Toward the Ultra-incompressible Carbon Materials. Computational Simulation and Experimental Observation
YA Kvashnina and AG Kvashnin and MY Popov and BA Kulnitskiy and IA Perezhogin and EV Tyukalova and LA Chernozatonskii and PB Sorokin and VD Blank, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6, 2147-2152 (2015).
The common opinion that diamond is the stiffest material is disproved by a number of experimental studies where the fabrication of carbon materials based on polymerized fullerenes with outstanding mechanical stiffness was reported. Here we investigated the nature of this unusual effect. We present a model constituted of compressed polymerized fullerite clusters implemented in a diamond matrix with bulk modulus B-0 much higher than that of diamond. The calculated B-0 value depends on the sizes of both fullerite grain and diamond environment and shows close correspondence with measured data. Additionally, we provide results of experimental study of atomic structure and mechanical properties of ultrahard carbon material supported the presented model.
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