期刊
PHYSICAL REVIEW LETTERS
卷 93, 期 15, 页码 -出版社
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.93.156101
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We present a combined experimental and theoretical analysis of the structure of finite-sized Sigma3 {112} grain boundaries in Au. High-resolution electron microscopy shows lattice translations at the grain boundary, with the magnitude of the translation varying along the finite-sized grain boundaries. The presence of this structural profile is explained using continuum elasticity theory and first-principles calculations as originating from a competition between elastic energy and the energy cost of forming continuous {111} planes across the boundary. This competition leads to a structural transition between offset-free and nontrivial grain boundary structures at a critical grain boundary size, in agreement with the experiments. We also provide a method to estimate the energy barrier of the gamma surface.
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