期刊
JOURNAL OF SUPERHARD MATERIALS
卷 30, 期 6, 页码 368-378出版社
ALLERTON PRESS INC
DOI: 10.3103/S1063457608060026
关键词
hardness; compressibility; structure; thermodynamic properties; Gibbs free energy; diamond; cubic boron nitride
资金
- Agence Nationale de la Recherche (France) [ANR-05-BLAN-0141]
A strong correlation relationship has been established between the structure and specific Gibbs free energy of the substance atomization on the one hand, and the substance hardness and volume compressibility on the other. In the framework of the model proposed hardness is directly proportional to the specific Gibbs free energy per bond in isodesmic crystals. An application of a correction coefficient to the ionic component of chemical bonds allows one to evaluate the hardness of compounds having both the covalent (polar and nonpolar) and ion bonds. In the framework of the suggested approach we have been the first to correctly calculate the temperature dependence of the hardness by the example for diamond and cubic boron nitride.
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