Journal of Superhard Materials

, Volume 32, Issue 3, pp 143–147

Towards the theory of hardness of materials

  • A. R. Oganov
  • A. O. Lyakhov
Theory of Hardness and Superhard Materials Production, Structure, Properties

DOI: 10.3103/S1063457610030019

Cite this article as:
Oganov, A.R. & Lyakhov, A.O. J. Superhard Mater. (2010) 32: 143. doi:10.3103/S1063457610030019


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).

Key words

evolutionary prediction of crystal structureTiO2-cotunniteSiO2 polymorphscomputational design of superhard materials

Copyright information

© Allerton Press, Inc. 2010

Authors and Affiliations

  • A. R. Oganov
    • 1
    • 2
  • A. O. Lyakhov
    • 1
  1. 1.Department of Geosciences, Department of Physics and Astronomy, and New York Center for Computational SciencesStony Brook UniversityStony Brook, New YorkUSA
  2. 2.Geology DepartmentMoscow State UniversityMoscowRussia