On the Crystallization of 2D Hexagonal Lattices |
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Authors: | Weinan E and Dong Li |
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Institution: | (1) Department of Mathematics and Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA;(2) School of Mathematics, Institute for Advanced Study, Einstein Drive, Princeton, NJ 08540, USA |
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Abstract: | It is a fundamental problem to understand why solids form crystals at zero temperature and how atomic interaction determines
the particular crystal structure that a material selects. In this paper we focus on the zero temperature case and consider
a class of atomic potentials V = V
2 + V
3, where V
2 is a pair potential of Lennard-Jones type and V
3 is a three-body potential of Stillinger-Weber type. For this class of potentials we prove that the ground state energy per
particle converges to a finite value as the number of particles tends to infinity. This value is given by the corresponding
value for a optimal hexagonal lattice, optimized with respect to the lattice spacing. Furthermore, under suitable periodic
or Dirichlet boundary condition, we show that the minimizers do form a hexagonal lattice.
Dedicated with admiration to Professor Tom Spencer on occasion of his 60th birthday |
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Keywords: | |
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