The Effects of Cross Section Shapes of Nickel Nanowires on its Thermal Properties

The purpeose of this artticle is studying the effects of cross section of Ni nanowires on its thermal propertiesby Molecular Dynamics simulation (MD). We calculate the thermal properties at constant temperature and constantvolume ensemble (NVT). The cohesive energy of the nanowires systems was used by Embedded-Atom-Method (EAM).Temperature of the system was controlled by Nose-Hoover thermostat. The effects of the different cross-section ofnanowire such as Triangular, Square, Hexagonal, Octagonal and Circular on the thermal properties were calculated. Theresults show that, by increasing the cross section edges in nanowires, the surface to volume ratio is reduced and meltingtempreture and the melting lantent heat and the cohesive Energy increase.

کلیدواژه ها:

Molecular Dynamics ، Ni nanowire ، Thermal properties