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- Title
THEORETICAL CHEMICAL APPROACH OF HARDNESS. 1 APPLICATION TO HOMODESMIC STRUCTURES.
- Authors
VOLCEANOV, ADRIAN; VOLCEANOV, ENIKO; CONSTANTINESCU, ALEXANDRU; SEMENESCU, AUGUSTIN
- Abstract
Hardness is an important mechanical property of materials. It is defined as the resistance of a material to localized deformation. The ionicity of chemical bond plays a significant role in mechanical properties such as hardness, bulk modulus. Recent studies have shown that hardness, a complex property, can be calculated using very simple approaches or even analytical formulae. In these models, the theoretical hardness is described as a function of the bond density and bond strength. The bond strength may be characterized by energy gap, reference potential, electron-holding energy or Gibbs free energy, and different expressions of bond strength may lead to different hardness models. The chemical bond parameters and hardness values of crystals had been calculated based on our own model of ionicity derived from the dielectric theory of the chemical bondings. Part 1 of the paper deals with the correlation between bond length, unit cell parameters, ionicity, and hardness for some homodesmic inorganic compounds. The results of computation and comparison with experimental data are performed.
- Subjects
HARDNESS; CHEMICAL bonds; BOND strengths; CRYSTALS; DIELECTRICS
- Publication
Romanian Journal of Materials / Revista Romana de Materiale, 2017, Vol 47, Issue 3, p298
- ISSN
1583-3186
- Publication type
Article