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  4. № 12 2010
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Mechanical properties simulation of nanolayered silicon structures

V.Ivaschenko,
 
V.Shevchenko,
 
N.Yu. Pavlova
 

I. M. Frantsevich Institute for Problems of Materials Science of the NAS of Ukraine, Omeliana Pritsaka str.,3, Kyiv, 03142, Ukraine
Mathematical Models and Computing Experiment in Material Science - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2010, #12
http://www.materials.kiev.ua/article/353

Abstract

Molecular dynamics simulations were carried out to investigate the behaviour of nano-layered silicon structures under uni-axial compression. The diamond-like silicon structure inside the thin (< 3 nm) twin layers was found to transform to orthorhombic structure (space group Fmmm) at ~ 25 GPa under uni-axial compression, and to the tetragonal structure (space group I4/mmm) upon decompression.


MOLECULAR DYNAMICS, NANOLAYER, SILICON, STRUCTURE TRANSFORMATION

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