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JOURNALS // Teplofizika vysokikh temperatur // Archive

TVT, 2007 Volume 45, Issue 3, Pages 363–369 (Mi tvt1020)

Thermophysical Properties of Materials

The melting of fullerites from small or large fullerenes

M. N. Magomedov

Institute of Geothermy Problems, Makhachkala

Abstract: The physical limits are studied theoretically for a mass of fullerenes which may be used to produce a stable crystal, i.e., fullerite. The dependence of the parameters of interfullerene interaction on the mass of fullerene $C_{nc}$ is used to study the evolution of the properties of fullerite as a result of variation of the number of carbon atoms $nc$ in fullerene $C_{nc}$. The dependences of the energy of activation process and surface energy are calculated for different values of temperature and pressure in the $15 \le nc \le 147$ range. It is demonstrated that fullerite becomes unstable at $nc < 20$, because small-sized light fullerenes cannot be localized due to weak Van der Waals forces. At the same time, fullerites with $nc \ge 110$ exhibit abnormally low values of surface energy; this must bring about the fragmentation of nanoclusters of hollow spherical $C_{nc}$ molecules of such a large size. Four empirical equations are used to estimate the dependence of the melting temperature of fullerite on $nc$. It is demonstrated that the melting temperature in the case of fullerites from small or large fullerenes is lower than that in the case of fullerites at $50 < nc < 90$. It is inferred that the $30 < nc < 100$ range is optimal for the formation of stable fullerite.

UDC: 536.4 + 539.196

PACS: 61.48.+c, 64.70.Dv

Received: 31.01.2006


 English version:
High Temperature, 2007, 45:3, 321–326

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