Towards the theory of hardness of materials

A. R. Oganov, A. O. Lyakhov

Research output: Contribution to journalArticlepeer-review

64 Citations (Scopus)

Abstract

Recent studies have shown that hardness, a complex property, can be calculated using very simple approaches or even analytical formulae. These form the basis for evaluating controversial experimental results (as we illustrate for TiO2-cotunnite) and enable a systematic search for novel hard materials, for instance, using global optimization algorithms (as we show on the example of SiO2 polymorphs).

Original languageEnglish
Pages (from-to)143-147
Number of pages5
JournalJournal of Superhard Materials
Volume32
Issue number3
DOIs
Publication statusPublished - Jun 2010
Externally publishedYes

Keywords

  • computational design of superhard materials
  • evolutionary prediction of crystal structure
  • SiO polymorphs
  • TiO-cotunnite

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