Abstract. We show that the emerging field of discrete differential geometry can be usefully brought to bear on crystallization problems. In particular, we give a simplified proof of the Heitmann-Radin crystallization theorem [16], which concerns a system of N identical atoms in two dimensions interacting via the idealized pair potential V (r) = +∞ if r < 1, −1 if r = 1, 0 if r > 1. This is done by endowing the bond graph of a general particle configuration with a suitable notion of discrete curvature, and appealing to a discrete GaussBonnet theorem [18] which, as its continuous cousins, relates the sum/integral of the curvature to topological invariants. This leads to an exact geometric decomposition of the Heitmann-Radin energy into (i) a combinatorial bulk term, (ii) a combinatorial perimeter, (iii) a multiple of the Euler characteristic, and (iv) a natural topological energy contribution due to defects. An analogous exact geometric decomposition is also established for soft potentials such as the Lennard-Jones potential V (r) = r −6 − 2r −12 , where two additional contributions arise, (v) elastic energy and (vi) energy due to non-bonded interactions.
Abstract. We consider a variational model for two interacting species (or phases), subject to cross and self attractive forces. We show existence and several qualitative properties of minimizers. Depending on the strengths of the forces, different behaviors are possible: phase mixing or phase separation with nested or disjoint phases. In the case of Coulomb interaction forces, we characterize the ground state configurations.
We propose and analyze a generalized two dimensional XY model, whose interaction potential has n weighted wells, describing corresponding symmetries of the system. As the lattice spacing vanishes, we derive by Γ-convergence the discrete-to-continuum limit of this model. In the energy regime we deal with, the asymptotic ground states exhibit fractional vortices, connected by string defects. The Γ-limit takes into account both contributions, through a renormalized energy, depending on the configuration of fractional vortices, and a surface energy, proportional to the length of the strings.Our model describes in a simple way several topological singularities arising in Physics and Materials Science. Among them, disclinations and string defects in liquid crystals, fractional vortices and domain walls in micromagnetics, partial dislocations and stacking faults in crystal plasticity.
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