2017/05/22 by Doaa Taha, Simiso K. Mkhonta, S. K. Mkhonta +2 · 1 citation
Earth and Planetary Sciences · Materials Science · Mathematics · Physics and Astronomy · #Binary number #Condensed matter physics #Geology #Grain boundary #Inversion (geology) #Materials science #Mathematics #Microstructure #Microstructure and mechanical properties #Physics #Solidification and crystal growth phenomena #Statistical physics #cond-mat.mtrl-sci #nanoparticles nucleation surface interactions
paper · pdf · doi:10.1103/physrevlett.118.255501
published as Phys. Rev. Lett. 118, 255501 (2017) · 5 pages, 4 figures, 1 supplemental material
arxiv created 2017/05/22 · openalex publication_date 2017/06/20 · arxiv updated 2017/06/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06
Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here grain boundary structures, energies, and dynamics of binary two-dimensional materials are investigated through the development of a phase field crystal model that is parametrized to match the ordering, symmetry, energy, and length scales of hexagonal boron nitride. Our studies reveal some new dislocation core structures for various symmetrically and asymmetrically tilted grain boundaries, in addition to those obtained in previous experiments and first-principles calculations. We also identify a defect-mediated growth dynamics for inversion domains governed by the collective atomic migration and defect core transformation at grain boundaries and junctions, a process that is related to inversion symmetry breaking in binary lattice.