Accurate boundary conditions for one-dimensional atomic chains

【Author】

Gang Pang;Shaoqiang Tang;

【Abstract】

<正>In this paper,we design a class of accurate boundary conditions for one-dimensional atomic chain,based on matching the kernel functions.Taking the form of a linear constraint among the displacements and relations near the boundary,the proposed conditions are local in space and time.Consequently,we completely

【Keywords】

Accurate boundary conditions for one-dimensional atomic chains;

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