A bimorph piezoelectric beam with periodically variable cross-sections is used for the vibration energy harvesting. The effects of two geometrical parameters on the first band gap of this periodic beam are investigate...A bimorph piezoelectric beam with periodically variable cross-sections is used for the vibration energy harvesting. The effects of two geometrical parameters on the first band gap of this periodic beam are investigated by the generalized differential quadrature rule (GDQR) method. The GDQR method is also used to calculate the forced vibration response of the beam and voltage of each piezoelectric layer when the beam is subject to a sinusoidal base excitation. Results obtained from the analytical method are compared with those obtained from the finite element simulation with ANSYS, and good agreement is found. The voltage output of this periodic beam over its first band gap is calculated and compared with the voltage output of the uniform piezoelectric beam. It is concluded that this periodic beam has three advantages over the uniform piezoelectric beam, i.e., generating more voltage outputs over a wide frequency range, absorbing vibration, and being less weight.展开更多
The energy loss spectrum of the molecular nitrogen in the energy region 12 -14 eV has been measured at 300 eV impact energy and in the range of scattering angles of 2.75℃- 10.25℃. The differential cross sections and...The energy loss spectrum of the molecular nitrogen in the energy region 12 -14 eV has been measured at 300 eV impact energy and in the range of scattering angles of 2.75℃- 10.25℃. The differential cross sections and generalized oscillator strengths have been determined for individual vibronic excitation band (v’ = 1 - 4) of b1Пu from the ground state of N2 and the absolute optical oscillator strengths have also been obtained by taking the limit of K→ 0. Results have been compared with experimental data and theoretical calculations previously published.展开更多
Quasi-classical trajectory (QCT) studies on the stereodynamics of H + BrO → O+ HBr reaction have been performed on the X1A' state of ab initio potential energy surface by Peterson [Peterson K A 2000 J. Chem. Phy...Quasi-classical trajectory (QCT) studies on the stereodynamics of H + BrO → O+ HBr reaction have been performed on the X1A' state of ab initio potential energy surface by Peterson [Peterson K A 2000 J. Chem. Phys. 113 4598] in a collision energy range from 0 kcal/mol to 6 kcal/mol. Two of the polarization-dependent generalized differential cross sections (PDDCSs), (2π/σ)(dσ 00/d ω) (PDDCSoo) and (2π/σ)(dσ20/doh) (PDDCS20) are considered. The rotational polarizations of these products show sensitive behaviors to the calculated collision energy range. Furthermore, in order to gain more knowledge about vector correlations, the product angular distribution, P(θr), and the dihedral angle, P (Фr), are calculated, and the results indicate that both the rotational alignment and orientation of the product are enhanced as collision energy increases.展开更多
In this paper, the stereodynamics of Li + DF → Li F + D reaction is investigated by the quasi-classical trajectory(QCT)method on the ^2A' potential energy surface(PES) at a relatively low collision energy of 8...In this paper, the stereodynamics of Li + DF → Li F + D reaction is investigated by the quasi-classical trajectory(QCT)method on the ^2A' potential energy surface(PES) at a relatively low collision energy of 8.76 kcal/mol. The scalar properties of the title reaction such as reaction probability and cross section are studied with vibrational quantum number of v = 1–6. The product angular distributions P(θr) and P(φr) are presented in the same vibrational level range. Moreover, two polarization-dependent generalized differential cross sections(PDDCSs), i.e., the PDDCS00 and PDDCS22+are calculated as well. These stereodynamical results demonstrate sensitive behaviors to the vibrational quantum numbers.展开更多
The reagent rotational excitation effect on the stereodynamics of H+LiF→HF+Li is calcu-lated by means of the quasi-classical trajectory method on the Aguado-Paniagua2-potential energy surface (AP2-PES) constructe...The reagent rotational excitation effect on the stereodynamics of H+LiF→HF+Li is calcu-lated by means of the quasi-classical trajectory method on the Aguado-Paniagua2-potential energy surface (AP2-PES) constructed by Aguado et al. [J. Chem. Phys. 106, 1013 (1997)]. The angular distributions of vector correlations between products and reactants, P(?r) and P(Φr) are presented. Meanwhile, the four polarization-dependent generalized differential cross sections are computed. The results indicate that the reagent rotational quantum num-bers have impact on the vector properties of the title reaction. In addition, the reaction probability has been calculated as well.展开更多
Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector corr...Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D- + H2 and H- + D2 is studied at a collision energy of 35.7 kcal/mol. Four generalized polarization-dependent differential cross sections (2π/σ) (dσ00/dωt), (2π/σ) (dσ20/dσ20), (27π/σ) (dσ22+/dwt), and (2π/σ)(dπ/σ) are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P(θr), P(~r) and P(Oφ) of the title reactions are also analysed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j^1 sensitively depend on reagent molecule vibration.展开更多
This paper studies the influence of the reagent vibration on the reaction O(1D)+HF→HO+F by using a quasiclassical trajectory method on the new ab initio 1A' ground singlet potential energy surface (Gomez-Carras...This paper studies the influence of the reagent vibration on the reaction O(1D)+HF→HO+F by using a quasiclassical trajectory method on the new ab initio 1A' ground singlet potential energy surface (Gomez-Carrasco et al 2007 Chem. Phys. Lett. 435 188 193). The product angular distributions which reflect the vector correlation are calculated. Four polarization-dependent differential cross sections (PDDCSs) which are sensitive to many photoinitiated bimolecular reaction experiments are presented in the center of the mass frame, respectively. The differential cross section indicates that the OH product mainly tends to the forward scattering, and other PDDCSs are also influenced by the vibration levels of HF.展开更多
Quasiclassical trajectory calculation of the title reaction O(^3P)+H2→OH+H at three different scattering energies of 0.5, 0.75, and 1.0 eV on the lowest electronic potential energy surface 1^3A" has been done. D...Quasiclassical trajectory calculation of the title reaction O(^3P)+H2→OH+H at three different scattering energies of 0.5, 0.75, and 1.0 eV on the lowest electronic potential energy surface 1^3A" has been done. Distribution P(θr) of polar angles between the relative velocityk of the reactant and rotational angular momentum vector j' of the product, distribution P(φr) of the azimuthal as well as dihedral angles correlating k-k'-j', 3-dimensional distri-bution, and polarization-dependent differential cross sections (PDDCSs)dependent upon the scattering angle of the product molecule OH between the relative velocity k of the reactant and k' of the product at different scattering energies of 0.5, 0.75, and 1.0 eV are presented and discussed.展开更多
文摘A bimorph piezoelectric beam with periodically variable cross-sections is used for the vibration energy harvesting. The effects of two geometrical parameters on the first band gap of this periodic beam are investigated by the generalized differential quadrature rule (GDQR) method. The GDQR method is also used to calculate the forced vibration response of the beam and voltage of each piezoelectric layer when the beam is subject to a sinusoidal base excitation. Results obtained from the analytical method are compared with those obtained from the finite element simulation with ANSYS, and good agreement is found. The voltage output of this periodic beam over its first band gap is calculated and compared with the voltage output of the uniform piezoelectric beam. It is concluded that this periodic beam has three advantages over the uniform piezoelectric beam, i.e., generating more voltage outputs over a wide frequency range, absorbing vibration, and being less weight.
基金Project partially supported by the Ministry of Education,Science and Culture of Japan and the National Natural Science Foundation of China.
文摘The energy loss spectrum of the molecular nitrogen in the energy region 12 -14 eV has been measured at 300 eV impact energy and in the range of scattering angles of 2.75℃- 10.25℃. The differential cross sections and generalized oscillator strengths have been determined for individual vibronic excitation band (v’ = 1 - 4) of b1Пu from the ground state of N2 and the absolute optical oscillator strengths have also been obtained by taking the limit of K→ 0. Results have been compared with experimental data and theoretical calculations previously published.
基金Project supported by the Science Fund from Jilin University,China(Grant No.419080106440)the Chinese National Fusion Project for ITER(Grant No.2010GB104003)the National Natural Science Foundation of China(Grant No.10974069)
文摘Quasi-classical trajectory (QCT) studies on the stereodynamics of H + BrO → O+ HBr reaction have been performed on the X1A' state of ab initio potential energy surface by Peterson [Peterson K A 2000 J. Chem. Phys. 113 4598] in a collision energy range from 0 kcal/mol to 6 kcal/mol. Two of the polarization-dependent generalized differential cross sections (PDDCSs), (2π/σ)(dσ 00/d ω) (PDDCSoo) and (2π/σ)(dσ20/doh) (PDDCS20) are considered. The rotational polarizations of these products show sensitive behaviors to the calculated collision energy range. Furthermore, in order to gain more knowledge about vector correlations, the product angular distribution, P(θr), and the dihedral angle, P (Фr), are calculated, and the results indicate that both the rotational alignment and orientation of the product are enhanced as collision energy increases.
基金Project supported by the Fund from the Jilin University,China(Grant No.419080106440)the Chinese National Fusion Project for the International Thermonuclear Experimental Reactor(ITER)(Grant No.2010GB104003)the National Natural Science Foundation of China(Grant No.10974069)
文摘In this paper, the stereodynamics of Li + DF → Li F + D reaction is investigated by the quasi-classical trajectory(QCT)method on the ^2A' potential energy surface(PES) at a relatively low collision energy of 8.76 kcal/mol. The scalar properties of the title reaction such as reaction probability and cross section are studied with vibrational quantum number of v = 1–6. The product angular distributions P(θr) and P(φr) are presented in the same vibrational level range. Moreover, two polarization-dependent generalized differential cross sections(PDDCSs), i.e., the PDDCS00 and PDDCS22+are calculated as well. These stereodynamical results demonstrate sensitive behaviors to the vibrational quantum numbers.
基金ACKNOWLEDGMENTS This work was supported by the Jilin University, China (No.419080106440), the Chinese National Fusion Project for ITER (No.2010GB104003), and the National Natural Science Foundation of China (No.10974069). Many thanks to Prof. Ke-li Han for providing the stereodynamics program.
文摘The reagent rotational excitation effect on the stereodynamics of H+LiF→HF+Li is calcu-lated by means of the quasi-classical trajectory method on the Aguado-Paniagua2-potential energy surface (AP2-PES) constructed by Aguado et al. [J. Chem. Phys. 106, 1013 (1997)]. The angular distributions of vector correlations between products and reactants, P(?r) and P(Φr) are presented. Meanwhile, the four polarization-dependent generalized differential cross sections are computed. The results indicate that the reagent rotational quantum num-bers have impact on the vector properties of the title reaction. In addition, the reaction probability has been calculated as well.
基金supported by the National Natural Science Foundation of China (Grant No.11074103)the Discipline ConstructionFund of Ludong University,China
文摘Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D- + H2 and H- + D2 is studied at a collision energy of 35.7 kcal/mol. Four generalized polarization-dependent differential cross sections (2π/σ) (dσ00/dωt), (2π/σ) (dσ20/dσ20), (27π/σ) (dσ22+/dwt), and (2π/σ)(dπ/σ) are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P(θr), P(~r) and P(Oφ) of the title reactions are also analysed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j^1 sensitively depend on reagent molecule vibration.
基金Project supported by the National Natural Science Foundation of China (Grant No 10574083)the Natural Science Foundation of Shandong Province of China (Grant No Y2006A23)partially by the National Basic Research Program of China (GrantNo 2006CB806000)
文摘This paper studies the influence of the reagent vibration on the reaction O(1D)+HF→HO+F by using a quasiclassical trajectory method on the new ab initio 1A' ground singlet potential energy surface (Gomez-Carrasco et al 2007 Chem. Phys. Lett. 435 188 193). The product angular distributions which reflect the vector correlation are calculated. Four polarization-dependent differential cross sections (PDDCSs) which are sensitive to many photoinitiated bimolecular reaction experiments are presented in the center of the mass frame, respectively. The differential cross section indicates that the OH product mainly tends to the forward scattering, and other PDDCSs are also influenced by the vibration levels of HF.
文摘Quasiclassical trajectory calculation of the title reaction O(^3P)+H2→OH+H at three different scattering energies of 0.5, 0.75, and 1.0 eV on the lowest electronic potential energy surface 1^3A" has been done. Distribution P(θr) of polar angles between the relative velocityk of the reactant and rotational angular momentum vector j' of the product, distribution P(φr) of the azimuthal as well as dihedral angles correlating k-k'-j', 3-dimensional distri-bution, and polarization-dependent differential cross sections (PDDCSs)dependent upon the scattering angle of the product molecule OH between the relative velocity k of the reactant and k' of the product at different scattering energies of 0.5, 0.75, and 1.0 eV are presented and discussed.