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Molecular dynamics study of the atomic energy distribution characteristic of Ag nanorods
LU Min 1,2 ;ZHOU NaiGen 2 ;ZHOU Lang2
Journal of Beijing University of Chemical Technology ›› 2008, Vol. 35 ›› Issue (1) : 33-37.
PDF(960 KB)
PDF(960 KB)
Molecular dynamics study of the atomic energy distribution characteristic of Ag nanorods
The energy distribution characteristics for Ag nanorods at different temperature (including melting) have been investigated moleclular dynamics using an embedded-atom potential. The results showed that the potential energy curves for Ag nanorods have multiple discrete peaks,which retain the same position whilst varying in width and height with temperature .The peaks collapsed to a broadened single-peak as the nanorods were melted. Analysis showed that each peak corresponds to a specific number of nearest neighbor atoms. The peak value is determined by the number of the nearest neighbor atom, whilst the extent of deviation from the peak value is determined by the number of the next-nearest neighbor atoms.
atoms, whilst the extent of deviation from the peak value is determined by the number of the next-nearst neighbor atoms, whilst the extent os deviation from the peak .value is determined by the number of the neareest neigbor atoms.
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