Face-centered cubic crystallization of atomistic configurations
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Publication:495903
DOI10.1007/S00205-015-0862-1zbMATH Open1335.82006arXiv1407.0692OpenAlexW2029545793MaRDI QIDQ495903FDOQ495903
Authors: Lisa C. Flatley, Florian Theil 
Publication date: 15 September 2015
Published in: Archive for Rational Mechanics and Analysis (Search for Journal in Brave)
Abstract: We address the question of whether three-dimensional crystals are minimizers of classical many-body energies. This problem is of conceptual relevance as it presents a significant milestone towards understanding, on the atomistic level, phenomena such as melting or plastic behavior. We characterize a set of rotation- and translation-invariant two- and three-body energies such that the energy minimum per particle over all n-particle configurations converges to the energy per particle in the face-centered cubic (fcc) lattice as tends to infinity. The proof involves a careful analysis of the symmetry properties of the fcc lattice.
Full work available at URL: https://arxiv.org/abs/1407.0692
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Atomic physics (81V45) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Statistical mechanics of crystals (82D25)
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Cited In (44)
- Local optimality of cubic lattices for interaction energies
- Crystallization in the hexagonal lattice for ionic dimers
- Interface dynamics of a metastable mass-conserving spatially extended diffusion
- Packing twelve spherical caps to maximize tangencies
- Minimizing lattice structures for Morse potential energy in two and three dimensions
- Face-centered cubic crystallization of atomistic configurations
- Crystallization in carbon nanostructures
- Dynamics of texture evolution in face-centered cubic polycrystals
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- Materials from mathematics
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