350 rub
Journal Science Intensive Technologies №7 for 2013 г.
Article in number:
Simulation diamond whiskers synthesis processes under soft conditions
Keywords: whiskers diamond soft conditions synthesis computer simulation tight-binding approximation carbon bonds hybridization
Authors:
A.P. Korzhavyi, B.M. Loginov, M.B. Loginova, K.V. Maramygin, I.V. Fedosee
Abstract:
The brief review of the literature data results on experimental and theoretical study of adsorption of carbon dioxide on the surface of d-metals has been done. The empirical model of diamond whiskers (DW) synthesis was developed. The model based on author-s experimental results, concerning with the features of DW synthesis due to destruction of carbonyl compounds of palladium, which were produced due to hydrochloric acid solution of dichloride palladium carbon monoxide processing. By computer simulation, in the semi-classical molecular dynamic tight-binding approximation (MDTB), an analysis of certain aspects of the DW synthesis has been carried out. The regularities of the formative pressure influence on the structural features of the synthesized crystals were determined. It was shown that MDSS methods can serve as the basis for an effective search of optimal synthesis conditions for ideal crystal-s structure.
Pages: 4-19
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