https://hdl.handle.net/20.500.12960/33 2026-04-21T10:20:42Z 2026-04-21T10:20:42Z Turgut, Oğuz Emrah Genceli, Hadi Asker, Mustafa Baniasadi, Ehsan Çoban, Mustafa Turhan https://hdl.handle.net/20.500.12960/1813 2026-04-14T08:19:20Z 2025-01-01T00:00:00Z

Levy flight-assisted hybrid Sine-Cosine Aquila optimizer for solving chemical equilibrium problems through the Gibbs free energy minimization technique Turgut, Oğuz Emrah; Genceli, Hadi; Asker, Mustafa; Baniasadi, Ehsan; Çoban, Mustafa Turhan This research proposes a novel hybrid metaheuristic optimization framework that combines the Aquila Optimization algorithm with the Sine-Cosine Optimizer to find equilibrium points of reacting components under specified operational reaction conditions. The method aims to address the exploitative limitations of the standard Aquila algorithm by incorporating oscillatory sine-cosine movements into the hybrid optimizer, which is one of the significant drawbacks of the base Aquila algorithm that should be addressed. The effectiveness of the hybrid approach is thoroughly tested on a suite of 100 multidimensional unimodal and multimodal benchmark cases, with results compared to those from well-known literature optimizers. Additionally, twenty-eight 30-dimensional benchmark functions from the 2013 Congress on Evolutionary Computation competition are used to evaluate the prediction performance. Three multidimensional constrained engineering design problems are also solved, and their results are compared with those from other literature optimizers. The findings show that the hybrid algorithm produces the best estimates and ranks first among competing algorithms based on average ranking results. To further verify its robustness and accuracy, three more complex chemical equilibrium problems are solved using the Gibbs Free Energy minimization method. The predictions are benchmarked against recent metaheuristic algorithms for each case, demonstrating that the proposed hybrid effectively overcomes the challenges of highly nonlinear and non-convex free energy surfaces, achieving higher solution consistency while finding minimum objective function values across different chemical equilibrium scenarios.

2025-01-01T00:00:00Z Sidjilani, Fatima Belkharroubi, Fadila Al-Douri Y. Hamdache, Fatima Bahlouli, Samia Bendella, Sid Ahmed Sediki, Hayat Khelfaoui, Friha Dib, Anis Samy Amine Belkaid, Mohammed Noureddine Al-Samarai, Riyadh A. https://hdl.handle.net/20.500.12960/1793 2025-11-19T10:42:45Z

First-principles studies on structural, elastic, electronic, optical, thermodynamic and thermoelectric properties of RbScC and CsScC half-Heusler alloys Sidjilani, Fatima; Belkharroubi, Fadila; Al-Douri Y.; Hamdache, Fatima; Bahlouli, Samia; Bendella, Sid Ahmed; Sediki, Hayat; Khelfaoui, Friha; Dib, Anis Samy Amine; Belkaid, Mohammed Noureddine; Al-Samarai, Riyadh A. The semi-classical Boltzmann transport theory under the constant relaxation time approximation, combined with density functional theory (DFT) calculations performed using the WIEN2k code are utilized to investigate the elastic, structural, optoelectronic, and thermoelectric properties of XScC (X = Rb, Cs) half-Heusler alloys. Our study reveals that RbScC and CsScC half-Heusler alloys are both thermodynamically stable, as shown by their negative formation energies—an encouraging sign for their possible experimental realization. To gain deeper insight into their mechanical behavior, we have explored how their elastic constants respond to applied pressure from 0 to 25 GPa. The results show smooth, positive trend, indicating strong interatomic forces and robust mechanical stability under compression. Both RbScC and CsScC half-Heusler alloys are classified as semiconductors. RbScC has a direct X → X bandgap and CsScC displays an indirect Γ → X bandgap. Moreover, these systems exhibit semiconducting properties marked by a flat band next to the Fermi energy (EF), rendering them viable candidates for thermoelectric applications. The RbScC and CsScC alloys have minimal reflectivity and absorptivity in the ultraviolet spectrum and significant absorption in IR. Investigations are achieved on the Seebeck coefficient, figure of merit (ZT), power factor, electrical conductivity, and electronic thermal conductivity in relation to the temperature and chemical potential. RbScC and CsScC have a high power factor for p-type doping. At ambient temperature, it is found that high Seebeck coefficients are 245.36 µV/K for RbScC and 244.06 µV/K for CsScC, with a figure of merit nearing unity. Our results show that these alloys have the potential to be thermoelectric materials. Furthermore, the thermodynamic parameters of XScC (X = Rb, Cs) half-Heusler alloys at various pressures, 0–25 GPa and temperatures 0–900 K are determined by utilizing the quasi-harmonic Debye model.

Al-Douri, Asaad T. Salman, Safa salah Al-Doori, Maksood Adil Mahmoud Mahmood, Israa Adil Khalaf, Ahmed M. Ibrahim, Mustafa Khaleel Khalaf, Zina Edress El-Tekreti, Sama Amer Abbas Al-Douri, Yarub Ameri, Mohammed https://hdl.handle.net/20.500.12960/1790 2025-11-19T10:20:22Z

Nanostructured Magnesium Oxide for Swiss Mice Tissue Application: Synthesis, Characterization, and Analysis Al-Douri, Asaad T.; Salman, Safa salah; Al-Doori, Maksood Adil Mahmoud; Mahmood, Israa Adil; Khalaf, Ahmed M.; Ibrahim, Mustafa Khaleel; Khalaf, Zina Edress; El-Tekreti, Sama Amer Abbas; Al-Douri, Yarub; Ameri, Mohammed Rosemary extract produced nanoscale magnesium oxide (MgO) using a green synthesis methodology, specifically a chemical co-precipitation process. This work investigates the effects of nanoscale MgO on Swiss mice. Fourier transform infrared (FTIR) and scanning electron microscopy (SEM) are used to characterize the synthesized material. Nano-MgO is administered orally to mice, and then the liver and kidney tissues are examined histologically to evaluate its biological effects. The results demonstrated the remarkable biological activity of nanoscale MgO, revealing a clear inhibitory effect on these organs. According to the findings, nanoscale MgO may be useful and suitable for biomedical applications, especially for targeted inhibition in kidney and liver tissues without causing serious toxicity risks.

El Imene Bennoui, Radja Nour Adli, Walid Al-Douri, Yarub Belkharroubi, Fadila Sidjilani, Fatima Bentayeb, Abdelkader Khelfaoui, Friha Belmiloud, Nawal Bendella, Sid Ahmed Alagui, Lakhdar https://hdl.handle.net/20.500.12960/1783 2025-05-15T08:16:05Z 2025-01-01T00:00:00Z

Valence Electron Count-Based Density Functional Theory to Investigate Structural Stability, Optoelectronic and Thermoelectric Properties of New p-Type Half-Heusler Zryau (Y=B, Al) Alloys El Imene Bennoui, Radja Nour; Adli, Walid; Al-Douri, Yarub; Belkharroubi, Fadila; Sidjilani, Fatima; Bentayeb, Abdelkader; Khelfaoui, Friha; Belmiloud, Nawal; Bendella, Sid Ahmed; Alagui, Lakhdar The full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) and semi-classical Boltzmann transport theory under the constant relaxation time approximation has been employed to investigate the structural, mechanical, optoelectronic and thermoelectric properties of novel half-Heusler (HH) ZrYAu alloys (where Y=B or Al) with a valence electron count (VEC) of 8. Our results indicate that both compounds are mechanically stable in structure Type 1 and possess negative formation energies. Additionally, ZrBAu and ZrAlAu display semiconducting behavior, with ZrBAu showing a direct band gap, 0.753 eV (0.774 eV) at point Γ→X and ZrAlAu exhibiting an indirect band gap, 0.431 eV (0.482 eV) at point Γ→Γ, using the generalized gradient approximation (GGA) and Modified Becke and Johnson-generalized gradient approximation (mBJ-GGA), respectively. Based on optical properties, both ZrBAu and ZrAlAu exhibit high optical conductivity within the visible spectrum. In terms of visible light absorption, ZrBAu primarily absorbs blue light, while ZrAlAu absorbs yellow, blue-green and violet light. However, both compounds are effective absorbers of UV light. Regarding thermoelectric performance, the thermoelectric parameters reveal that ZrBAu and ZrAlAu demonstrate significant p-type thermoelectric power. These half-Heusler alloys have a high-power factor, making them promising candidates for thermoelectric applications.

2025-01-01T00:00:00Z