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Electric fields and currents, which are used in innovative materials processing and electrochemical energy conversion, can often alter microstructures in unexpected ways. However, little is known about the underlying mechanisms. Using ZnO-Bi2O3 as a model system, this study uncovers how an applied electric current can change the microstructural evolution through an electrochemically induced grain boundary (GB) transition. By combining aberration-corrected electron microscopy, photoluminescence spectroscopy, first-principles calculations, a generalizable thermodynamic model, and ab initio molecular dynamics, this study reveals that electrochemical reduction can cause a GB disorder-to-order transition to markedly increase GB diffusivities and mobilities. Consequently, abruptly enhanced or abnormal grain growth takes place. These findings advance our fundamental knowledge of GB complexion (phase-like) transitions and electric field effects on microstructural stability and evolution, with broad scientific and technological impacts. A new method to tailor the GB structures and properties, as well as the microstructures, electrochemically can also be envisioned.
A detailed theoretical and numerical investigation of the infinitesimal single-crystal gradient plasticity and grain-boundary theory of Gurtin (2008) A theory of grain boundaries that accounts automatically for grain misorientation and grain-boundary
Mg grain boundary (GB) segregation and GB diffusion can impact the processing and properties of Al-Mg alloys. Yet, Mg GB diffusion in Al has not been measured experimentally or predicted by simulations. We apply atomistic computer simulations to pred
While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion. Atomistic com
It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the formation of the
A systematics of grain boundary (GB) segregation transitions and critical phenomena has been derived to expand the classical GB segregation theory. This study uncovers when GB layering vs. prewetting transitions should occur and how they are related