Toward the Ultra-incompressible Carbon Materials. Computational Simulation and Experimental Observation

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...

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Published inThe journal of physical chemistry letters Vol. 6; no. 11; pp. 2147 - 2152
Main Authors Kvashnina, Yu. A, Kvashnin, A. G, Popov, M. Yu, Kulnitskiy, B. A, Perezhogin, I. A, Tyukalova, E. V, Chernozatonskii, L. A, Sorokin, P. B, Blank, V. D
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 04.06.2015
Subjects
Carbon - chemistry
Computer Simulation
Polymers - chemistry
bulk modulus
tisnumit
elastic stiffness
polymerized fullerite
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ISSN1948-7185
1948-7185
DOI10.1021/acs.jpclett.5b00748

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Summary: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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ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.5b00748