Structure and properties of composites based chitosan and carbon nanostructures: atomistic and coarse-grained simulation

O. E. Glukhova; A. S. Kolesnikova; O. A. Grishina; M. M. Slepchenkov

doi:10.1117/12.2080359

24 March 2015 Structure and properties of composites based chitosan and carbon nanostructures: atomistic and coarse-grained simulation

O. E. Glukhova, A. S. Kolesnikova, O. A. Grishina, M. M. Slepchenkov

Author Affiliations +

Proceedings Volume 9339, Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications VII; 933911 (2015) https://doi.org/10.1117/12.2080359
Event: SPIE BiOS, 2015, San Francisco, California, United States

Abstract

At the present time actual task of the modern materials is the creation of biodegradable biocompatible composite materials possessing high strength properties for medical purposes. One of the most promising biomaterials from a position of creation on their basis super strong nanofibres is chitosan. The aim of this work is a theoretical study of the structural features and physico-mechanical properties of biocomposite materials based on chitosan and carbon nanostructures. As matrix nanocomposite we considered various carbon nano-objects, namely carbon nanotubes and graphene. Using the developed original software complex KVAZAR we built atomistic and coarse-grained models of the biocomposite material. To identify regularities of influence of the configuration of the carbon matrix on the mechanical and electronic properties of biocomposite we carried out a series of numerical experiments using a classical algorithm of molecular dynamics and semi-empirical methods. The obtained results allow us to suggest that the generated biocomposite based on chitosan and carbon nanostructures has high stability and strength characteristics. Such materials can be used in biomedicine as a base material for creating of artificial limbs.

Citation Download Citation

O. E. Glukhova, A. S. Kolesnikova, O. A. Grishina, and M. M. Slepchenkov "Structure and properties of composites based chitosan and carbon nanostructures: atomistic and coarse-grained simulation", Proc. SPIE 9339, Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications VII, 933911 (24 March 2015); https://doi.org/10.1117/12.2080359

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