ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Recent advances in understanding diffusion in multiprincipal element systems

A. Dash, A. Paul, S. Sen, S. V. Divinski, J. Kundin, I. Steinbach, B. Grabowski, X. Zhang.

Annual Review of Materials Research, 52, 383-409, (2022)

Recent advances in the field of diffusion in multiprincipal element systems are critically reviewed, with an emphasis on experimental as well as theoretical approaches to determining atomic mobilities (tracer diffusion coefficients) in chemically complex multicomponent systems. The newly elaborated and augmented pseudobinary and pseudoternary methods provide a rigorous framework to access tracer, intrinsic, and interdiffusion coefficients in alloys with an arbitrary number of components. Utilization of the novel tracer-interdiffusion couple method allows for a high-throughput determination of composition-dependent tracer diffusion coefficients. A combination of these approaches provides a unique experimental toolbox to access diffusivities of elements that do not have suitable tracers. The pair-exchange diffusion model, which gives a consistent definition of diffusion matrices without specifying a reference element, is highlighted. Density-functional theory–informed calculations of basic diffusion properties—asrequired for the generation of extensive mobility databases for technological applications—are also discussed.

Keyword(s): diffusion;
DOI: 10.1146/annurev-matsci-081720-092213
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