Grain boundary driven Plateau–Rayleigh instability in multilayer nanocrystalline thin film: A phase-field study

Abstract

Thermal stability of nanocrystalline multilayer thin film is of paramount importance as the applications often involve high temperature. Here we report on the layer instability phenomenon in binary polycrystalline thin film initiating from the grain boundary migrations at higher temperatures using phase-field simulations. Effect of layer thickness, bilayer spacing and the absence of grain boundary are also investigated along with the grain boundary mobility of individual phases on the layer stability. Layer instability in the polycrystalline film is shown to arise from the grain boundary grooving which originates spontaneously from the presence of grain boundaries. Our results show that the growth of the perturbation generated from the differential curvature follows Plateau-Rayleigh instability criterion. Increase in layer thickness, lower bilayer thickness as well as lower grain boundary mobility improve layer stability. Phase-field simulations show similar microstructural evolution as has been observed in our Zirconium (Zr)/Zirconium Nitride (ZrN) system experimentally. Detail analysis performed in this work to understand the mechanisms of layer instability leads us to predict measures which will improve the thermal stability of multilayer nanocrystalline thin film.

Simulation of temperature, stress and microstructure fields during laser deposition of Ti–6Al–4V

“…Similar observations were reported in experiments [3]. Simulations with multiple phase-fields [33] would further help to understand its formation and growth mechanisms in our future work.…”

Phase-field study of surface diffusion enhanced break-ups of nanowire junctions

“…The use of variable mobility phase-field models has also been made for effectively incorporating the effect surface diffusion, assuming isotropic interfacial energy [40,41,42]. Such variable mobility phase-field models have been used in simulating the Rayleigh instability in the solid-state [43], destabilisation of nanoporus membranes by grain boundary grooving [44], thermal stability of nanoporus aggregates [45], and, instability in multi-layer nanocrystalline thin-films due to Rayleigh instability driven by grain boundary [46].…”

Zener pinning through coherent precipitate: A phase-field study

“…Additionally, phase field model simulation results have also shown to be qualitatively consistent with experimental observations in many different types of systems and problems. [24][25][26][27][28] Previously through phase field model, the effect of volume fraction, shape, size, anisotropy and coarsening of the second phase particles on Zener pinning has already been studied in detail. 21,23,29 One of the important aspect to consider is the coherency of the second phase particles in Zener pining which has not been studied in much detail.…”