Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored. The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of Sciences.     

基于矩阵初等变换的n元函数极值的快速判别法

给出了 n元函数极值的一个充分条件 ,并结合矩阵的初等变换建立了 n元函数极值的一种快速判别法 ,最后给出了一个例子     

Pointwise and L2 bounds in some nonstandard problems for the heat equation

We consider some initial-boundary value problems for the linear and nonlinear heat equation where the gradient of the solution is prescribed on the boundary. Assuming that a solution exists, we obtain bounds for the solution and its gradient by maximum principle arguments or by means of differential and integral inequalities.     

New efficient numerical procedures for solving stochastic variational problems with a priori maximum pointwise error estimates

In a previous paper we gave a new formulation and derived the Euler equations and other necessary conditions to solve strong, pathwise, stochastic variational problems with trajectories driven by Brownian motion. Thus, unlike current methods which minimize the control over deterministic functionals (the expected value), we find the control which gives the critical point solution of random functionals of a Brownian path and then, if we choose, find the expected value.This increase in information is balanced by the fact that our methods are anticipative while current methods are not. However, our methods are more directly connected to the theory and meaningful examples of deterministic variational theory and provide better means of solution for free and constrained problems. In addition, examples indicate that there are methods to obtain nonanticipative solutions from our equations although the anticipative optimal cost function has smaller expected value.In this paper we give new, efficient numerical methods to find the solution of these problems in the quadratic case. Of interest is that our numerical solution has a maximal, a priori, pointwise error of O(h3/2) where h is the node size. We believe our results are unique for any theory of stochastic control and that our methods of proof involve new and sophisticated ideas for strong solutions which extend previous deterministic results by the first author where the error was O(h²).We note that, although our solutions are given in terms of stochastic differential equations, we are not using the now standard numerical methods for stochastic differential equations. Instead we find an approximation to the critical point solution of the variational problem using relations derived from setting to zero the directional derivative of the cost functional in the direction of simple test functions.Our results are even more significant than they first appear because we can reformulate stochastic control problems or constrained calculus of variations problems in the unconstrained, stochastic calculus of variations formulation of this paper. This will allow us to find efficient and accurate numerical solutions for general constrained, stochastic optimization problems. This is not yet being done, even in the deterministic case, except by the first author.     

Relations among eigenvalues of Sturm-Liouville problems with different types of leading coefficient functions

For any Sturm-Liouville problem with a separable boundary condition and whose leading coefficient function changes sign (exactly once), we first give a geometric characterization of its eigenvalues λn using the eigenvalues of some corresponding problems with a definite leading coefficient function. Consequences of this characterization include simple proofs of the existence of the λn's, their Prüfer angle characterization, and a way for determining their indices from the zeros of their eigenfunctions. Then, interlacing relations among the λn's and the eigenvalues of the corresponding problems are obtained. Using these relations, a simple proof of asymptotic formulas for the λn's is given.     

The solution existence of general variational inclusion problems

We propose general variational inclusion problems which are slightly different from corresponding problems considered in several recent papers in the literature and show that they are advantageous. Sufficient conditions for the solution existence are established. As applications we derive consequences for several special cases of variational inclusion problems, quasioptimization problems, equilibrium problems and implicit variational inequalities and show that they improve the results of some recent existing papers.     

On the properties of solutions to the Goursat-Darboux problem with boundary and distributed controls

We consider a control system described by the Goursat-Darboux equation. The system is controlled by distributed and boundary controls. The controls are subject to the constraints given as multivalued mappings with closed, possibly nonconvex, values depending on the phase variable. Alongside the initial constraints, we consider the convexified constraints and the constraints whose values are the extreme points of the convexified constraints. We study the questions of existence of solutions and establish connections between the solutions under various constraints.     

Front roughening in three-dimensional imbibition

We investigate the structure and dynamics of the interface between two immiscible liquids in a three-dimensional disordered porous medium. We apply a phase-field model that includes explicitly disorder and discuss both spontaneous and forced imbibition. The structure of the interface is dominated by a length scale ξ_× which arises from liquid conservation. We further show that disorder in the capillary and permeability act on different length scales and give rise to different scalings and structures of the interface properties. We conclude with a range of applications.     

Fixed-sign solutions for a system of singular focal boundary value problems

We consider a system of focal boundary value problems where the nonlinearities may be singular in the independent variable and may also be singular in the dependent arguments. Using Schauder fixed point theorem, we establish criteria such that the system of boundary value problems has at least one fixed-sign solution.     

Nonlinear second-order equations with functional implicit impulses and nonlinear functional boundary conditions

In this paper we deal with nonlinear second-order boundary value problems with impulses. The impulsive functions depend implicitly on the different considered variables and the boundary value conditions are nonlinear. In both cases functional dependence on the solution is allowed. The existence results follow from the existence of a pair of well-ordered lower and upper solutions.