Melting the fullerenes: A molecular dynamics study

Seong Gon Kim and David Tománek
Phys. Rev. Lett. 72, 2418 – Published 11 April 1994
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Abstract

We report a molecular dynamics simulation of melting and evaporation of the carbon fullerenes C20, C60, and C240. Several phases, among them a previously unknown ‘‘pretzel’’ phase with a three-dimensional structure of multiply connected carbon rings, can be identified above the high initial melting temperature T≊4000 K. At T104 K, a complete conversion of compact fullerenes to carbon chain fragments is driven by entropy.

  • Received 29 November 1993

DOI:https://doi.org/10.1103/PhysRevLett.72.2418

©1994 American Physical Society

Authors & Affiliations

Seong Gon Kim and David Tománek

  • Department of Physics and Astronomy and Center for Fundamental Materials Research, Michigan State University, East Lansing, Michigan 48824-1116

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Vol. 72, Iss. 15 — 11 April 1994

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