Mathematical modeling of point defects in materials science

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Abstract

We survey some recent mathematical works we have contributed to that are related to the modeling of defects in materials science at different scales. We emphasize the similarities (need of a reference, often periodic system; renormalization procedure; etc.) shared by models arising in different contexts. Our illustrative examples are taken from electronic structure models, atomistic models, homogenization problems. The exposition is pedagogic and deliberately kept elementary. Both theoretical and numerical aspects are addressed.

Original languageEnglish
Pages (from-to)1795-1859
Number of pages65
JournalMathematical Models and Methods in Applied Sciences
Volume23
Issue number10
DOIs
Publication statusPublished - 1 Sept 2013

Keywords

  • Modeling of defects
  • atomistic models
  • electronic structure models
  • homogenization theory
  • materials science
  • multiscale science
  • periodicity
  • renormalization

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