by Institution Author "Al-Douri, Yarub"
Now showing items 1-10 of 10
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Adsorption of 2-4-6.trichlorophenol on montmorillonite surface: ONIOM study
Taqiyeddine, Badji; Ameri M.; Bouzouira N.; Ameri I.; Blaha L.F.; Al-Douri Y.; Bouhemadou A.; Al-Samarai, Riyadh A.; Alias, Mayson F.A. (Elsevier B.V., 2024)The wastewater contains several chemicals, organic and inorganic molecules, among themolecules, 2.4.6-trichlorophenol, which is a source of contamination. The main aim of this work is to distinguish the process of ... -
A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties
Al-Essa, Sumayah; Essaoud, Saber Saad; Bouhemadou,Abdelmadjid; Ketfi, Mohammed Elamin; Bin-Omran, Saad; Chik, Abdullah; Radjai, Missoum; Allali, Djamel; Khenata, Rabah; Al-Douri, Yarub (Springer, 2024)A comprehensive examination of the crystal structure, as well as elastic and thermal properties, of the recently created Zintl phase CsGaSb2 has been carried out using ab initio density functional theory pseudo-potential ... -
Computational investigation of the structural, elastic, electronic, and thermodynamic properties of chloroperovskites GaXCl3 (X = Be, Ca, or Sr) using DFT framework
Radjai, Missoum; Saad Essaoud, Saber; Bouhemadou, Abdelmadjid; Allali, Djamel; Bedjaoui, Abdelhak; Bin-Omran, Saad; Khenata, Rabah; Al-Douri, Yarub (Institute of Physics, 2024)In this study, we employed the pseudopotential plane wave approach to examine the influence of the X atom (X = Be, Ca, or Sr) on the physical properties of isostructural chloroperovskites GaXCl3. The GGA-PBEsol functional ... -
The effect of surface roughness parameters on frictional properties of AlSi10Mg alloy
Al-Samarai, Riyadh A.; Obaid, Abdulsalam Y.; Al-Douri Y. (Universidad Nacional Autonoma de Mexico, 2024)Experimental study of the effects of surface roughness parameters and their relationship to the coefficient of friction (COF) on AlSi10Mg alloy. The information demonstrates that the average surface roughness (Ra) directly ... -
Elastic, mechanical and thermodynamic properties of technetium-based perovskites XTcO3 (X = K, Rb) compounds
Nouri, Toufik; Khelfaoui, Friha; Amara, Kadda; Bouhemadou, Abdelmadjid; Belkharroubi, Fadila; Al-Douri Y. (Elsevier B.V., 2024)Ab-initio calculations are employed to determine the structural, mechanical, elastic, electronic and thermodynamic properties of perovskite oxides XTcO3 (X = K, Rb). From the computed structural properties, KTcO3 and RbTcO3 ... -
First-principles calculations to investigate structural, electronic, piezoelectric and optical properties of Sc-Doped GaN
Bendahah, Abla; Bensaid, Djillali; Yhaia, Azzaz; Khadidja, Mokadem; Noureddine, Moulay; Bendouma, Doumi; Al-Douri, Yarub (Springer Nature, 2024)Ab-initio calculations are performed to understand the effect of Sc incorporated into Wurtzite gallium nitride (GaN) on the optical properties to give a systematic idea of the spontaneous polarization Ps in Sc0.5Ga0.5N. ... -
A first-principles investigation of structural, mechanical, electronic and magnetic properties of CsMgO3 perovskite
Nouri, Toufik; Khelfaoui, Friha; Amara, Kadda; Belkharroubi, Fadila; Al-Douri, Yarub; Abu Odeh, Ali; Al-Samarai, Riyadh A. (Elsevier B.V., 2024)Using density functional theory (DFT) with the generalized gradient approximation (GGA), we have performed a comprehensive investigation of the structural, elastic, electronic, and magnetic properties of CsMgO3 perovskite. ... -
A first-principles investigation on the structural, electronic and optical characteristics of tetragonal compounds XAgO (X = Li, Na, K, Rb)
Allali, Djamel; Abdelmadjid, Bouhemadou; Saber, Saad Essaoud; Bahri, Deghfel; Zerarga, Fares; Amari, Rabie; Radjai, Missoum; Bin-Omran, Saad; Rabah, Khenata; Al-Douri, Yarub (Elsevier B.V., 2024)First-principles calculations employing the density functional theory full-potential (linearized) augmented plane-wave plus local orbitals (FP-(L)/APW + lo) method were conducted to investigate the structural, electronic ... -
Friction and Wear in Metals
Al-Samarai, Riyadh A.; Al-Douri, Yarub (Springer Nature, 2024)This book focuses on tribology in manufacturing processes from the viewpoint of sliding friction fundamentals, the use of lubricants to control friction processes such as machining, drawing, rolling, extrusion, abrasive ... -
High ZT of new half-Heusler LiXZ (X=La, Y and Z=Ge, Si) alloys at room temperature
Missoum, Hamid; Talbi, Khedija; Khelfaoui, Friha; Bouhadef, Bachir; Mi, Ali; Cherchab, Youcef; González-Hernández, Rafael; Al-Douri Y. (Elsevier Ltd., 2024)The thermoelectric, electronic and structural properties of novel half- Heusler (HH) LiXZ (X = La, Y; Z = Ge, Si) alloys are researched using the full-potential linearized augmented plane wave (FP-LAPW) method and ...
