Thermodynamic stability of solid and fluid phases in the Si3B3N7 system |
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Authors: | A. Hannemann M. Jansen |
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Affiliation: | Max-Planck-Institut für Festk?rperforschung , Heisenbergstr. 1, D-70569, Stuttgart, Germany |
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Abstract: | We investigate the thermodynamic properties of the ceramic material Si3B3N7 which has so far only been synthesized as an amorphous compound. Using Monte Carlo simulations, we investigate the stability of both solid and fluid phases of Si3B3N7, in order to gain insights into the proper synthetic conditions needed to generate the stable amorphous and crystalline phases of this compound. We study the ternary liquid–gas region of the phase diagram at temperatures above the theoretical glass transition in this system, and construct an approximate ‘metastable’ phase diagram of Si3B3N7. In addition we study the stability of the amorphous and crystalline phases in the solid state against the decomposition into the binary phases h-BN and β-Si3N4 as a function of the size of the crystallites involved, and the stability of the melt against evolution of nitrogen as a function of nitrogen pressure. |
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Keywords: | phase diagrams computer simulations silicon boron nitride cluster distribution |
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