Towards the theory of hardness of materials
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- Oganov, A.R. & Lyakhov, A.O. J. Superhard Mater. (2010) 32: 143. doi:10.3103/S1063457610030019
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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).