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Journal Article
Observations of grain-boundary phase transformations in an elemental metal
2020
Overview
The theory of grain boundary (the interface between crystallites, GB) structure has a long history
1
and the concept of GBs undergoing phase transformations was proposed 50 years ago
2
,
3
. The underlying assumption was that multiple stable and metastable states exist for different GB orientations
4
–
6
. The terminology ‘complexion’ was recently proposed to distinguish between interfacial states that differ in any equilibrium thermodynamic property
7
. Different types of complexion and transitions between complexions have been characterized, mostly in binary or multicomponent systems
8
–
19
. Simulations have provided insight into the phase behaviour of interfaces and shown that GB transitions can occur in many material systems
20
–
24
. However, the direct experimental observation and transformation kinetics of GBs in an elemental metal have remained elusive. Here we demonstrate atomic-scale GB phase coexistence and transformations at symmetric and asymmetric
[
11
1
¯
]
tilt GBs in elemental copper. Atomic-resolution imaging reveals the coexistence of two different structures at Σ19b GBs (where Σ19 is the density of coincident sites and b is a GB variant), in agreement with evolutionary GB structure search and clustering analysis
21
,
25
,
26
. We also use finite-temperature molecular dynamics simulations to explore the coexistence and transformation kinetics of these GB phases. Our results demonstrate how GB phases can be kinetically trapped, enabling atomic-scale room-temperature observations. Our work paves the way for atomic-scale in situ studies of metallic GB phase transformations, which were previously detected only indirectly
9
,
15
,
27
–
29
, through their influence on abnormal grain growth, non-Arrhenius-type diffusion or liquid metal embrittlement.
Atomic-resolution observations combined with simulations show that grain boundaries within elemental copper undergo temperature-induced solid-state phase transformation to different structures; grain boundary phases can also coexist and are kinetically trapped structures.
Publisher
Nature Publishing Group UK,Nature Publishing Group
