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Stability and Dynamics of Boron Nitride Nanoscrolls

Published online by Cambridge University Press:  07 March 2011

Eric Perim  and
Douglas S. Galvao
Eric Perim*
Affiliation:
Applied Physics Department, State University of Campinas, 13083-459 Campinas, Sao Paulo, Brazil
Douglas S. Galvao
Affiliation:
Applied Physics Department, State University of Campinas, 13083-459 Campinas, Sao Paulo, Brazil
*
*corresponding author: [email protected]
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Abstract

We report here molecular dynamics results for boron nitride nanoscroll structures (BNNSs) with relation to their stability and formation mechanisms. We show that, similarly to carbon nanoscrolls, BNNSs are stable due to van der Waals interactions among overlapping layers. The energy balance between losses and gains (due to elastic deformations and van der Waals interactions, respectively) when the structure is rolled up leads to the existence of a critical value of the internal scroll diameter where stable or metastable structures can be formed. The mechanisms of scroll formation and stability as a function of their chirality were also investigated.

Keywords

nanostructuresimulationB
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1307: Symposium CC – Boron and Boron Compounds—From Fundamentals to Applications , 2011 , mrsf10-1307-cc05-04
Copyright
Copyright © Materials Research Society 2011

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