Molecular-dynamics simulation of atomic structure and physical properties of amorphous carbon films. Report 2

摘要

The molecular-dynamics method has been used to study mechanical properties of model amorphous carbon films as a function of the deposition energy. We have found that macrocharacteristics of carbon films are interrelated and at the deposition energies of about 40 eV attain the values typical of diamond-like structures. We have also studied energetic characteristics of model samples. Three-coordinated carbon atoms have lower energy than four-coordinated ones and, hence, they have a higher probability of being formed. When the coordination number z{sub}c is as great as about 3.31, an abrupt transition from graphite-like to diamond-like structures occurs. A possible prerequisite to this transition in the course of growth of amorphous carbon condensates is discussed.