English

Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers

Materials Science 2008-11-11 v1

Abstract

We computed by a modified tight binding approximation, the total electronic energy of three different hybrid polymers: HSiO2H-SiO_2, CH3SiO2CH_3-SiO_2 and C6H5SiO2C_6H_5-SiO_2. We made the hypothesis that the structures of these polymers are amorphous. Computational results regarding the total electronic energy and experimental data \cite{ferchichi} on the toughness of these three hybrid polymers were compared. A good qualitative agreement was found between computations and experiments.

Keywords

Cite

@article{arxiv.0811.1487,
  title  = {Total electronic energy by tight binding approximation and experimental toughness of three different hybrid polymers},
  author = {N. Olivi-Tran and A. Ferchichi and S. Calas and P. Etienne},
  journal= {arXiv preprint arXiv:0811.1487},
  year   = {2008}
}

Comments

10 pages 2 tables 3 figures