Lattice ground states for Embedded-Atom Models in 2D and 3D

Abstract

The Embedded-Atom Model (EAM) provides a phenomenological description of atomic arrangements in metallic systems. It consists of a configurational energy depending on atomic positions and featuring the interplay of two-body atomic interactions and nonlocal effects due to the corresponding electronic clouds. The purpose of this paper is to mathematically investigate the minimization of the EAM energy among lattices in two and three dimensions. We present a suite of analytical and numerical results under different reference choices for the underlying interaction potentials. In particular, Gaussian, inverse-power, and Lennard-Jones-type interactions are addressed.

arXiv comment24 pages. 13 figures

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Cited by in corpus (2)

• On energy ground states among crystal lattice structures with prescribed bonds
• Three-dimensional lattice ground states for Riesz and Lennard-Jones type energies