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Lattice ground states for embedded-atom models in 2D and 3D

Authors: Bétermin, Laurent; Friedrich, Manuel; Stefanelli, Ulisse;

Lattice ground states for embedded-atom models in 2D and 3D

Abstract

AbstractThe 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.

Country
Austria
Keywords

103019 Mathematical physics, FCC METALS, FOS: Physical sciences, 101002 Analysis, interaction potential, Mathematical Physics (math-ph), Molecular, statistical, and kinetic theories in solid mechanics, Lattice energy minimization, Epstein zeta function, lattice energy minimization, embedded-atom two-body model, Energy minimization in equilibrium problems in solid mechanics, 103019 Mathematische Physik, Embedded-atom model, CRYSTALLIZATION, 70G75, 74G65, 74N05, Mathematical Physics

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
5
Top 10%
Average
Top 10%
Green
hybrid