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 language | English |
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Article number | 107 |
Number of pages | 28 |
Journal | Letters in Mathematical Physics |
Volume | 111 |
Issue number | 4 |
DOIs | |
Publication status | Published - 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