In the present paper, the establishment of a systematic multi-barycenter mechanics is based on the multi-particle mechanics. The new theory perfects the basic theoretical system of classical mechanics, which finds the...In the present paper, the establishment of a systematic multi-barycenter mechanics is based on the multi-particle mechanics. The new theory perfects the basic theoretical system of classical mechanics, which finds the law of mutual interaction between particle groups, reveals the limitations of Newton’s third law, discovers the principle of the intrinsic relationship between gravity and tidal force, reasonably interprets the origin and change laws for the rotation angular momentum of galaxies and stars and so on. By applying new theory, the multi-body problem can be transformed into a special two-body problem and for which an approximate solution method is proposed, the motion law of each particle can be roughly obtained.展开更多
Quasiclassical trajectory (QCT) calculations are first carried out to study the stereodynamics of the S (3p) + H2 → SH + H reaction based on the ab initio 13Atr potential energy surface (PES) (Lii etal. 2012...Quasiclassical trajectory (QCT) calculations are first carried out to study the stereodynamics of the S (3p) + H2 → SH + H reaction based on the ab initio 13Atr potential energy surface (PES) (Lii etal. 2012 J. Chem. Phys. 136 094308). The QCT-calculated reaction probabilities and cross sections for the S + H2 (v = 0, j = 0) reaction are in good agreement with the previous quantum mechanics (QM) results. The vector properties including the alignment, orientation, and polarization- dependent differential cross sections (PDDCSs) of the product SH are presented at a collision energy of 1.8 eV. The effects of the vibrational and rotational excitations of reagent on the stereodynamics are also investigated and discussed in the present work. The calculated QCT results indicate that the vibrational and rotational excitations of reagent play an important role in determining the stereodynamic properties of the title reaction.展开更多
The stereodynamic properties of the reaction C (^3P) + NO (X2^П) →CN (X^2∑^+) + O (^3P) in different rotational states of reactant NO are studied theoretically by using the quasiclassical trajectory met...The stereodynamic properties of the reaction C (^3P) + NO (X2^П) →CN (X^2∑^+) + O (^3P) in different rotational states of reactant NO are studied theoretically by using the quasiclassical trajectory method on ^2A″ and ^2A′ potential energy surfaces (PESs) at a collision energy of 0.06 eV. The vector properties in different rotational states on the two surfaces are discussed in detail. The results indicate that the rotational excitation of NO has considerable influence on the stereodynamic property of the reaction occurring on the two surfaces. At the same time, the calculated polarization-dependent differential cross sections (PDDCSs) in different initial rotational states manifest that products are strongly polarized at three scattering angles.展开更多
Quasi-classical trajectory calculations are performed to study the stereodynamics of the H(~2S) + NH(a^1?) →H_2(X^1Σ_g~+) + N(~2D) reaction based on the first excited state NH_2(1~2A') potential energ...Quasi-classical trajectory calculations are performed to study the stereodynamics of the H(~2S) + NH(a^1?) →H_2(X^1Σ_g~+) + N(~2D) reaction based on the first excited state NH_2(1~2A') potential energy surface reported by Li et al.[Li Y Q and Varandas A J C 2010 J. Phys. Chem. A 114 9644] for the first time. We observe the changes of differential cross-sections at different collision energies and different initial reagent rotational excitations. The influence of collision energy on the k-k' distribution can be attributed to a purely impulsive effect. Initial reagent rotational excitation transforms the reaction mechanism from insertion to abstraction. The effect of initial reagent rotational excitations on k-k' distribution can be explained by the rotational excitation enlarging the rotational rate of reagent NH in the entrance channel to reduce the probability of collision between incidence H atom and H atom of target molecular. We also investigate the changes of vector correlations and find that the rotational angular momentum vector j' of the product H_2 is not only aligned, but also oriented along the y axis. The alignment parameter, the disposal of total angular momentum and the reaction mechanism are all analyzed carefully to explain the polarization behavior of the product rotational angular moment.展开更多
Scalar properties and vector correlations of the reactions of O+H2 →OH+H, O+HD→OH+D, O+DH→OD+H, and O+D2 -+OD+D at collision energies of 25 and 34.6 kcal/mole have been studied via the quasi-classical-traj...Scalar properties and vector correlations of the reactions of O+H2 →OH+H, O+HD→OH+D, O+DH→OD+H, and O+D2 -+OD+D at collision energies of 25 and 34.6 kcal/mole have been studied via the quasi-classical-trajectory (QCT) method based on a BMS1 potential energy surface (PES). The generalized polarization-dependent differential cross section and the distributions of the dihedral angle at the collision energy of 34.6 kacl/mole are presented. The calculated results indicate that both the reagent rotational angular momentum and the mass factor have a significant influence on the scalar properties and vector correlations of the title reactions.展开更多
Recently I published a paper in the journal ALAMT (Advances in Linear Algebra & Matrix Theory) and explored the possibility of obtaining products of vectors in dimensions higher than three [1]. In continuation to ...Recently I published a paper in the journal ALAMT (Advances in Linear Algebra & Matrix Theory) and explored the possibility of obtaining products of vectors in dimensions higher than three [1]. In continuation to this work, it is proposed to develop, through dimensional analogy, a vector field with notation and properties analogous to the curl, in this case applied to the space IR4. One can see how the similarities are obvious in relation to the algebraic properties and the geometric structures, if the rotations are compared in spaces of three and four dimensions.展开更多
This paper presents a two-step explicit method of order four for solving aclass of linear periodic initial value problems. At each computational step, only tworight function evaluations and one derivative evaluation a...This paper presents a two-step explicit method of order four for solving aclass of linear periodic initial value problems. At each computational step, only tworight function evaluations and one derivative evaluation are employed. Basing on aspecial vector operation, the method can be extended to the vector-applicable in multi-dimensional space.展开更多
We analyze in this work anisotropic heat conduction induced by a harmonically oscillating laser source incident on rotating conductors, exploiting an analogy with an effect discovered long ago, called the Zel’dovich ...We analyze in this work anisotropic heat conduction induced by a harmonically oscillating laser source incident on rotating conductors, exploiting an analogy with an effect discovered long ago, called the Zel’dovich effect. We re-covered the main results of a recently published paper that predicts the translational Doppler frequency shift of a thermal wave induced on a sample moving with uniform rectilinear motion. We extend then this framework to take into account the frequency shift of a thermal field propagating on a rotating platform. We show that it coincides with the rotational frequency shift which has been recently observed on surface acoustic waves and hydrodynamic surface waves, called rotational superradiance. Finally, we use an analogy with the Tolman effect to deduce a simple estimate of the average temperature gradient induced by rotation, showing the existence of a new cooling effect associated with heat torque transfer.展开更多
文摘In the present paper, the establishment of a systematic multi-barycenter mechanics is based on the multi-particle mechanics. The new theory perfects the basic theoretical system of classical mechanics, which finds the law of mutual interaction between particle groups, reveals the limitations of Newton’s third law, discovers the principle of the intrinsic relationship between gravity and tidal force, reasonably interprets the origin and change laws for the rotation angular momentum of galaxies and stars and so on. By applying new theory, the multi-body problem can be transformed into a special two-body problem and for which an approximate solution method is proposed, the motion law of each particle can be roughly obtained.
基金supported by the National Natural Science Foundation of China(Grant Nos.11074103,10974078,and 11174117)the Discipline Construction Fund of Ludong University,China
文摘Quasiclassical trajectory (QCT) calculations are first carried out to study the stereodynamics of the S (3p) + H2 → SH + H reaction based on the ab initio 13Atr potential energy surface (PES) (Lii etal. 2012 J. Chem. Phys. 136 094308). The QCT-calculated reaction probabilities and cross sections for the S + H2 (v = 0, j = 0) reaction are in good agreement with the previous quantum mechanics (QM) results. The vector properties including the alignment, orientation, and polarization- dependent differential cross sections (PDDCSs) of the product SH are presented at a collision energy of 1.8 eV. The effects of the vibrational and rotational excitations of reagent on the stereodynamics are also investigated and discussed in the present work. The calculated QCT results indicate that the vibrational and rotational excitations of reagent play an important role in determining the stereodynamic properties of the title reaction.
基金supported by the National Natural Science Foundation of China (Grant No. 41075027)
文摘The stereodynamic properties of the reaction C (^3P) + NO (X2^П) →CN (X^2∑^+) + O (^3P) in different rotational states of reactant NO are studied theoretically by using the quasiclassical trajectory method on ^2A″ and ^2A′ potential energy surfaces (PESs) at a collision energy of 0.06 eV. The vector properties in different rotational states on the two surfaces are discussed in detail. The results indicate that the rotational excitation of NO has considerable influence on the stereodynamic property of the reaction occurring on the two surfaces. At the same time, the calculated polarization-dependent differential cross sections (PDDCSs) in different initial rotational states manifest that products are strongly polarized at three scattering angles.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11474141and 11274149)the Program for Liaoning Excellent Talents in University,China(Grant No.LJQ2015040)+2 种基金the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry,China(Grant No.2014-1685)the Special Fund Based Research New Technology of Methanol Conversion and Coal Instead of Oilthe China Postdoctoral Science Foundation(Grant No.2014M550158)
文摘Quasi-classical trajectory calculations are performed to study the stereodynamics of the H(~2S) + NH(a^1?) →H_2(X^1Σ_g~+) + N(~2D) reaction based on the first excited state NH_2(1~2A') potential energy surface reported by Li et al.[Li Y Q and Varandas A J C 2010 J. Phys. Chem. A 114 9644] for the first time. We observe the changes of differential cross-sections at different collision energies and different initial reagent rotational excitations. The influence of collision energy on the k-k' distribution can be attributed to a purely impulsive effect. Initial reagent rotational excitation transforms the reaction mechanism from insertion to abstraction. The effect of initial reagent rotational excitations on k-k' distribution can be explained by the rotational excitation enlarging the rotational rate of reagent NH in the entrance channel to reduce the probability of collision between incidence H atom and H atom of target molecular. We also investigate the changes of vector correlations and find that the rotational angular momentum vector j' of the product H_2 is not only aligned, but also oriented along the y axis. The alignment parameter, the disposal of total angular momentum and the reaction mechanism are all analyzed carefully to explain the polarization behavior of the product rotational angular moment.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 61127012 and 60977063)the Scientific and Technical Innovation and Troop Construction Projects of Henan Province, China (Grant No.124200510013)
文摘Scalar properties and vector correlations of the reactions of O+H2 →OH+H, O+HD→OH+D, O+DH→OD+H, and O+D2 -+OD+D at collision energies of 25 and 34.6 kcal/mole have been studied via the quasi-classical-trajectory (QCT) method based on a BMS1 potential energy surface (PES). The generalized polarization-dependent differential cross section and the distributions of the dihedral angle at the collision energy of 34.6 kacl/mole are presented. The calculated results indicate that both the reagent rotational angular momentum and the mass factor have a significant influence on the scalar properties and vector correlations of the title reactions.
文摘Recently I published a paper in the journal ALAMT (Advances in Linear Algebra & Matrix Theory) and explored the possibility of obtaining products of vectors in dimensions higher than three [1]. In continuation to this work, it is proposed to develop, through dimensional analogy, a vector field with notation and properties analogous to the curl, in this case applied to the space IR4. One can see how the similarities are obvious in relation to the algebraic properties and the geometric structures, if the rotations are compared in spaces of three and four dimensions.
文摘This paper presents a two-step explicit method of order four for solving aclass of linear periodic initial value problems. At each computational step, only tworight function evaluations and one derivative evaluation are employed. Basing on aspecial vector operation, the method can be extended to the vector-applicable in multi-dimensional space.
文摘We analyze in this work anisotropic heat conduction induced by a harmonically oscillating laser source incident on rotating conductors, exploiting an analogy with an effect discovered long ago, called the Zel’dovich effect. We re-covered the main results of a recently published paper that predicts the translational Doppler frequency shift of a thermal wave induced on a sample moving with uniform rectilinear motion. We extend then this framework to take into account the frequency shift of a thermal field propagating on a rotating platform. We show that it coincides with the rotational frequency shift which has been recently observed on surface acoustic waves and hydrodynamic surface waves, called rotational superradiance. Finally, we use an analogy with the Tolman effect to deduce a simple estimate of the average temperature gradient induced by rotation, showing the existence of a new cooling effect associated with heat torque transfer.