Studying the atom number impacts on FeNi sample microstructure by molecular dynamics method

Trong Dung Nguyen, Chinh Cuong Nguyen, Kim Hoang Cap

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Abstract

This paper studies the atom number impacts on the microstructure of FeNi bulk sample and FeNi nano-particle sample by Molecular Dynamics (MD) method, using the Sutton-Chen embedded potential and appropriate boundary conditions. The microstructure characteristics analyzed by the radial distribution function (RDF), the energy, the size, and the Common Neighbor Analysis methods (CNA) generate consistent experimental results. Those results of samples at 300 K always contain structural units: FCC, HCP, ICO and Amor.

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References

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