Volume 39, Number 3, July I 1997
|Page(s)||269 - 274|
|Section||Condensed matter: structure, thermal and mechanical properties|
|Published online||01 September 2002|
Routes to carbon schwarzites from fullerene fragments
Istituto Nazionale per la Fisica della Materia and
Dipartimento di Scienza dei Materiali, Università degli
Studi di Milano - via Emanueli 15, I-20126 Milano, Italy
2 Istituto Nazionale per la Fisica della Materia and Dipartimento di Fisica, Università degli Studi di Milano - via Celoria 16, I-20133 Milano, Italy
Accepted: 26 June 1997
We investigated by tight-binding molecular dynamics the coalescence of fullerenic fragments and carbon clusters by following the evolution of the topological connectivity. Though different temperature variation protocols lead to irregular structures, their connectivity is found to stabilize at values corresponding either to three-branched schwarzites or tubulenes, indicating that long-time evolution at constant connectivity is potentially able to yield regular shapes. These results can be related to experiments on laser-induced transformations of fullerite occasionally yielding branched structures with a schwarzite shape.
PACS: 61.48.+c – Fullerenes and fullerene-related materials / 81.05.Tp – Fullerenes and related materials; diamonds, graphite / 81.05.Zx – New materials: theory, design, and fabrication
© EDP Sciences, 1997
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