A Study on Microstructural Parameters for the Characterization of Granular Porous Ceramics Using a Combination of Stochastic and Mechanical Modeling

To correlate the mechanical properties of granular porous materials with their microstructure, typically porosity is being considered as the dominant parameter. In this work, we suggest the average coordination number, i.e., the average number of connections that each grain of the porous material has to its neighboring grains, as additional — and possibly even more fundamental — microstructural parameter. In this work, a combination of stochastic and mechanical modeling is applied to study microstructural influences on the elastic properties of porous ceramics. This is accomplished by generating quasi-two-dimensional (2D) and fully three-dimensional (3D) representative volume elements (RVEs) with tailored microstructural features by a parametric stochastic microstructure model. In the next step, the elastic properties of the RVEs are characterized by finite element analysis. The results reveal that the average coordination number exhibits a very strong correlation with the Young’s modulus of the material in both 2D and 3D RVEs. Moreover, it is seen that quasi-2D RVEs with the same average coordination number, but largely different porosities, only differ very slightly in their elastic properties such that the correlation is almost unique. This finding is substantiated and discussed in terms of the load distribution in microstructures with different porosities and average coordination numbers.

Theoretical prediction of physical parameters of GexSb20−x Te80 (x = 11, 13, 15, 17, 19) bulk glassy alloys

Physical properties of GexSb20−x Te80 (x = 11, 13, 15, 17, 19) bulk glassy alloys are examined theoretically. Lone pair electrons are calculated using an average coordination number (〈r〉) and the number of valence electrons, and are found to decrease with an addition of Ge. Mean bond energy (〈E〉) is proportional to glass transition temperature (Tg) and shows maxima near the chemical threshold. Cohesive energy of the system is calculated using chemical bond approach. A linear relation is found between cohesive energy, band gap (calculated theoretically and confirmed experimentally) and average heat of atomization. All these parameters are increasing with an increase in Ge content. A relation between average single bond energy and photon energy is discussed. Compactness of the structure is measured from the calculated density of the glass. An attempt is made to discuss the results in terms of structure of the glass or equivalently with average coordination number.

Experimental study of the structure of chalcogenide glassy semiconductors in three-component systems of Ge-As-Se and As-Sb-Se by means of NQR and EPR spectroscopy

The structure of chalcogenide glassy semiconductors in three-component systems of Ge-As-Se and As-Sb-Se has been studied by means of both NQR (nuclear quadrupole resonance) and EPR (electron paramagnetic resonance) spectroscopy. It is investigated that in the glasses of both systems the value of the electric field gradient at the resonating nuclei grows with increasing concentration of the clusters As2Se3 and Sb2Se3, thereby increasing the NQR resonance frequencies. It appears that for the Ge-As-Se system the structural transition from a two-dimensional to three-dimensional structure occurs at average coordination number $\bar r$ = 2.45. The EPR spectral parameters of glasses depend on the composition, the average coordination number and the temperature, and these are discussed. The effect of ”ageing” for CGS (chalcogenide glassy semiconductors) of As-Sb-Se system due to partial crystallization of the sample is observed from the EPR spectra.

Novel Lattice Models for Porous Media

ABSTRACTNetwork models of porous media are beneficial for predicting evolution of macroscopic permeability. This work proposes novel models based on truncated octahedral support. Systems with different pore coordination spectra for a given average coordination number can be constructed to match experimental data. This feature, and the allowed pore coordination of 14, make the proposed models more realistic and flexible than existing models with cubic support. Experimental data for two sandstones with substantially different properties are used to demonstrate the models’ ability to predict permeability. A strategy for calculating its evolution with internal damage is also described and results are presented. Developments of this strategy are suggested for deriving mechanism-based constitutive laws for engineering applications.