Towards the theory of hardness of materials
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).
- Publication:
-
Journal of Superhard Materials
- Pub Date:
- June 2010
- DOI:
- 10.3103/S1063457610030019
- arXiv:
- arXiv:1009.5477
- Bibcode:
- 2010JSMat..32..143O
- Keywords:
-
- evolutionary prediction of crystal structure;
- TiO<SUB>2</SUB>-cotunnite;
- SiO<SUB>2</SUB> polymorphs;
- computational design of superhard materials;
- Condensed Matter - Materials Science
- E-Print:
- J. Superhard Mater. 32, 143-147 (2010)