Fullerene structure modification to enhance the adsorption efficiency of toxic gases (H2S, CO, NO2): Molecular dynamic and quantum models Mustafa M. Kadhim, Anees A. Khadom, Talib Zeedan Al-Mosawi, Waleed Khalid Al-Azzawi, Ahmed A. Al-Amiery Materials Chemistry and Physics, 2025 The research discusses the improvement of the adsorption capacity of fullerene (C60) for toxic gases such as nitrogen dioxide (NO 2 ), carbon monoxide (CO), and hydrogen disulfide (H 2 S) via structural modifications using functional groups such as –OH and –NH 2 (C 60 H 10 N2O 2 ). The effect of these modifications on the adsorption capacity of fullerenes for gases was studied using quantum theory (DFT) and molecular dynamics (MD) models using Gaussian 16 and COMPASSIII domain. The results showed that the modified fullerenes (C 60 H 10 N2O 2 ) recorded higher adsorption energies compared to the pure fullerenes. For example, nitrogen dioxide (NO 2 ) recorded an adsorption energy of −257.12 kcal/mol on the modified fullerenes, compared to −73.44 kcal/mol for the pure fullerenes. NO 2 also recorded the highest average heat of adsorption (53.61 kcal/mol) compared to SO 2 (25.09 kcal/mol) and H 2 S (10.18 kcal/mol). The effects on the electronic and structural properties were analyzed, and the results showed that the modifications reduced the energy gap (HOMO-LUMO) from 3.09 eV in pure fullerene to 2.21 eV in modified fullerene, reflecting an increase in chemical reactivity and polarity. The modifications also showed an increase in chemical reactivity by increasing the charge distribution and increasing the interaction with toxic gases, which enhances the effectiveness of modified fullerene in environmental and air purification applications.
Atomistic simulations for electronic structure, mechanical stability and optical responses of sodium-based NaAH3 (A= Sc, Ti and V) metal hydride perovskites for hydrogen storage applications Mubashar Ali, Muhammad Raheel, Zunaira Bibi, Maher Ali Rusho, Dilbar Khan, Waleed Al-Azzawi, Razan A. Alshgari International Journal of Hydrogen Energy, 2025 Hydrogen storage serves a vital role in the advancement of hydrogen-based energy production for commercial use. Solid-state hydrogen storage has garnered significant interest and requires thorough investigation. This study involved the first-principles investigations to explore the phase stability, optoelectronic responses and hydrogen storage potential of Na-based metal perovskites NaAH 3 (A = Sc, Ti, V). The main scope of this study is to evaluate the possible applicability of metal perovskites NaAH 3 (A = Sc, Ti, V) hydrides for solid-state hydrogen storage. Initially, we assess the structural stability of NaAH 3 metal hydrides through calculations of formation enthalpies and phonon dispersion curves . The mechanical stability is assessed through elastic stiffness constants, indicating that NaAH 3 metal hydrides exhibit mechanical stability by satisfying the Born stability criteria. Calculations of the electronic band structure reveal that all NaAH 3 hydrides exhibit metallic properties. Further, we also investigated the optical responses of NaAH 3 hydrides in detail. The gravimetric hydrogen storage capacities of NaScH 3 , NaTiH 3, and NaVH 3 hydrides are 4.09, 3.93, and 3.78 wt%, respectively. Furthermore, we have estimated the volumetric hydrogen storage capacities (C V ) for all NaAH 3 (A = Sc, Ti, V) metal perovskite hydrides. The obtained C V values for NaAH 3 (A = Sc, Ti, V) are 78.99, 95.19, and 110.37 g H 2 l − 1 , respectively, meeting the US-DOE target established for 2025. In short, this study suggests that Na-based perovskite hydrides could serve as effective solid-state hydrogen storage materials .
Transforming Enterprise Financial Management with Blockchain-Driven Computational Innovations Waleed Al-Azzawi, Jasim Mohammed Rajaa, Ali Ali Saber Mohammed, Mustafa Zuhaer Nayef Al-Dabagh, Nema H. Hameed 2025 International Conference on Computational Innovations and Engineering Sustainability Iccies 2025, 2025 ERP systems help businesses manage their operations, manufacturing, inventory, and product quality, ensuring that everything runs smoothly in today's fast-paced environment. With integrated ERP systems, you can easily keep an eye on budget predictions, vendor payments, payroll processing, and production costs, which encompass raw materials, labor, and transportation. This study explores innovative organizational models for the Accounting Management (AM) department that incorporate blockchain technology (BT) within ERP systems. The results highlight how blockchain can enhance security, safeguard organizations against external threats, and facilitate complex ERP-BT accounting systems for bitcoin transactions. This study looks into the risks associated with virtual currency and explores how blockchain and cloud storage could help navigate regulatory challenges while ensuring dependable data collection. The way businesses use cryptocurrency is evolving, as revenue timelines and risk assessments shape their choices. ERP-BT systems have outperformed traditional methods in several key areas: risk management at 96.8%, accuracy at 92.11%, customer satisfaction at 95%, inventory management at 92%, productivity at 94%, and cost-effectiveness at 97%. This illustrates how ERP solutions powered by blockchain can enhance creativity and efficiency within a company.
Techniques based on artificial intelligence Motion Control for Unmanned Ground Vehicles Waleed Al-Azzawi, Jasim Ahmede Jasim, Aaied Eqab Muraay Majed, Mustafa Zuhaer Nayef Al-Dabagh, Mina Ismail Mahmoud 2025 International Conference on Computational Innovations and Engineering Sustainability Iccies 2025, 2025 The sensing capabilities and navigational capabilities of unmanned vehicles make them capable of remote or autonomous operation. In many environments, including natural, industrial, and mining areas, autonomous wheeled vehicles may enhance mapping, scene perception, and scene change. Autonomous, high-tech sensing, mapping, and inspection have been made possible by these vehicles. The use of mobile manipulators enables adaptive sensing and the manipulation of objects. The use of UAVs isn't completely problem-free. The list of drawbacks is long and includes drone accidents and injuries, more urban noise, less privacy, and more environmental waste due to new battery technology and upgradeable components. Problems with automated systems often arise while trying to manage unmanned ground vehicles (UGVs). When solving problems, intelligent controllers (ICs) use a number of different methods, such as boolean algebra, probabilistic probability, deep learning, supervised learning, optimization programming, simulated annealing, and machine learning. Research is based on the premise that UGV-IC enhances UGV control of motion. The goal of intelligent control is to augment and expand traditional control methods so that they can better handle complex and new control situations. The computational complexity problem must be solved for complex system regulation to be efficient. Intelligent controls are able to analyze data and determine when to exert or release control. The concept of pessimism is relatively new. Some applications may be to blame for annoying notifications like a low battery. Finding a solution to an issue may be assisted by an AI planning system. To achieve their desired behavior, dynamic systems, similar to control systems, rely on controller input. The proposed UGV-IC model outperforms the state-of-the-art alternatives, with a performance level of 98.5% and 95.8%, respectively.
Handling irregular and complex geometries C. B. Sivaparthipan, WaleedKhalid Al-Azzawi Coding Dimensions and the Power of Finite Element Volume and Difference Methods, 2024
Predicting Cyber Attacks on Integrated Energy and Gasoline Resources Jasim Ahmede Jasim, Aaied Eqab Muraay Majed, Mina Ismail Mahmoud, Waleed Al-Azzawi, Mustafa Zuhaer Nayef Al-Dabagh 2nd International Conference on Emerging Research in Computational Science Icercs 2024, 2024
Hybrid Deep Learning Enabled Load Prediction for Energy Storage Systems Firas Abedi, Hayder M. A. Ghanimi, Mohammed A. M. Sadeeq, Ahmed Alkhayyat, Zahraa H. Kareem, Sarmad Nozad Mahmood, Ali Hashim Abbas, Ali S. Abosinnee, Waleed Khaild Al-Azzawi, Mustafa Musa Jaber, Mohammed Dauwed Computers Materials and Continua, 2023
Severity Based Light-Weight Encryption Model for Secure Medical Information System Firas Abedi, Subhi R.M. Zeebaree, Zainab Salih Ageed, Hayder M.A. Ghanimi, Ahmed Alkhayyat, Mohammed A.M. Sadeeq, Sarmad Nozad Mahmood, Ali S. Abosinnee, Zahraa H. Kareem, Ali Hashim Abbas, Waleed Khaild Al-Azzawi, Mustafa Musa Jaber, Mohammed Dauwed Computers Materials and Continua, 2023
Comparison of Feature Selection Approaches for Breast Cancer Diagnosis using Supervised Machine Learning Algorithms International Middle Eastern Simulation and Modelling Conference 2022 Mesm 2022, 2022
Classification of Lung Cancer by Using Machine Learning Algorithms Joman Al-Tawalbeh, Baraa Alshargawi, Hiam Alquran, Waleed Al-Azzawi, Wan Azani Mustafa, Ahmed Alkhayyat Iiceta 2022 5th International Conference on Engineering Technology and Its Applications, 2022
Radio-Friendly Building for Efficient Signal Distribution Suherman, Fahmi, Waleed Al-Azzawi, Marwan Al-Akaidi, Emerson P. Sinulingga, Naemah Mubarakah 2018 IEEE International Conference on Communication Networks and Satellite Comnetsat 2018 Proceedings, 2018
Simulation methods for delays and packets dropout avoidance in solar-power wireless network 12th Middle Eastern Simulation and Modelling Multiconference Mesm 2011 2nd Gameon Arabia Conference Gameon Arabia 2011, 2011
Modelling and simulation of solar wireless network control system based on robust model predictive controller 11th Middle Eastern Simulation Multiconference Mesm 2010 1st Gameon Arabia Conference Gameon Arabia 2010, 2010
