Investigation of Lin, H-Lin and O-Lin interactions in fcc(100) and fcc(110) surface symmetries by molecular dynamic simulation method

Abstract

Molecular dynamic simulation method (MDSM) was used for investigating lithium atom interactions and the chemisorption of atomic hydrogen and atomic oxygen on the lithium surface. A time-order series of atomic co-ordinates representing the motion of every atom in the system was generated by MDSM method. The microclusters containing 3-7 atoms of various elements in different crystalline structures were studied. The calculated results from MDSM were found to agree with those of literature.