Understanding of the phase transformation from fullerite to amorphous carbon at the microscopic level

Details Understanding of the phase transformation from fullerite to amorphous carbon at the microscopic level Understanding of the phase transformation from fullerite to amorphous carbon at the microscopic level

2004-09-24

arxiv.org/abs/cond-mat/0409668v1

Phys. Rev. Lett. 94, 165503 (2005)

Physics

Condensed Matter

Materials Science

5 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.94.165503

We have studied the shock-induced phase transition from fullerite to a dense amorphous carbon phase by tight-binding molecular dynamics. For increasing hydrostatic pressures P, the C60-cages are found to polymerise at P<10 GPa, to break at P~40 GPa and to slowly collapse further at P>60 GPa. By contrast, in the presence of additional shear stresses, the cages are destroyed at much lower pressures (P<30 GPa). We explain this fact in terms of a continuum model, the snap-through instability of a spherical shell. Surprisingly, the relaxed high-density structures display no intermediate-range order.

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