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233 results on '"Khattari Z"'

43. Structural, optical, and radiation shielding properties of cyclosilicates crystals: Hirshfeld topological geometries.

Author

Al‐Omari, S., Afaneh, F., and Khattari, Z. Y.

Subjects
MASS attenuation coefficients, ATTENUATION coefficients, ELECTRON density, ELECTRON distribution, MINERAL properties
Abstract

This study explores the structural, radiation, and optical properties of cyclosilicates minerals (CMs), providing comprehensive analyses of molar volumes, densities, band gap values, and effective atomic numbers. The structural properties were found to be dependent on the correlations with the interatomic interactions derived from the analysis of Hirshfeld topological surfaces (HTSs) and their voids. In examining a broad energy spectrum from 0.015 to 15 MeV, the study focuses on mass attenuation coefficient (MAC) and linear mass attenuation coefficient (LAC). Results show that MAC values are the highest for the BaTi(SiO3)3 crystal, highlighting its superior γ‐ray attenuation capabilities among other CMs. The study finds that Hirshfeld volume, and surface ranged between 344.21 and 2640.98 Å3 and 388.91 and 1326.97 Å2, reveals distinct electron density distribution characteristics in CM materials. The study probes the impact of HTSs on structural (113 < Vm < 686 cm3/mol), optical (1.95 < n < 2.38), and radiation shielding (13.0 < LAC < 102.0 1/cm at E = 15.0 keV) values, demonstrating that altering the O...A (A = atom in the CM crystal) interactions align with the charge density, potentially tuning other physical values. [ABSTRACT FROM AUTHOR]

Published
2024
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49. Optical and Electrical Properties of SiO2 under Uniaxial, Biaxial, and Isotropic Pressure: a First Principles Study.

Author

Khattari, Z. Y., Al-Omari, S., and Afaneh, F.

Abstract

Understanding the behavior of SiO2 under different external conditions, particularly pressure, is essential for advancing its applications. While existing literature primarily focuses on the impact of isotropic stress on SiO2, there remains a gap in exploring the effects of uniaxial and biaxial stresses on its properties. This study aims to address this gap by investigating the novel effects of uniaxial, biaxial, and isotropic pressures on the opto-electrical properties of SiO2 using first principles calculations. Our results reveal distinct structural adaptations of SiO2 under different pressure conditions, demonstrating its anisotropic behavior. For example, under isotropic pressure in the interval [0.0, 12.5] GPa, the lattice parameters 5.039 < a < 4.615 Å, and 5.529 < c < 5.239 Å, and the unit cell volume ranged from 121.57 to 96.65 Å3 show reductions in values, indicating structural compression in accordance with the experimentally found values. Additionally, we investigated the electrical properties, including the complex dielectric function and conductivity. At an isotropic pressure of 0 GPa, the real refractive index of SiO2 is approximately n = 2.04083, which increases to n = 2.20836 at 12.5 GPa, while applying uniaxial or biaxial pressure resulted in direction-dependent-refractive index highlighting the crystal's anisotropic to external pressure. Also, our study revealed that the maximum values of conductivity increased while wavelength shift decreased as a function of the applied stress on the crystal. These findings provide valuable insights into the behavior of SiO2 single crystal under directional stresses, facilitating the design of pressure-sensitive optoelectronic devices. [ABSTRACT FROM AUTHOR]

Published
2024
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50. Physical, mechanical, and radiation shielding studies: effects of glass network and ion valance states of Ti3+ and Mo5+ on TiO2-doped lead molybdenum borate glasses.

Author

Alsaif, Norah A. M., Al-Omari, S., Al-Ghamdi, Hanan, Rammah, Y. S., and Khattari, Z. Y.

Subjects
MOLYBDENUM, BORATE glass, LEAD, MASS attenuation coefficients, RADIATION shielding, GIBBS' free energy, MOLE fraction
Abstract

Effects on mechanical and γ-ray shielding competence of TiO2-based glasses of chemical composition: 30PbO⋅4MoO3⋅(66 − z)B2O3⋅zTiO2 (0.0 < z < 2.0 mol%) was calculated in this report. The glass density was found to increase in the range of 4.650–4.696 g/cm3 concurrent with a decline in the oxygen molar volume (OMV) from 10.633 to10.547 cm3/mol when [Ti4+] molar fraction is increased in the glass samples. The Gibbs free energy was found to be between 20.874 and 22.586 kJ/cm3 and was found to be influenced by TiO2 concentration in these glasses and on the valance states of Ti3+ and Mo5+. The affinity of mass attenuation coefficient (MAC) values (0.039 < MAC < 6.198 g/cm3) in the examined photon energy domain 0.015 < E < 15.0 MeV has the following chronological sorting: MACT0 < MACT2 < MACT4 < MACT6 < MACT8 < MACT10 < MACT15 < MACT20. The half-value-layer (HVL) trend of Mo-glasses was balanced against two standard RS-glass systems and discovered to possess a less γ-ray shielding competence as RS-(360, 520) or concrete. Also, we found that when the [Ti3+]/[Mo5+] ratio exceeds 0.8 mol%, then both ions participate in the studied properties via de-polymerization of the glass network. These outcomes revealed that the safety effectiveness against radiation and physic-mechano-properties can be synchronized for diverse purposes. [ABSTRACT FROM AUTHOR]

Published
2024
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