Development of New Outer Boundary Condition for Molecular Dynamics Simulations. Periodic-Shell Boundary Condition.

A New Boundary Condition for Device Simulation Considering Outer Components

A new boundary condition has been introduced in the form of an arbitrary linear combination of voltage and current at the contact thus including both voltage and current control as special cases. Solving an additional equation devices can be simulated with simple circuits connected to device terminals. This paper describes the numerical techniques and discusses as application example the transi...

Boundary condition independence of molecular dynamics simulations of planar elongational flow.

The simulation of liquid systems in a nonequilibrium steady state under planar elongational flow (PEF) for indefinite time is possible only with the use of the so-called Kraynik-Reinelt (KR) periodic boundary conditions (PBCs) on the simulation cell. These conditions admit a vast range of implementation parameters, which regulate how the unit lattice is deformed under elongation and periodicall...

Nvestigation of a Boundary Layer Problem for Perturbed Cauchy-Riemann Equation with Non-local Boundary Condition

Boundary layer problems (Singular perturbation problems) more have been applied for ordinary differential equations. While this theory for partial differential equations have many applications in several fields of physics and engineering. Because of complexity of limit and boundary behavior of the solutions of partial differential equations these problems considered less than ordinary case. In ...

Positive Solutions for Nonlinear Differential Equations with Periodic Boundary Condition

Numerical Boundary Condition Procedures

In this paper we study the stability of finite difference approximations to initial-boundary hyperbolic systems. As is well-known, a proper specification of boundary conditions for such systems is essential for their solutions to be well-defined. We prove a discrete analogue of the above if the numerical boundary conditions are consistent with an inflow part of the problem, they render the over...