Open AccessNano cluster manipulation success considering flexibility of system: Coarse grained molecular dynamics simulations
Author(s) -
M. H. Korayem,
V. Rahneshin,
Sadegh Sadeghzadeh
Publication year - 2012
Publication title -
scientia iranica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.299
H-Index - 51
eISSN - 2345-3605
pISSN - 1026-3098
DOI - 10.1016/j.scient.2012.06.022
Subject(s) - nano , cluster (spacecraft) , molecular dynamics , flexibility (engineering) , materials science , parametric statistics , macro , nanotechnology , dynamics (music) , process (computing) , computer science , composite material , chemistry , physics , computational chemistry , mathematics , statistics , acoustics , programming language , operating system
AbstractIn this paper, the results of using a Coarse Grained Molecular Dynamics (CGMD) model to simulate the process of manipulation of nano clusters with a flexible tip are reported, and the reasons for some failures are discussed. After comparison of these results with those from a macro model, some failures of the nano manipulation process, due to damage, fracture, or crushing of tip, substrate, and nano cluster, are examined. At the end, after a parametric study of nano cluster deformations, the use of the tip cluster, εp-SP diagram, for optimal selection of the tip material, is discussed