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Molecular dynamics simulations of boron-nitride nanotubes embedded in amorphous Si-B-N

Griebel, Michael; Hamaekers, Jan (2005-05)

In this article, we examine the elastic properties of boron-nitride nanotubes, which are embedded in amorphous silicon-boron-nitride ceramics. We employ molecular dynamics simulations using the Parrinello-Rahman approach. ...

A molecular dynamics study on the impact of defects and functionalization on the Young modulus of boron-nitride nanotubes

Griebel, Michael; Hamaekers, Jan; Heber, Frederik (2007)

In this article, we examine the Young modulus of (6, m) boron-nitride nanotubes with vacancy and functionalization defects. We employ molecular dynamics simulations using the Parrinello-Rahman approach. To this end, all ......