2002/02/02 by Jeong Won Kang, Ho Jung Hwang
Physics and Astronomy · #cond-mat.mtrl-sci
published as Computational Materials Science, Volume 27, Issue 3, May 2003, Pages 305-312
arxiv created 2002/02/02 · arxiv updated 2009/11/30
In order to understand properties of ultrathin copper nanowires, we have simulated several copper nanowires using classical molecular dynamic simulations. As the temperature increases, copper nanowires were transformed into structures of the lowest surface stresses and surface energy, circular cross-section with 111-like surface. As thickness of copper nanowire increases, the breaking of nanowire and the structural transition hardly occurrs. From studies of angular correlation and radial distribution functions, it was shown that ultrathin 111 nanowires was more stable than that of 100 nanowires. The vibrational frequency of nanowires was different to that of bulk about 3 THz and above 8 THz. The structural properties of cylindrical multi-shell nanowires were greatly different from that of face centered cubic.