Simulations of amorphous Si-C and Si-B-C were carried out in order to investigate the diffusion behavior and to analyze the effect of adding B upon the thermal stability and creep resistance at high temperatures. A universal force field was used to describe atomic interactions in the systems at 300, 773, 1273, 1773 and 2073K. Upon adding B to amorphous Si-B-C, the self-diffusion constants of constituent atoms decreased at a given temperature, and increased with temperatures in both amorphous systems. The results showed that self-diffusion of B tended to increase up to 2073K.

Diffusion Behavior in Amorphous Si-B-C System by Molecular Dynamics Simulation. Ye, Y.J., Zhang, L.T., Cheng, L.F., Xu, Y.D.:  Journal of Inorganic Materials, 2006, 21[4], 843-7