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

Laurent Bétermin, Ulisse Stefanelli, Manuel Friedrich

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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.

Original languageEnglish
Article number107
Number of pages28
JournalLetters in Mathematical Physics
Volume111
Issue number4
DOIs
Publication statusPublished - Aug 2021

Austrian Fields of Science 2012

  • 101002 Analysis
  • 103019 Mathematical physics

Keywords

  • CRYSTALLIZATION
  • Embedded-atom model
  • Epstein zeta function
  • FCC METALS
  • Lattice energy minimization

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