Guo Yong-Xin

High-Pressure Behaviour of β-HMX Crystal Studied by DFT-LDA

Density functional theory (DFT) with local density approximation (LDA) is employed to study the structural and electronic properties of the high explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under high pressure compression up to 40 GPa. Pressure dependences of the cell volume, lattice constants, and molecular geometry of solid β-HMX are presented and discussed. It is found that N-N and N-C bonds are subject to significant change. This may implies that these bonds may be related to the sensitivity. The band gap is calculated and plotted as a function of pressure. Compared the experimental results with other theoretical works we find that LDA gives good results.

Symmetries of mechanical systems with nonlinear nonholonomic constraints

The dynamical symmetries and adjoint symmetries of nonlinear nonholonomic constrained mechanical systems are analysed in two kinds of geometrical frameworks whose evolution equations are Rouths equations and generalized Chaplygins equations, respectively. The Lagrangian inverse problem and the interrelation between Noethers symmetries and dynamical symmetries are briefly concerned with. Finally an illustrative example is analysed.

Lie Symmetrical Perturbation and Adiabatic Invariants of Generalized Hojman Type for Relativistic Birkhoffian Systems

For a relativistic Birkhoffian system, the Lie symmetrical perturbation and adiabatic invariants of generalized Hojman type are studied under general infinitesimal transformations. On the basis of the invariance of relativistic Birkhoffian equations under general infinitesimal transformations, Lie symmetrical transformations of the system are constructed, which only depend on the Birkhoffian variables. The exact invariants in the form of generalized Hojman conserved quantities led by the Lie symmetries of relativistic Birkhoffian system without perturbations are given. Based on the definition of higher-order adiabatic invariants of a mechanical system, the perturbation of Lie symmetries for relativistic Birkhoffian system with the action of small disturbance is investigated, and a new type of adiabatic invariants of the system is obtained. In the end of the paper, an example is given to illustrate the application of the results.

Geometric formulations and variational integrators of discrete autonomous Birkhoff systems

The variational integrators of autonomous Birkhoff systems are obtained by the discrete variational principle. The geometric structure of the discrete autonomous Birkhoff system is formulated. The discretization of mathematical pendulum shows that the discrete variational method is as effective as symplectic scheme for the autonomous Birkhoff systems.

Canonical formulation of nonholonomic constrained systems

Based on the Ehresmann connection theory and symplectic geometry, the canonical formulation of nonholonomic constrained mechanical systems is described. Following the Lagrangian formulation of the constrained system, the Hamiltonian formulation is given by Legendre transformation. The Poisson bracket defined by an anti-symmetric tensor does not satisfy the Jacobi identity for the non-integrability of nonholonomic constraints. The constraint manifold can admit symplectic sub-manifold for some cases, in which the Lie algebraic structure exists.

Integrability for peaffian constrained systems: A geometrical theory

There exists an Ehresmann connection on the fibred constrained sub-manifold defined by Pfaffian differential constraints. It is proved that curvature of the connection is closely related to the d-σ commutation relation in the classical nonholonomic mechanics. It is also proved that conditions of complete integrability for Pfaffian systems in Frobenius sense are equivalent to the three requirements upon the conditional variations in the classical calculus of variations: (1) the variations belong to the constrained manifold, (2) variational operators commute with differential operators, (3) variations satisfy the Chetaevs conditions. Thus this theory verifies the conjecture or experience of researchers of mechanics on the integrability conditions in terms of variation calculus.

Algebraic structure and Poisson integrals of a rotational relativistic Birkhoff system

We have studied the algebraic structure of the dynamical equations of a rotational relativistic Birkhoff system. It is proven that autonomous and semi-autonomous rotational relativistic Birkhoff equations possess consistent algebraic structure and Lie algebraic structure. In general, non-autonomous rotational relativistic Birkhoff equations possess no algebraic structure, but a type of special non-autonomous rotational relativistic Birkhoff equation possesses consistent algebraic structure and consistent Lie algebraic structure. Then, we obtain the Poisson integrals of the dynamical equations of the rotational relativistic Birkhoff system. Finally, we give an example to illustrate the application of the results.

Lie symmetrical perturbation and adiabatic invariants of generalized Hojman type for Lagrange systems

Based on the invariance of differential equations under infinitesimal transformations of group, Lie symmetries, exact invariants, perturbation to the symmetries and adiabatic invariants in form of non-Noether for a Lagrange system are presented. Firstly, the exact invariants of generalized Hojman type led directly by Lie symmetries for a Lagrange system without perturbations are given. Then, on the basis of the concepts of Lie symmetries and higher order adiabatic invariants of a mechanical system, the perturbation of Lie symmetries for the system with the action of small disturbance is investigated, the adiabatic invariants of generalized Hojman type for the system are directly obtained, the conditions for existence of the adiabatic invariants and their forms are proved. Finally an example is presented to illustrate these results.

Research on the discrete variational method for a Birkhoffian system

In this paper, we present a new integration algorithm based on the discrete Pfaff—Birkhoff principle for Birkhoffian systems. It is proved that the new algorithm can preserve the general symplectic geometric structures of Birkhoffian systems. A numerical experiment for a damping oscillator system is conducted. The result shows that the new algorithm can better simulate the energy dissipation than the R-K method, which illustrates that we can numerically solve the dynamical equations by the discrete variational method in a Birkhoffian framework for the systems with a general symplectic structure. Furthermore, it is demonstrated that the results of the numerical experiments are determined not by the constructing methods of Birkhoffian functions but by whether the numerical method can preserve the inherent nature of the dynamical system.

Conformal Invariance and Noether Conserved Quantities of First-Order Lagrange Systems

In this paper the conformal invariance by infinitesimal transformations of first-order Lagrange systems is discussed in detail. The necessary and sufficient conditions of conformal invariance by the action of infinitesimal transformations being Lie symmetry simultaneously are given. Then we get the conserved quantities of conformal invariance by the infinitesimal transformations. Finally an example is given to illustrate the application of the results.