Developing new techniques for the prediction of materials behaviors in nano-scales has
been an attractive and challenging area for many researches. Molecular Dynamics (MD) is the
popular method that is usually used to simulate the behavior of nano-scale material. Considering
high computational costs of MD, however, has made this technique inapplicable as well as
inflexible in various situations. To overcome these difficulties, alternative procedures are thought.
Considering its capabilities, Finite Element Analysis (FEA) seems to be the most appropriate
substitute for MD simulations in most cases. But since the material properties in nano, micro, and
macro scales are different, therefore to use FEA methods in nano-scale modeling one must use
material properties appropriate to that scale. To this end, a previously developed Hybrid Molecular
Dynamics-Finite Element (HMDFE) approach was used to investigate the nanoindentation behavior
of single crystal silicon with Berkovich indenter. In this study, a FEA model was developed based
on the material properties extracted from molecular dynamics simulation of uniaxial tension test on
single crystal Silicon. Eventually, by comparison of FEA results with experimental data, the validity
of this new technique for the prediction of nanoindentation behavior of Silicon was concluded.