Electrical current-assisted reactive crucible melting technique: Case study of the Fe-Sn system

Abstract

Modern materials science relies heavily on the advancement of combinatorial high-throughput experimental and computational methods to discover new advanced materials. Among these methods, the reactive crucible melting (RCM) technique stands out as particularly promising. However, a significant challenge in RCM combinatorial analysis is the occurrence of "missing" phases. In this study, we successfully addressed this limitation through the application of electrical current stressing. Furthermore, we investigate the influence of electric current stressing on diffusion rates and the phase formation processes within the reactive crucible. We employed Comsol Multiphysics modeling to analyze the experimental results in the framework of electromigration theory, focusing on the distribution of electrical field lines, temperature gradients, and current density values. Additionally, through the integration of finite element calculations with analysis of Electron Backscatter Diffraction (EBSD) and Magneto-Optical Kerr Effect (MOKE) data, we estimated the gradient of internal stresses along the boundaries of the crucible's reaction volume induced by the diffusion of electrically-induced vacancies and adatoms. Due to modest values of the current density in our experiment and the disparity between the rates of crucible body dissolution and vacancy diffusion, no compressive or tensile stresses were observed. Nonetheless, we propose that the developed electrical current-assisted reactive crucible melting technique holds promise for synthesizing metastable phases existing under high positive or negative pressures.