ausblenden:
Schlagwörter:
Copper; Crystal lattices; Electric conductivity; Molecular dynamics, Atomic arrangement; Boundary structure; Coincidence site lattices; Excess volume; Grain boundary structure; Grain interiors; Grain-boundaries; Lattice type; Systematic study; Tilt grain boundary, Grain boundaries
Zusammenfassung:
Grain boundaries (GBs) in metals usually increase electrical resistivity due to their distinct atomic arrangement compared to the grain interior. While the GB structure has a crucial influence on the electrical properties, its relationship with resistivity is poorly understood. Here, we perform a systematic study on the resistivity-structure relationship in Cu tilt GBs, employing high-resolution in situ electrical measurements coupled with atomic structure analysis of the GBs. Excess volume and energies of selected GBs are calculated using molecular dynamics simulations. We find a consistent relation between the coincidence site lattice (CSL) type of the GB and its resistivity. The most resistive GBs are in the high range of low-angle GBs (14°-18°) with twice the resistivity of high angle tilt GBs, due to the high dislocation density and corresponding strain fields. Regarding the atomistic structure, GB resistivity approximately correlates with the GB excess volume. Moreover, we show that GB curvature increases resistivity by ∼80, while phase variations and defects within the same CSL type do not considerably change it. © 2021 The Authors. Published by American Chemical Society.
