Electrodynamics - molecular dynamics simulations of the stability of Cu nanotips under high electric field

Abstract

The shape memory effect and pseudoelasticity in Cu nanowires is one possible pair of mechanisms that prevents high aspect ratio nanosized field electron emitters to be stable at room temperature and permits their growth under high electric field. By utilizing hybrid electrodynamics molecular dynamics simulations we show that a global electric field of 1 GV/m or more significantly increases the stability and critical temperature of spontaneous reorientation of nanosized <100> Cu field emitters. We also show that in the studied tips the stabilizing effect of an external applied electric field is an order of magnitude greater than the destabilization caused by the field emission current. We detect the critical temperature of spontaneous reorientation using the tool that spots the changes in crystal structure. The method is compatible with techniques that consider the change in potential energy, has a wider range of applicability and allows pinpointing different stages in the reorientation processes.