Groupoids, Discrete Mechanics, and Discrete Variation

After introducing some of the basic definitions and results from the theory of groupoid and Lie algebroid, we investigate the discrete Lagrangian mechanics from the viewpoint of groupoid theory and give the connection between groupoids variation and the methods of the first and second discrete variational principles.     

Estimating Topology of Discrete Dynamical Networks

In this paper, by applying Lasalle＇s invariance principle and some results about the trace of a matrix, we propose a method for estimating the topological structure of a discrete dynamical network based on the dynamical evolution of the network. The network concerned can be directed or undirected, weighted or unweighted, and the local dynamics of each node can be nonidentical. The connections among the nodes can be all unknown or partially known, Finally, two examples, including a Henon map and a central network, are illustrated to verify the theoretical results.     

An Integrable Symplectic Map Related to Discrete Nonlinear SchrSdinger Equation

The method of nonlinearization of spectral problem is developed and applied to the discrete nonlinear Schr6dinger （DNLS） equation which is a reduction of the Ablowitz-Ladik equation with a reality condition. A new integable symplectic map is obtained and its integrable properties such as the Lax representation, r-matrix, and invariants are established.     

Higher-Dimensional Lie Algebra and New Integrable Coupling of Discrete KdV Equation

Based on semi-direct sums of Lie subalgebra G, a higher-dimensional 6 × 6 matrix Lie algebra sμ（6） is constructed. A hierarchy of integrable coupling KdV equation with three potentials is proposed, which is derived from a new discrete six-by-six matrix spectral problem. Moreover, the Hamiltonian forms is deduced for lattice equation in the resulting hierarchy by means of the discrete variational identity -- a generalized trace identity. A strong symmetry operator of the resulting hierarchy is given. Finally, we prove that the hierarchy of the resulting Hamiltonian equations is Liouville integrable discrete Hamiltonian systems.     

Study of electronic structures and absorption bands of BaMgF4 crystal with F colour centre

The electronic structures of BaMgF 4 crystals containing an F colour centre are studied within the framework of the fully relativistic self-consistent Direc-Slater theory,using a numerically discrete variational (DV-Xα) method. It is concluded from the calculated results that the energy levels of the F colour centre are located in the forbidden band. The optical transition energy from the ground state to the excited state for the F colour centre is about 5.12 eV,which corresponds to the 242-nm absorption band. These calculated results can explain the origin of the absorption bands.     

Hamiltonian Forms for a Hierarchy of Discrete Integrable Coupling Systems

A semi-direct sum of two Lie algebras of four-by-four matrices is presented, and a discrete four-by-four matrix spectral problem is introduced. A hierarchy of discrete integrable coupling systems is derived. The obtained integrable coupling systems are all written in their Hamiltonian forms by the discrete variational identity. Finally, we prove that the lattice equations in the obtained integrable coupling systems are all Liouville integrable discrete Hamiltonian systems.     

New Positive and Negative Hierarchies of Integrable Differential-Difference Equations and Conservation Laws

Two hierarchies of nonlinear integrable positive and negative lattice equations are derived from a discrete spectrak problem. The two lattice hierarchies are proved to have discrete zero curvature representations associated with a discrete spectral problem, which also shows that the positive and negative hierarchies correspond to positive and negative power expansions of Lax operators with respect to the spectral parameter, respectively. Moreover, the integrable lattice models in the positive hierarchy are of polynomial type, and the integrable lattice models in the negative hierarchy are of rational type. Further, we construct infinite conservation laws about the positive hierarchy.     

Numerical Simulation of Antennae by Discrete Exterior Calculus

Numerical simulation of antennae is a topic in computational electromagnetism, which is concerned with the numerical study of Maxwell equations. By discrete exterior calculus and the lattice gauge theory with coefficient R, we obtain the Bianchi identity on prism lattice. By defining an inner product of discrete differential forms, we derive the source equation and continuity equation. Those equations compose the discrete Maxwell equations in vacuum case on discrete manifold, which are implemented on Java development platform to simulate the Gaussian pulse radiation on antennaes.     

Difference Discrete Variational Principles,Euler—Lagrange Cohomology and Symplectic,Multisymplectic Structures Ⅲ：Application to Symplectic and Multisymplectic Algorithms

In the previous papers I and II,we have studied the difference discrete variational principle and the Euler-Lagrange cohomology in the framework of multi-parameter differential approach.We have gotten the difference discrete Euler-Lagrange equations and canonical ones for the difference discrete versions of classical mechanics and field theory as well as the difference discrete versions for the Euler-Lagrange cohomology and applied them to get the necessary and sufficient condition for the symplectic or multisymplectic geometry preserving properties in both the lagrangian and Hamiltonian formalisms.In this paper,we apply the difference discrete variational principle and Euler-Lagrange cohomological approach directly to the symplectic and multisymplectic algorithms.We will show that either Hamiltonian schemes of Lagrangian ones in both the symplectic and multisymplectic algorithms are variational integrators and their difference discrete symplectic structure-preserving properties can always be established not only in the solution space but also in the function space if and only if the related closed Euler-Lagrange cohomological conditions are satisfied.     

Difference Discrete Variational Principles, Euler-Lagrange Cohomology and Symplectic, Multisyrnplectic Structures Ⅲ: Application to Symplectic and Multisymplectic Algorithms

In the previous papers I and H, we have studied the difference discrete variational principle and the EulerLagrange cohomology in the framework of multi-parameter differential approach. W5 have gotten the difference discreteEulcr-Lagrangc equations and canonical ones for the difference discrete versions of classical mechanics and tield theoryas well as the difference discrete versions for the Euler-Lagrange cohomology and applied them to get the necessaryand sufficient condition for the symplectic or multisymplectic geometry preserving properties in both the Lagrangianand Hamiltonian formalisms. In this paper, we apply the difference discrete variational principle and Euler-Lagrangecohomological approach directly to the symplectic and multisymplectic algorithms. We will show that either Hamiltonianschemes or Lagrangian ones in both the symplectic and multisymplectic algorithms arc variational integrators and theirdifference discrete symplectic structure-preserving properties can always be established not only in the solution spacebut also in the function space if and only if the related closed Euler Lagrange cohomological conditions are satisfied.     

Mei Symmetry of General Discrete Holonomic System

The Mei symmetry and conserved quantity of general discrete holonomic system are investigated in this paper. The requirement for an invariant formalism of discrete motion equations is defined to be Mei symmetry. The criterion when a conserved quantity may be obtained from Mei symmetry is also deduced. An example is discussed for applications of the results.     

Integrable Properties Associated with a Discrete Three-by-Three Matrix Spectral Problem

Based on a new discrete three-by-three matrix spectral problem, a hierarchy of integrable lattice equations with three potentials is proposed through discrete zero-curvature representation, and the resulting integrable lattice equation reduces to the classical Toda lattice equation. It is shown that the hierarchy possesses a HamiItonian structure and a hereditary recursion operator. Finally, infinitely many conservation laws of corresponding lattice systems are obtained by a direct way.     

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.     

Double Symplectic Eigenfunction Expansion Method of Free Vibration of Rectangular Thin Plates

The free vibration problem of rectangular thin plates is rewritten as a new upper triangular matrix differential system. For the associated operator matrix, we find that the two diagonal block operators are Hamiltonian. Moreover, the existence and completeness of normed symplectic orthogonal eigenfunction systems of these two block operators are demonstrated. Based on the completeness, the general solution of the free vibration of rectangular thin plates is given by double symplectie eigenfunction expansion method.     

Noncommutative Differential Calculus Approach to Discrete Symplectic Schemes on Regular Lattice

By means of a noncommutative differential calculus on function space of discrete Abelian groups and that of the regular lattice with equal spacing as well as the discrete symplectic geometry and a kind of classical mechanical systems with separable Hamiltonian of the type H(p, q) = T(p) + V(q) on regular lattice, we introduce the discrete symplectic algorithm, i.e., the phase-space discrete counterpart of the symplectic algorithm including original symplectic schemes and the jet-symplectic schemes in terms of the discrete time jet bundle formalism, on the regular lattice. We show some numerical calculation examples and compare the results of different schemes.     

Conductivity reconstruction algorithms and numerical simulations for magneto–acousto–electrical tomography with piston transducer in scan mode

Conductivities tomography with the interactions of magnetic field, electrical field, and ultrasound field is presented in this paper. We utilize a beam of ultrasound in scanning mode instead of the traditional ultrasound field generated by point source. Many formulae for the reconstruction of conductivities are derived from the voltage signals detected by two electrodes arranged somewhere on tissue＇s surface. In a forward problem, the numerical solutions of ultrasound fields generated by the piston transducer are calculated using the angular spectrum method and its Green＇s function is designed approximately in far fields. In an inverse problems, the magneto-acousto-electrical voltage signals are proved to satisfy the wave equations if the voltage signals are extended to the whole region from the boundary locations of transducers. Thus the time-reversal method is applied to reconstructing the curl of the reciprocal current density. In addition, a least square iteration method of recovering conductivities from reciprocal current densities is discussed.     

Exchange interaction between vortex and antivortex

The dynamic properties of interacting vortex–antivortex pairs in thin film are studied by analytical calculations. Analytical expressions for the magnetization vector distribution of vortex–antivortex pairs and the trivortex states are given.The magnetic states of the vortices are treated as having rigid structures, i.e., the vortex maintains its spin distribution when moving. The trajectories of the vortex cores are calculated by the Thiele’s equation. It is found that the vortex–antivortex pair rotates around each other when they have opposite polarities, however, vortex and antivortex cores move along straight lines when they have the same polarity. The frequency of the rotation decreases with increasing the distance between the two cores of vortex–antivortex pair, and it has a lower value when a third vortex is introduced.     

The relation between and violation of Hardy＇s non-locality Bell inequality

We give an analytic quantitative relation between Hardy＇s non-locality and Bell operator. We find that Hardy＇s non-locality is a sufficient condition for the violation of Bell inequality, the upper bound of Hardy＇s non-locality allowed by information causality just corresponds to Tsirelson bound of Bell inequality and the upper bound of Hardy＇s non- locality allowed by the principle of no-signaling just corresponds to the algebraic maximum of Bell operator. Then we study the CabeUo＇s argument of Hardy＇s non-locality （a generalization of Hardy＇s argument） and find a similar relation between it and violation of Bell inequality. Finally, we give a simple derivation of the bound of Hardy＇s non-locality under the constraint of information causality with the aid of the above derived relation between Hardy＇s non-locality and Bell operator.     

Thermal transport property of investigated by molecular Ge34 and d-Ge dynamics and the Slack＇s equation

In this study, we evaluate the values of lattice thermal conductivity κL of type Ⅱ Ge clathrate （Ge34） and diamond phase Ge crystal （d-Ce） with the equilibrium molecular dynamics （EMD） method and the Slack＇s equation. The key parameters of the Slack＇s equation are derived from the thermodynamic properties obtained from the lattice dynamics （LD） calculations. The empirical Tersoff＇s potential is used in both EMD and LD simulations. The thermal conductivities of d-Ge calculated by both methods are in accordance with the experimental values. The predictions of the Slack＇s equation are consistent with the EMD results above 250 K for both Ge34 and d-Ge. In a temperature range of 200-1000 K, the κL value of d-Ge is about several times larger than that of Ge34.     

On Superconductivity State in Pure Graphene

We study theoretically the possibility of superconductivity state in pure graphene within the extended attractive Hubbard model. In the absence of disorder, when we use the local attractive interaction potential, U ≌ 5t, where t is hopping term, pure graphene can be in superconductivity state.