Copper Nanobelt Reorientation by Molecular Dynamics Simulation
SHEN Min1, WEI He-Lin1, WANG Jian2, LIU Zu-Li1
1Department of Physics, Huazhong University of Science and Technology, Wuhan 430074
2Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180, USA
Copper Nanobelt Reorientation by Molecular Dynamics Simulation
SHEN Min1;WEI He-Lin1;WANG Jian2;LIU Zu-Li1
1Department of Physics, Huazhong University of Science and Technology, Wuhan 430074
2Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180, USA
Abstract： Atomic simulations using embedded atom method (EAM) are performed for Cu <100> nanobelts to study the structural and mechanical behaviour. Cu <100> nanobelts are along [001] taken as the z-axis and have a rectangular cross section in the x-y plane, with [100] and [010] taken as x and y axes. The periodic boundary is used along the z-axis to simulate an infinitely long nanobelt, and other surfaces are free. The simulations are carried out under the mechanical loading with an elongation strain rate of 8.0×108s-1 along the z-axis. The results show that the nanobelt undergoes a transition from the initial structure with a <100> axis and {100} lateral surfaces to a new structure with the <112> as the z-axis and the lateral surfaces are {111} and {110} respectively, instead of the original {100} surfaces. The mechanism of the structural transition is ascribed to the dislocation propagation through the nanobelt under the external stresses.
2006, Vol. 23 
