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Effect of Periodic Arrays of Defects on Lattice Energy Minimizers
We consider interaction energies [Formula: see text] between a point [Formula: see text] , [Formula: see text] , and a lattice L containing O, where the interaction potential f is assumed to be radially symmetric and decaying sufficiently fast at infinity. We investigate the conservation of optimali...
Autor principal: | |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8550119/ https://www.ncbi.nlm.nih.gov/pubmed/34720697 http://dx.doi.org/10.1007/s00023-021-01045-0 |
Sumario: | We consider interaction energies [Formula: see text] between a point [Formula: see text] , [Formula: see text] , and a lattice L containing O, where the interaction potential f is assumed to be radially symmetric and decaying sufficiently fast at infinity. We investigate the conservation of optimality results for [Formula: see text] when integer sublattices kL are removed (periodic arrays of vacancies) or substituted (periodic arrays of substitutional defects). We consider separately the non-shifted ([Formula: see text] ) and shifted ([Formula: see text] ) cases and we derive several general conditions ensuring the (non-)optimality of a universal optimizer among lattices for the new energy including defects. Furthermore, in the case of inverse power laws and Lennard-Jones-type potentials, we give necessary and sufficient conditions on non-shifted periodic vacancies or substitutional defects for the conservation of minimality results at fixed density. Different examples of applications are presented, including optimality results for the Kagome lattice and energy comparisons of certain ionic-like structures. |
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