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Molecular dynamics simulation of melting behaviour of small gold clusters: Au-N (N=12-14)

Yıldırım, Erdem Kamil; Atış, Murat; Güvenç, Ziya B. (IOP Publishing ltd, 2007-01)

We have investigated the melting behaviour of AuN (N = 12 - 14) clusters by means of molecular dynamics simulation on the basis of the Voter - Chen version of the embedded-atom method. The melting behaviour of the clusters ...
Thermal stability of metallic single-walled carbon nanotubes: an O(N) tight-binding molecular dynamics simulation study

Dereli, Gülay; Süngü Mısıroğlu, Banu; Özdoğan, Cem (IOP Publishing ltd, 2007-01-20)

Order(N) tight-binding molecular dynamics (TBMD) simulations are performed to investigate the thermal stability of ( 10, 10) metallic single-walled carbon nanotubes (SWCNTs). Periodic boundary conditions (PBCs) are applied ...

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