounced resonance which appears at 5.5 eV above the Fermi level in two-photon photoemission spectroscopy (2PPE) is associated with the photocatalyzed dissociation of methanol at fivefold coordinated Ti sites (Ti5c) on TiO2 (110) surface [Chem- ical Science 1, 575 (2010)]. To check whether this resonance signal arises from initial or intermediate states, photon energy dependent 2PPE and comparison between one-photon photoemission spectroscopy and 2PPE have been performed. Both results consistently sug- gest the resonance signal originates from the initially unoccupied intermediate states, i.e., excited states. Dispersion measurements suggest the excited state is localized. Time-resolved studies show the lifetime of the excited state is 24 fs. This work presents comprehensive char- acterization of the excited states on methanol/TiO2(110) interface, and provides elaborate experimental data for the development of theoretical methods in reproducing the excited states on TiO2 surfaces and interfaces.展开更多
This paper considers the dynamical behavior of a Duffing-Mathieu type system with a cubic single-well potential during the principal parametric resonance. Both the cases of constant and time-dependent excitation ampli...This paper considers the dynamical behavior of a Duffing-Mathieu type system with a cubic single-well potential during the principal parametric resonance. Both the cases of constant and time-dependent excitation amplitude are used to observe the variation of the extent and the rate of the erosion in safe basins. It is evident that the appearance of fractal basin boundaries heralds the onset of the losing of structural integrity. The minimum value of control parameter to prevent the basin from erosion is given along with the excitation amplitude varying. The results show the time-dependence of excitation amplitude can be used to control the extent and the rate of the erosion and delay the first occurrence of heteroclinic tangency.展开更多
This paper investigates the excited states of Si3O molecule by using the single-excitation configuration interaction and density functional theory. It finds that the visible light absorption spectrum of Si3O molecule ...This paper investigates the excited states of Si3O molecule by using the single-excitation configuration interaction and density functional theory. It finds that the visible light absorption spectrum of Si3O molecule comprises the yellow and the purple light without external electric field, however all the visible light is included except the green light under the action of external electric field. Oxygen-deficient defects, which also can be found in Si3O molecule, have been used to explain the 1 from silicon-based materials but the microstructures of the materials are still uncertain Our results accord with the experimental values perfectly, this fact suggests that the structure of Si3O molecule is expected to be one of the main basic structures of the materials, so the oxygen-deficient defect structural model for Si3O molecule also has been provided to research the structures of materials.展开更多
Geometry and vibrational frequencies of the ground state of Si2O2 molecule are studied using density function theory (DFT) at the level of cc-pvtz and 6-311-k+G^**. It is found that the optimizing value by B31yp/...Geometry and vibrational frequencies of the ground state of Si2O2 molecule are studied using density function theory (DFT) at the level of cc-pvtz and 6-311-k+G^**. It is found that the optimizing value by B31yp/cc-pvtz is closer to the experimental data. The excited properties under different external electric fields are also investigated by the time-dependent-DFT method. Transitions from the ground state of Si2O2 molecule to the first singlet state under different external electric fields can take place more easily. The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.展开更多
In this paper the multiwalled carbon nanotubes (MWNTs) were synthesized by a chemical vapour deposition and the SEM graph shows that the sample has good construction. The micro-Raman spectrum shows the characteristi...In this paper the multiwalled carbon nanotubes (MWNTs) were synthesized by a chemical vapour deposition and the SEM graph shows that the sample has good construction. The micro-Raman spectrum shows the characteristic line of the MWNTs and an additional line produced by the defects on the outer surface of MWNTs. The photoluminescence (PL) spectra observed experimentally are variable under different excitation wavelengths and the strong excitation wavelength dependence of luminescence indicates a distribution of emitters which include electron π in excited states and the Van Hove singularities. The absorption spectra confirm the transition channels which are consistent with the PL emission.展开更多
Based on the obtained energy values of 1s^2np (n≤ 9) states for lithium-like systems from Z=11 to 20 (by the authors of this paper: Hu M H and Wang Z W 2004 Chin. Phys. 13 662), this paper determines the quantum...Based on the obtained energy values of 1s^2np (n≤ 9) states for lithium-like systems from Z=11 to 20 (by the authors of this paper: Hu M H and Wang Z W 2004 Chin. Phys. 13 662), this paper determines the quantum defects, as slowly varying function of energy, of this Rydberg series. Using them as input, it can predict the energies of any highly excited states below the ionization threshold for this series a^cording to the quantum defect theory. The regularities of variation for quantum defects of the series along this isoelectronic sequence are physically analysed and discussed. The screening parameters, which are equal to the effective screening charge of the core-electrons, are also obtained.展开更多
Nonlinear behaviors are investigated for a structure coupled with a nonlinear energy sink. The structure is linear and subject to a harmonic excitation, modeled as a forced single-degree-of-freedom oscillator. The non...Nonlinear behaviors are investigated for a structure coupled with a nonlinear energy sink. The structure is linear and subject to a harmonic excitation, modeled as a forced single-degree-of-freedom oscillator. The nonlinear energy sink is modeled as an oscillator consisting of a mass,a nonlinear spring, and a linear damper. Based on the numerical solutions, global bifurcation diagrams are presented to reveal the coexistence of periodic and chaotic motions for varying nonlinear energy sink mass and stiffness. Chaos is numerically identified via phase trajectories, power spectra,and Poincaré maps. Amplitude-frequency response curves are predicted by the method of harmonic balance for periodic steady-state responses. Their stabilities are analyzed.The Hopf bifurcation and the saddle-node bifurcation are determined. The investigation demonstrates that a nonlinear energy sink may create dynamic complexity.展开更多
According to the sensing structure of a practical silicon resonant pressure micro sensor whose preliminary sensing unit is a square silicon diaphragm and the final sensing unit is a silicon beam resonator, its operati...According to the sensing structure of a practical silicon resonant pressure micro sensor whose preliminary sensing unit is a square silicon diaphragm and the final sensing unit is a silicon beam resonator, its operating mechanism is analyzed. The thermal resistor acts as the excited unit, and the piezoresistive unit acts as the detector, for the above micro sensor. By using the amplitude and phase conditions, the self exciting closed loop system is investigated based on the operating mechanism for the abov...展开更多
The parametric excited vibration of a pipe under thermal loading may occur because the fluid is often transported heatedly. The effects of thermal loading on the pipe stability and local bifurcations have rarely been ...The parametric excited vibration of a pipe under thermal loading may occur because the fluid is often transported heatedly. The effects of thermal loading on the pipe stability and local bifurcations have rarely been studied. The stability and the local bifurcations of the lateral parametric resonance of the pipe induced by the pulsating fluid velocity and the thermal loading are studied. A mathematical model for a simply supported pipe is developed according to the Hamilton principle. Two partial differential equations describing the lateral and longitudinal vibration are obtained. The singularity theory is utilized to anMyze the stability and the bifurcation of the system solutions. The transition sets and the bifurcation diagrams are obtained both in the unfolding parameter space and the physical parameter space, which can reveal the relationship between the thermal field parameter and the dynamic behaviors of the pipe. The frequency response and the relationship between the critical thermal rate and the pulsating fluid velocity are obtained. The numerical results demonstrate the accuracy of the single-mode expansion of the solution and the stability and local bifurcation analyses. It also confirms the existence of the chaos. The presented work can provide valuable information for the design of the pipeline and the controllers to prevent the structural instability.展开更多
Two new bithiophene derivatives named as 5, 5-bis(p-N,N-dimethylaminostyryl)-2, 2 -bithiophene (BMSBT), and 5, 5-bis(p-N,N-diethylaminostyryl)-2, 2-bithiophene (BESBT) have been synthesized. Both compounds can emit s...Two new bithiophene derivatives named as 5, 5-bis(p-N,N-dimethylaminostyryl)-2, 2 -bithiophene (BMSBT), and 5, 5-bis(p-N,N-diethylaminostyryl)-2, 2-bithiophene (BESBT) have been synthesized. Both compounds can emit strong single-photon excited fluorescence (SPEF) and two-photon excited fluorescence (TPEF) with the emission peaks around ~560 nm and with the lifetime of ~1ns.展开更多
In this paper two different control strategies designed to alleviate the response of quasi partially integrable Hamiltonian systems subjected to stochastic excitation are proposed. First, by using the stochastic avera...In this paper two different control strategies designed to alleviate the response of quasi partially integrable Hamiltonian systems subjected to stochastic excitation are proposed. First, by using the stochastic averaging method for quasi partially integrable Hamiltonian systems, an n-DOF controlled quasi partially integrable Hamiltonian system with stochastic excitation is converted into a set of partially averaged It^↑o stochastic differential equations. Then, the dynamical programming equation associated with the partially averaged It^↑o equations is formulated by applying the stochastic dynamical programming principle. In the first control strategy, the optimal control law is derived from the dynamical programming equation and the control constraints without solving the dynamical programming equation. In the second control strategy, the optimal control law is obtained by solving the dynamical programming equation. Finally, both the responses of controlled and uncontrolled systems are predicted through solving the Fokker-Plank-Kolmogorov equation associated with fully averaged It^↑o equations. An example is worked out to illustrate the application and effectiveness of the two proposed control strategies.展开更多
The parametric dynamic stability of resonant beams with various parameters under periodic axial force is studied. It is assumed that the theoretical formulations are based on Euler-Bernoulli beam theory. The governing...The parametric dynamic stability of resonant beams with various parameters under periodic axial force is studied. It is assumed that the theoretical formulations are based on Euler-Bernoulli beam theory. The governing equations of motion are derived by using the Rayleigh-Ritz method and transformed into Mathieu equations, which are formed to determine the stability criterion and stability regions for parametricallyexcited linear resonant beams. An improved stability criterion is obtained using periodic Lyapunov functions. The boundary points on the stable regions are determined by using a small parameter perturbation method. Numerical results and discussion are presented to highlight the effects of beam length, axial force and damped coefficient on the stability criterion and stability regions. While some stability rules are easy to anticipate, we draw some conclusions: with the increase of damped coefficient, stable regions arise; with the decrease of beam length, the conditions of the damped coefficient arise instead. These conclusions can provide a reference for the robust design of parametricallyexcited linear resonant sensors.展开更多
Herein we have employed high-level multi-reference CASSCF and MS-CASPT2 electronic structure methods to systematically study the photochemical mechanism of intramolecularly hydrogen-bonded 2-(2'-hydroxyphenyl)-4-me...Herein we have employed high-level multi-reference CASSCF and MS-CASPT2 electronic structure methods to systematically study the photochemical mechanism of intramolecularly hydrogen-bonded 2-(2'-hydroxyphenyl)-4-methyloxazole. At the CASSCF level, we have optimized minima, conical intersections, minimum-energy reaction paths relevant to the excited-state intramolecular proton transfer (ESIPT), rotation, photoisomerization, and the excited-state deactivation pathways. The energies of all structures and paths are refined by the MS-CASPT2 method. On the basis of the present results, we found that the ESIPT process in a conformer with the OH... N hydrogen bond is essentially barrierless process; whereas, the ESIPT process is inhibited in the other conformer with the OH... O hydrogen bond. The central single-bond rotation of the S1 enol species is energetically unfavorable due to a large barrier. In addition, the excited-state deactivation of the S1 keto species, as a result of the ultrafast ESIPT, is very efficient because of the existence of two easily-approached keto S1/S0 conical intersections. In stark contrast to the S1 keto species, the decay of the S1 enol species is almostly blocked. The present theoretical study contributes valuable knowledge to the understanding of photochemistry of similar intramolecularly hydrogen-bonded molecular and biological systems.展开更多
A surface femtosecond two-photon photoemission (2PPE) spectrometer devoted to the study of ultrafast excited electron dynamics and photochemical kinetics on metal and metal oxide surfaces has been constructed. Low e...A surface femtosecond two-photon photoemission (2PPE) spectrometer devoted to the study of ultrafast excited electron dynamics and photochemical kinetics on metal and metal oxide surfaces has been constructed. Low energy photoelectrons are measured using a hemispherical electron energy analyzer with an imaging detector that allows us to detect the energy and the angular distributions of the photoelectrons simultaneously. A Mach-Zehnder interferom- eter was built for the time-resolved 2PPE (TR-2PPE) measurement to study ultrafast surface excited electron dynamics, which was demonstrated on the Cu(111) surface. A scheme for measuring time-dependent 2PPE (TD-2PPE) spectra has also been developed for studies of surface photochemistry. This technique has been applied to a preliminary study on the photochemical kinetics on ethanol/TiO2(110). We have also shown that the ultrafast dynamics of photoinduced surface excited resonances can be investigated in a reliable way by combining the TR-2PPE and TD-2PPE techniques.展开更多
Harmonic, subharmonic, superharmonic, simultaneous sub/super harmonic, and combination resonances of the additive type of self-excited two coupled-second order systems to multi-frequency excitation are investigated. T...Harmonic, subharmonic, superharmonic, simultaneous sub/super harmonic, and combination resonances of the additive type of self-excited two coupled-second order systems to multi-frequency excitation are investigated. The theoretical results are obtained by the multiple-scales method. The steady state amplitudes for each resonance are plotted, showing the influence of the different parameters. Analysis for each figure is given. Approximate solution corresponding to each type of resonance is determined. Stability analyses are carried out for each case.展开更多
An electron donor-π-bridge-electron acceptor(D-π-A) optical functional organic compound comprising a triphenylamine moiety as the electron donor and pyridine moiety as the electron acceptor was synthesized. The stru...An electron donor-π-bridge-electron acceptor(D-π-A) optical functional organic compound comprising a triphenylamine moiety as the electron donor and pyridine moiety as the electron acceptor was synthesized. The structure of the compound was solved by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21, with a = 9.753(5), b = 8.815(5), c = 25.554(5) ?, β = 96.315(5)°, V = 2184(2) ?~3, Z = 2, D_c = 1.136 g/m^3, F(000) = 792, Μr = 746.92, μ = 0.069 mm^(-1), the final R = 0.0658 and wR = 0.1730 for 6790 observed reflections with I > 2(I). Study of nonlinear optical properties shows that the compound exhibits excellent two-photon excited fluorescence with the two-photon absorption cross-section value of 116 GM. The structure-property relationship was researched in detail through X-ray crystallography and quantum chemical calculation. Result of living cell imaging experiment shows its potential in fluorescence microscopy bioimaging.展开更多
The present work is concerned with the behavior of the second bifurcation of a Hopf bifurcation system excited by white-noise. It is found that the intervention of noises induces a drift of the bifurcation point along...The present work is concerned with the behavior of the second bifurcation of a Hopf bifurcation system excited by white-noise. It is found that the intervention of noises induces a drift of the bifurcation point along with the subtantial change in bifurcation type.展开更多
基金partly supported by the National Key R&D Program of China(Grant No.2023YFA1606700)partly supported by the National Key R&D Program of China(Grant No.2024YFE0105200)+6 种基金supported by the Natural Science Foundation of Henan(Grant Nos.232300421140 and 222300420554)the National Natural Science Foundation of China(Grant Nos.12475086,12192263,12205075,12175239,12221005,12075288,and 12361141819)the Open Project of Guangxi Key Laboratory of Nuclear Physics and Nuclear Technology(Grant No.NLK2021-08)the Central Government Guidance Funds for Local Scientific and Technological Development,China(Grant No.ZY22096024)the National Key Research and Development Program of China(Grant No.2020YFA0406400)the Chinese Academy of Sciences(Grant No.YSBR-101)the Youth Innovation Promotion Association of CAS。
文摘Strong empirical and phenomenological indications exist for large sea-quark admixtures in the low-lying excited baryons.Investigating the low-lying excited baryon ∑^(*)(1/2^(-))is important for determining the nature of the low-lying excited baryons.We review the experimental and theoretical progress on the studies of the ∑^(*)(1/2^(-)).
基金Project supported by the Natural Science Foundation of Heilongjiang Province,China(Grant No.LH2022A026)the National Key Research and Development Program of China(Grant No.2022YFA1602500)+2 种基金the National Natural Science Foundation of China(Grant No.11934004)Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.145109309)Foundation of National Key Laboratory of Computational Physics(Grant No.6142A05QN22006)。
文摘The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.
基金The National Natural Science Foundation of China(No.60678042)the Natural Science Foundation of Jiangsu Province(No.BK2006553)the Pre-Research Project of the National Natural Science Foundation supported by Southeast University(No.9207041399)
文摘Carbazole-core multi-branched chromophores 9-ethyl- 3, 6-bis ( 2- { 4- [ 5- (4-tert-butyl-phenyl) - [ 1, 3, 4 ] oxadiazol-2-yl ] - phenyl }-vinyl) -carbazole(3) and 9-ethyl-3-( 2- {4-[ 5-(4-tert-butyl- phenyl) -[ 1, 3, 4 ] oxadiazol-2-yl ] -phenyl }-vinyl ) -carbazole ( 2 ) are synthesized through Wittig reaction and characterized by nuclear magnetic resonance(NMR)and infrared(IR). The two- photon absorption properties of chromophores are investigated. These chromophores exhibit large two-photon absorption crosssections and strong blue two-photon excited fluorescence. The cooperative enhancement of two-photon absorption(TPA) in the multi-branched structures is observed. This enhancement is partly attributed to the electronic coupling between the branches. The electronic push-pull structures in the arm and their cooperative effects help the extended charge transfer for TPA.
文摘The electronic structure of methanol/TiO2(ll0) interface has been studied by photoemis- sion spectroscopy. The pronounced resonance which appears at 5.5 eV above the Fermi level in two-photon photoemission spectroscopy (2PPE) is associated with the photocatalyzed dissociation of methanol at fivefold coordinated Ti sites (Ti5c) on TiO2 (110) surface [Chem- ical Science 1, 575 (2010)]. To check whether this resonance signal arises from initial or intermediate states, photon energy dependent 2PPE and comparison between one-photon photoemission spectroscopy and 2PPE have been performed. Both results consistently sug- gest the resonance signal originates from the initially unoccupied intermediate states, i.e., excited states. Dispersion measurements suggest the excited state is localized. Time-resolved studies show the lifetime of the excited state is 24 fs. This work presents comprehensive char- acterization of the excited states on methanol/TiO2(110) interface, and provides elaborate experimental data for the development of theoretical methods in reproducing the excited states on TiO2 surfaces and interfaces.
基金the National Science Foundation of ChinaPSF of China
文摘This paper considers the dynamical behavior of a Duffing-Mathieu type system with a cubic single-well potential during the principal parametric resonance. Both the cases of constant and time-dependent excitation amplitude are used to observe the variation of the extent and the rate of the erosion in safe basins. It is evident that the appearance of fractal basin boundaries heralds the onset of the losing of structural integrity. The minimum value of control parameter to prevent the basin from erosion is given along with the excitation amplitude varying. The results show the time-dependence of excitation amplitude can be used to control the extent and the rate of the erosion and delay the first occurrence of heteroclinic tangency.
基金Project supported by the Foundation for University Young Core Instructors of Henan Province,China(Grant No.2009GGJS-044)the Natural Science Foundation of the Education Bureau of Henan Province,China(Grant No.2010A140008)+1 种基金the Natural Science Foundation of Henan Province,China(Grant No.092300410249)the Natural Science Foundation of the Education Bureau of Henan Province,China(Grant No.2010A140008)
文摘This paper investigates the excited states of Si3O molecule by using the single-excitation configuration interaction and density functional theory. It finds that the visible light absorption spectrum of Si3O molecule comprises the yellow and the purple light without external electric field, however all the visible light is included except the green light under the action of external electric field. Oxygen-deficient defects, which also can be found in Si3O molecule, have been used to explain the 1 from silicon-based materials but the microstructures of the materials are still uncertain Our results accord with the experimental values perfectly, this fact suggests that the structure of Si3O molecule is expected to be one of the main basic structures of the materials, so the oxygen-deficient defect structural model for Si3O molecule also has been provided to research the structures of materials.
基金Project supported by the National Natural Science Foundation of China (Grant No. 10774039)the Natural Science Foundation of Henan Province,China (Grant No. 092300410249)+1 种基金the Natural Science Foundation of the Education Bureau of Henan Province,China (Grant No. 2010A140008)the Foundation for University Young Core Instructors of Henan Province,China (Grant No. 2009GGJS-044)
文摘Geometry and vibrational frequencies of the ground state of Si2O2 molecule are studied using density function theory (DFT) at the level of cc-pvtz and 6-311-k+G^**. It is found that the optimizing value by B31yp/cc-pvtz is closer to the experimental data. The excited properties under different external electric fields are also investigated by the time-dependent-DFT method. Transitions from the ground state of Si2O2 molecule to the first singlet state under different external electric fields can take place more easily. The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.
文摘In this paper the multiwalled carbon nanotubes (MWNTs) were synthesized by a chemical vapour deposition and the SEM graph shows that the sample has good construction. The micro-Raman spectrum shows the characteristic line of the MWNTs and an additional line produced by the defects on the outer surface of MWNTs. The photoluminescence (PL) spectra observed experimentally are variable under different excitation wavelengths and the strong excitation wavelength dependence of luminescence indicates a distribution of emitters which include electron π in excited states and the Van Hove singularities. The absorption spectra confirm the transition channels which are consistent with the PL emission.
基金Project supported by the National Natural Science Foundation of China(Grant Nos 10474029 and 10774063)
文摘Based on the obtained energy values of 1s^2np (n≤ 9) states for lithium-like systems from Z=11 to 20 (by the authors of this paper: Hu M H and Wang Z W 2004 Chin. Phys. 13 662), this paper determines the quantum defects, as slowly varying function of energy, of this Rydberg series. Using them as input, it can predict the energies of any highly excited states below the ionization threshold for this series a^cording to the quantum defect theory. The regularities of variation for quantum defects of the series along this isoelectronic sequence are physically analysed and discussed. The screening parameters, which are equal to the effective screening charge of the core-electrons, are also obtained.
基金supported by the National Natural Science Foundation of China (Grants 11402151 and 11572182)
文摘Nonlinear behaviors are investigated for a structure coupled with a nonlinear energy sink. The structure is linear and subject to a harmonic excitation, modeled as a forced single-degree-of-freedom oscillator. The nonlinear energy sink is modeled as an oscillator consisting of a mass,a nonlinear spring, and a linear damper. Based on the numerical solutions, global bifurcation diagrams are presented to reveal the coexistence of periodic and chaotic motions for varying nonlinear energy sink mass and stiffness. Chaos is numerically identified via phase trajectories, power spectra,and Poincaré maps. Amplitude-frequency response curves are predicted by the method of harmonic balance for periodic steady-state responses. Their stabilities are analyzed.The Hopf bifurcation and the saddle-node bifurcation are determined. The investigation demonstrates that a nonlinear energy sink may create dynamic complexity.
基金The Chinese Aeronautics Science Foundation(99I5 10 0 6)Foundation for University Key Teacherby the Ministry of Education
文摘According to the sensing structure of a practical silicon resonant pressure micro sensor whose preliminary sensing unit is a square silicon diaphragm and the final sensing unit is a silicon beam resonator, its operating mechanism is analyzed. The thermal resistor acts as the excited unit, and the piezoresistive unit acts as the detector, for the above micro sensor. By using the amplitude and phase conditions, the self exciting closed loop system is investigated based on the operating mechanism for the abov...
基金Project supported by the National Natural Science Foundation of Shandong Province(No.ZR2013AL017)the National Natural Science Foundation of China(No.11272357)the Fundamental Research Funds for the Central Universities of China(No.11CX04049A)
文摘The parametric excited vibration of a pipe under thermal loading may occur because the fluid is often transported heatedly. The effects of thermal loading on the pipe stability and local bifurcations have rarely been studied. The stability and the local bifurcations of the lateral parametric resonance of the pipe induced by the pulsating fluid velocity and the thermal loading are studied. A mathematical model for a simply supported pipe is developed according to the Hamilton principle. Two partial differential equations describing the lateral and longitudinal vibration are obtained. The singularity theory is utilized to anMyze the stability and the bifurcation of the system solutions. The transition sets and the bifurcation diagrams are obtained both in the unfolding parameter space and the physical parameter space, which can reveal the relationship between the thermal field parameter and the dynamic behaviors of the pipe. The frequency response and the relationship between the critical thermal rate and the pulsating fluid velocity are obtained. The numerical results demonstrate the accuracy of the single-mode expansion of the solution and the stability and local bifurcation analyses. It also confirms the existence of the chaos. The presented work can provide valuable information for the design of the pipeline and the controllers to prevent the structural instability.
基金This work is supported by the National Natural Science Foundation of China(No.20172034)grant for State Key Program of China.
文摘Two new bithiophene derivatives named as 5, 5-bis(p-N,N-dimethylaminostyryl)-2, 2 -bithiophene (BMSBT), and 5, 5-bis(p-N,N-diethylaminostyryl)-2, 2-bithiophene (BESBT) have been synthesized. Both compounds can emit strong single-photon excited fluorescence (SPEF) and two-photon excited fluorescence (TPEF) with the emission peaks around ~560 nm and with the lifetime of ~1ns.
基金The project supported by the National Natural Science Foundation of China (10332030)Research Fund for Doctoral Program of Higher Education of China(20060335125)
文摘In this paper two different control strategies designed to alleviate the response of quasi partially integrable Hamiltonian systems subjected to stochastic excitation are proposed. First, by using the stochastic averaging method for quasi partially integrable Hamiltonian systems, an n-DOF controlled quasi partially integrable Hamiltonian system with stochastic excitation is converted into a set of partially averaged It^↑o stochastic differential equations. Then, the dynamical programming equation associated with the partially averaged It^↑o equations is formulated by applying the stochastic dynamical programming principle. In the first control strategy, the optimal control law is derived from the dynamical programming equation and the control constraints without solving the dynamical programming equation. In the second control strategy, the optimal control law is obtained by solving the dynamical programming equation. Finally, both the responses of controlled and uncontrolled systems are predicted through solving the Fokker-Plank-Kolmogorov equation associated with fully averaged It^↑o equations. An example is worked out to illustrate the application and effectiveness of the two proposed control strategies.
基金Project supported by the National Natural Science Foundation of China (Grant No. 60927005)the 2012 Innovation Foundation of BUAA for PhD Graduatesthe Fundamental Research Funds for the Central Universities,China (Grant No. YWF-10-01-A17)
文摘The parametric dynamic stability of resonant beams with various parameters under periodic axial force is studied. It is assumed that the theoretical formulations are based on Euler-Bernoulli beam theory. The governing equations of motion are derived by using the Rayleigh-Ritz method and transformed into Mathieu equations, which are formed to determine the stability criterion and stability regions for parametricallyexcited linear resonant beams. An improved stability criterion is obtained using periodic Lyapunov functions. The boundary points on the stable regions are determined by using a small parameter perturbation method. Numerical results and discussion are presented to highlight the effects of beam length, axial force and damped coefficient on the stability criterion and stability regions. While some stability rules are easy to anticipate, we draw some conclusions: with the increase of damped coefficient, stable regions arise; with the decrease of beam length, the conditions of the damped coefficient arise instead. These conclusions can provide a reference for the robust design of parametricallyexcited linear resonant sensors.
文摘Herein we have employed high-level multi-reference CASSCF and MS-CASPT2 electronic structure methods to systematically study the photochemical mechanism of intramolecularly hydrogen-bonded 2-(2'-hydroxyphenyl)-4-methyloxazole. At the CASSCF level, we have optimized minima, conical intersections, minimum-energy reaction paths relevant to the excited-state intramolecular proton transfer (ESIPT), rotation, photoisomerization, and the excited-state deactivation pathways. The energies of all structures and paths are refined by the MS-CASPT2 method. On the basis of the present results, we found that the ESIPT process in a conformer with the OH... N hydrogen bond is essentially barrierless process; whereas, the ESIPT process is inhibited in the other conformer with the OH... O hydrogen bond. The central single-bond rotation of the S1 enol species is energetically unfavorable due to a large barrier. In addition, the excited-state deactivation of the S1 keto species, as a result of the ultrafast ESIPT, is very efficient because of the existence of two easily-approached keto S1/S0 conical intersections. In stark contrast to the S1 keto species, the decay of the S1 enol species is almostly blocked. The present theoretical study contributes valuable knowledge to the understanding of photochemistry of similar intramolecularly hydrogen-bonded molecular and biological systems.
文摘A surface femtosecond two-photon photoemission (2PPE) spectrometer devoted to the study of ultrafast excited electron dynamics and photochemical kinetics on metal and metal oxide surfaces has been constructed. Low energy photoelectrons are measured using a hemispherical electron energy analyzer with an imaging detector that allows us to detect the energy and the angular distributions of the photoelectrons simultaneously. A Mach-Zehnder interferom- eter was built for the time-resolved 2PPE (TR-2PPE) measurement to study ultrafast surface excited electron dynamics, which was demonstrated on the Cu(111) surface. A scheme for measuring time-dependent 2PPE (TD-2PPE) spectra has also been developed for studies of surface photochemistry. This technique has been applied to a preliminary study on the photochemical kinetics on ethanol/TiO2(110). We have also shown that the ultrafast dynamics of photoinduced surface excited resonances can be investigated in a reliable way by combining the TR-2PPE and TD-2PPE techniques.
文摘Harmonic, subharmonic, superharmonic, simultaneous sub/super harmonic, and combination resonances of the additive type of self-excited two coupled-second order systems to multi-frequency excitation are investigated. The theoretical results are obtained by the multiple-scales method. The steady state amplitudes for each resonance are plotted, showing the influence of the different parameters. Analysis for each figure is given. Approximate solution corresponding to each type of resonance is determined. Stability analyses are carried out for each case.
基金supported by the Major Project of Natural Science Research in Universities of Anhui Province(KJ2018ZD037,KJ2018A0333)Key Project of Youth Talents in Universities of Anhui Province(gxyqZD2017067)+5 种基金National Natural Science Foundation of China(21401024)Natural Science Foundation of Anhui Province(1508085MB21)National Students Research Training Program(201810371028)Research Innovation Team of Fuyang Normal University(kytd201710)Horizontal Cooperation Project of Fuyang Municipal Government and Fuyang Normal University(XDHX2016011,XDHX2016004)Anhui University Research Innovation Platform Team Project(201549)
文摘An electron donor-π-bridge-electron acceptor(D-π-A) optical functional organic compound comprising a triphenylamine moiety as the electron donor and pyridine moiety as the electron acceptor was synthesized. The structure of the compound was solved by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21, with a = 9.753(5), b = 8.815(5), c = 25.554(5) ?, β = 96.315(5)°, V = 2184(2) ?~3, Z = 2, D_c = 1.136 g/m^3, F(000) = 792, Μr = 746.92, μ = 0.069 mm^(-1), the final R = 0.0658 and wR = 0.1730 for 6790 observed reflections with I > 2(I). Study of nonlinear optical properties shows that the compound exhibits excellent two-photon excited fluorescence with the two-photon absorption cross-section value of 116 GM. The structure-property relationship was researched in detail through X-ray crystallography and quantum chemical calculation. Result of living cell imaging experiment shows its potential in fluorescence microscopy bioimaging.
文摘The present work is concerned with the behavior of the second bifurcation of a Hopf bifurcation system excited by white-noise. It is found that the intervention of noises induces a drift of the bifurcation point along with the subtantial change in bifurcation type.