80/13/6

Phu

Chuot

Abstract: In this paper we have investigated the 'native vacancy' and interstitial site for gas solubility in amorphous models SiO2, Al2O3 and FexB100-x using molecular dynamic and statistic relaxation techniques. We found a large number of native vacancies in models FexB100-x, the dominant contribution of them could interpret the correlation between pre- exponential factor and diffusion enthalpy for amorphous alloys. For models SiO 2 and Al2O3 the calculated number of accessible sites for He, Ne and Ar is of correct order of magnitude compared to experimental data . Furthermore, the position of the "first sharp diffraction peak" (FSDP) of silica glass determined on base of Elliott model is in good agreement with experiment , but the FSDP of Al2O3 system doesn't follow th at model.

 

Keywords: computer simulation, amorphous alloy, voids , vacancy, gas solubility

PACS numbers: 78.55.Qr, 61.43.Bn