Thermal stress-assisted formation of submicron pillars from a thin film of CoCrCuFeNi high entropy alloy: experiments and simulations

Abstract

In this work, for the first time, the thermal stress-assisted formation of submicron pillars (SPs) from a high entropy alloy (HEA) thin film is made possible, and novel molecular dynamics (MD) simulations are proposed to assess the underlying mechanisms. In a series of experiments, the growth of quasi-equiatomic HEA SPs from CoCrCuFeNi HEA thin films was demonstrated under different heating and cooling conditions. Atomistic simulations are performed to probe possible formation mechanisms in two ways. One is to first obtain surface elastic constants and then conduct surface stability analysis with the consideration of size-dependent surface stress. The other is to effectively apply large compressive stress while simplifying the molecular dynamics (MD) model by using the Stoney equation to perform long-term MD simulations. From the former, it is suggested that surface diffusion is likely not the dominant cause for the observed pillar formation. From the latter, it is revealed that the level of compressive stress plays a much greater role than the crystalline structure of the film sample. Light has been shed on the stress-assisted formation of submicron pillars from CoCrCuFeNi HEA films by both experimental and simulation approaches.