Mechanics of C60 Fullerene in the Central Force Field Approximation

Abstract

With "Mathematica" we have developed a computer finite element model of mechanical behaviour for C60 fullerene molecule in the central force field approximation. The model has under gone virtual static tests with different loading pattern - axial compression by point force; uniform external pressure. Young modulus variation limits are determined as follows 0,29 TPa <E< 10,36 TPa, under the most realistic values of force constants in accordance with hypothetical wall "thickness" of fullerene and Poisson's ratio quantity. Evidence is given that the model shows low sensitivity to fluctuations of valence bond force constants and is much more sensitive to fluctuations of non-valent ones. Tree times changes of force constants change the results of the calculation elastic response of structure by ~16%-41%, in the former case and by ~88%-127% in the latter.

Keywords

• computer finite element model
• variation limits
• axial compression
• virtual static tests
• fluctuations of valence bond force