skip to main content

SciTech ConnectSciTech Connect

Title: Investigation of the thermal stability of Cu nanowires using atomistic simulations

We present a method for determining the melting point of copper nanowires based on classical molecular dynamics simulations and use it to investigate the dependence of the melting point on wire diameter. The melting point is determined as the temperature at which there is a significant change in the fraction of liquid atoms in the wire, according to atomic bond angle analysis. The results for the wires with diameters in the range 1.5 nm to 20 nm show that the melting point is inversely proportional to the diameter while the cross-sectional shape of the wire does not have a significant impact. Comparison of results obtained using different potentials show that while the absolute values of the melting points may differ substantially, the melting point depression is similar for all potentials. The obtained results are consistent with predictions based on the semi-empirical liquid drop model.
Authors:
; ; ;  [1]
  1. Department of Physics and Helsinki Institute of Physics, University of Helsinki, P.O. Box 43, Helsinki, FIN-00014 (Finland)
Publication Date:
OSTI Identifier:
22304214
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 21; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; BOND ANGLE; COMPUTERIZED SIMULATION; COPPER; FORECASTING; LIQUID DROP MODEL; LIQUIDS; MELTING POINTS; MOLECULAR DYNAMICS METHOD; NANOWIRES; QUANTUM WIRES; STABILITY