B. Omalley et al., REVERSE MONTE-CARLO ANALYSIS OF THE STRUCTURE OF GLASSY-CARBON USING ELECTRON-MICROSCOPY DATA, Physical review. B, Condensed matter, 57(22), 1998, pp. 14148-14157
The reverse Monte Carlo (RMC) method was utilized in order to obtain t
hree-dimensional atom configurations in glassy carbon using measuremen
ts of the static structure provided by electron diffraction. This allo
wed the local and medium-range order in glassy carbon formed at heat-t
reatment temperatures of 1000 and 2500 degrees C to be analyzed in det
ail. In particular, the nature of the graphitelike bonding within the
glassy-carbon structure was investigated as well as the form of disord
er that gives rise to the particular features of its static structure
factor. The configurations produced by the RMC method consisted of ran
domly stacked graphitic basal planes possessing a buckled nature. It w
as found that significant nongraphitic regions exist in glassy carbon
including the presence of three- and five-membered rings. These disord
ered regions decrease in extent as the heat-treatment temperature incr
eases.