Atomic-level mechanisms of short-circuit diffusion in materials

Chesser, Ian; Koju, Raj K.; Mishin, Yuri

doi:10.1515/ijmr-2023-0202

Title: Atomic-level mechanisms of short-circuit diffusion in materials

Journal Article · 28 January 2024 · International Journal of Materials Research

DOI: https://doi.org/10.1515/ijmr-2023-0202 · OSTI ID:2290318

Chesser, Ian ^[1]; Koju, Raj K. ^[2]; Mishin, Yuri ^[2]

George Mason University, Fairfax, VA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
George Mason University, Fairfax, VA (United States)

This paper reviews the recent progress in understanding the atomic mechanisms of short-circuit diffusion along materials interfaces, such as grain and interphase boundaries, as well as lattice and interfacial dislocations/disconnections. Recent atomistic computer simulations have shown that short-circuit diffusion is dominated by collective atomic rearrangements in the form of strings and rings of mobile atoms. The process is dynamically heterogeneous in space and time and has many features in common with atomic dynamics in supercooled glass-forming liquids. We discuss examples of grain boundary, interphase boundary, and dislocation diffusion in metals and alloys, including the solute effect on the diffusion rates and mechanisms. Interphase boundaries are exemplified by Al–Si interfaces with diverse orientation relationships and atomic structures. The hierarchy of short-circuit diffusion paths in materials is reviewed by comparing the rates of grain boundary, interphase boundary, and dislocation diffusion. Future directions in the field of short-circuit diffusion in defect core regions are discussed.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); George Mason University, Fairfax, VA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: 89233218CNA000001; SC0023102

OSTI ID:: 2290318

Report Number(s):: LA-UR--23-27145

Journal Information:: International Journal of Materials Research, Journal Name: International Journal of Materials Research Journal Issue: 2 Vol. 115; ISSN 1862-5282

Publisher:: Carl Hanser VerlagCopyright Statement

Country of Publication:: United States

Language:: English

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