Structural Self-Organization in a (Crystal–Monolayer Film) Metallic Heterogeneous System with Large Dimensional Discrepancy between the Components

摘要

Molecular dynamic simulation with multiparticle potentials calculated by the embedded-atom method shows that a [(001)Pd-75% Pd-25% Ni solid-solution monolayer-79% Pd-21 % Ni solid-solution monolayer] heterostructure is formed due to structural-morphological transformations and diffusion exchange between Ni and Pd atoms in a system of the Ni monolayer on the (001 )Pd singular surface. The formation of two adjacent solid-solution monolayers ensures their coherent connection by means of elastic deformation and explains the pseudomorphism of subnanofilms with large dimensional discrepancy between the components of the original heterostructure.