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Publication Metadata only Influence of graphene nanoplate size and heat flux on nanofluid heat exchanger performance: A molecular dynamics approach(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Yang, Zhongxiu; Basem, Ali; Jasim, Dheyaa J.; Singh, Narinderjit Singh Sawaran; Saeidlou, Salman; Al-Bahrani, Mohammed; Sajadi, S. Mohammad; Salahshour, Soheil; Hasanabad, Ali Mohammadi; Weifang University of Science & Technology; University of Warith Alanbiyaa; Al-Maarif University; INTI International University; Canterbury Christ Church University; Al-Mustaqbal University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityThis study aimed to enhance the thermal efficiency of nanofluid-based heat exchangers by exploring the simultaneous effects of external heat flux and graphene nanoplate sizes on thermal and structural characteristics. Effective heat transfer is a critical requirement for managing heat in microscale systems, where optimizing the thermal performance of nanofluids can improve device performance. Molecular dynamics simulations were carried out of a sinusoidal inner surface copper heat exchanger coated with silicon nanoparticles to demonstrate atomic-level interaction within the nanofluid. The significant findings showed that while an external rising heat flux decreased heat flux from 41.7 to 37.26 W/m2 and thermal conductivity of nanofluid from 14.53 to 13.80 W/ m & sdot,K, only an increase in viscosity from 0.32 to 0.49 mPa & sdot,s, the agglomeration time of nanoparticles decreased from 3.71 to 3.33 ns and friction coefficient from 0.022 to 0.015, could indicate a difference in particle behavior responding to the thermal stress. However, the size of the graphene nanoplate from 5 to 15 & Aring, increases the heat flux from 40.05 to 46.77 W/m2 and thermal conductivity of the nanofluid from 14.15 to 14.99 W/m & sdot,K, since the larger graphene nanoplate films can produce a more substantial covalent bonding and link interlayer coupling. In contrast, the larger nanoplate also enhanced viscosity from 0.30 to 0.39 mPa & sdot,s, aggregation time from 3.64 to 4.01 ns, and friction coefficient from 0.020 to 0.026, which indicated lower particle mobility. This study was the first of its kind to contribute to the existing knowledge gap by investigating the simultaneous effect of both the nanoplate size and external heat flux in an oscillating microchannel heat exchanger. The knowledge provided offers an experimental pathway in optimizing the nanofluid properties and the heat exchanger geometry for improved thermal management for compact and microscale applications.Publication Metadata only Utilizing machine learning algorithms for prediction of the rheological behavior of ZnO (50%)-MWCNTs (50%)/ Ethylene glycol (20%)-water (80%) nano-refrigerant(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Song, Xiedong; Baghoolizadeh, Mohammadreza; Alizadeh, As'ad; Basem, Ali; Jasim, Dheyaa J.; Sultan, Abbas J.; Salahshour, Soheil; Piromradian, Mostafa; Jining University; Inner Mongolia University of Finance & Economics; Shahrekord University; Cihan University-Erbil; Al-Amarah University College; University of Warith Alanbiyaa; University of Technology- Iraq; University of Missouri System; Missouri University of Science & Technology; Okan University; Bahcesehir University; Lebanese American University; Islamic Azad UniversityThis paper aims to explore the utilization of machine learning techniques for the accurate prediction of rheological properties in a specific nanofluid system, ZnO(50 %)-MWCNTs (50 %)/Ethylene glycol (20 %)-water (80 %), designed for nano-refrigeration applications. The effective manipulation of the rheological behavior of nanofluids is pivotal for enhancing their heat transfer efficiency and overall performance. By harnessing the predictive power of machine learning, this study endeavors to unravel the intricate relationships governing the rheological characteristics of the nano-refrigerant, ultimately contributing to the development of advanced cooling solutions. The obtained results show that pnf of ZnO(50%)-MWCNTs (50%)/ Ethylene glycol(20%)-water (80%) nano-refrigerant is little affected by T, and even when T varies, this result does not alter much. Also, the lowest pnf occurs when it has the highest temperature and the lowest gamma and m. Finally, it was concluded that the best algorithm in terms of the Taylor diagram for pnf output is the MPR algorithm and the worst is the ECR algorithm and the pattern of gamma changes shows that the ideal value of gamma is the biggest when pnf levels fall in tandem with their growth.Publication Metadata only The computational study of silicon doping and atomic defect influences on the CNT's nano-pumping process: Molecular dynamics approach(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Hao, Yazhuo; Basem, Ali; Bagheritabar, Mohsen; Jasim, Dheyaa J.; Keivani, Babak; Kareem, Anaheed Hussein; Sultan, Abbas J.; Salahshour, Soheil; Esmaeili, Shadi; University of Warith Alanbiyaa; Al-Amarah University College; Ege University; Al-Ayen University; University of Technology- Iraq; University of Missouri System; Missouri University of Science & Technology; Okan University; Bahcesehir University; Lebanese American University; Semnan UniversityToday, nanotubes are used in biological systems due to their low toxicity and unique functionalization capability. Carbon nanotubes (CNTs) are considered one of the best carriers in drug delivery systems. In this study, the effect of silicon (Si) doping and atomic defects on the CNT's nano-pumping process has been investigated by molecular dynamics (MD) simulation, and the changes in kinetic energy, potential energy, entropy, stress, and nanopumping time are investigated. The results show that increasing Si doping increases CNT's C20 molecule exit time. Numerically, as the Si doping increases from 0.05% to 4%, the exit time of the C20 molecule increases from 8.07 to 9.16 ps. Also, an increase in Si doping leads to a decrease in kinetic energy and lattice stress and an increase in the potential energy and entropy of the system. So, the nanostructure with 1% doping performs better (optimal performance) than other samples. The effect of atomic defect with 0.5%, 1% and 1.5% on CNT's surface is investigated. The results show that the kinetic energy of samples decreases by increasing atomic defect from 0.5% to 1.5%. Also, the results show that the kinetic energy of the sample with a 0.5% atomic defect is higher than its defect-free state. The numerical results show that potential energy and entropy increase with the increasing the atomic defect. This increase can lead to an increase in the time it takes for the nanoparticle to exit the nanotube and disrupt the nano-pumping process.Publication Metadata only Investigating the effect of external magnetic field on preventing deposition process in wax/asphaltene nanostructure using molecular dynamics simulation(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Shao, Jianguo; Al-Aragi, Nawfel M. H.; Jasim, Dheyaa J.; Abosaoda, Munthar Kadhim; Shomurotova, Shirin; Salahshour, Soheil; Alizadeh, As'ad; Hekmatifar, M.; Lanzhou Resources & Environment Voc-Tech University; University of Warith Alanbiyaa; Al-Amarah University College; Islamic University College; Islamic University College; Tashkent State Pedagogical University; Okan University; Bahcesehir University; Lebanese American University; Cihan University-Erbil; Amirkabir University of TechnologyBackgroundPublication Metadata only The effect of amplitude of heat flux on the adsorption of doxorubicin by MOF11 bio-carrier using molecular dynamics simulation(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Hu, Panpan; Basem, Ali; Jasim, Dheyaa J.; Raja, Waleed; Aljaafari, Haydar A. S.; Salahshour, Soheil; Hashemian, Mohammad; Lvliang University; University of Warith Alanbiyaa; Al-Amarah University College; Madenat Alelem University College; University of Iowa; University of Technology- Iraq; Okan University; Bahcesehir University; Lebanese American University; Islamic Azad UniversityA common chemotherapy drug, doxorubicin's effectiveness is restricted by its quick excretion from the body and poor solubility. Because of their large surface area and adjustable pore size, bio MOF11 carriers demonstrated promise as drug delivery systems. Examining how external heat flux amplitude (EHFA) affects bio MOF11's ability to adsorb doxorubicin can reveal ways to improve drug loading and release, which will improve drug delivery. Moreover, by shortening the time needed for adsorption (Ads) and desorption, using EHFA in drug Ads processes can increase energy efficiency. Through comprehending the effect of EHFA on the Ads procedure, researchers can ascertain the ideal circumstances for optimizing drug loading while reducing energy usage. The current work examined the effect of EHFA amplitude on doxorubicin Ads via a bio MOF11 carrier using molecular dynamics (MD) modeling. According to MD data, EHFA was expected to have a significant effect on the atomistic evolution of the proposed drug-MOF11 system. The system's interaction energy (IE) and diffusion coefficient rose from-937.27 kcal/mol and 61.40 nm(2)/ns(2)/ns to-984.08 kcal/mol and 75.16 nm(2)/ns(2)/ns when EHFA changed from 0.01 to 0.05 W/m(2). Increasing EHFA to 0.05 W/m2 2 resulted in a mean square displacement (MSD) parameter of 69.16 & Aring,2. 2 . Therefore, based on the numerical results from this study, it can be said that the doxorubicin drug-MOF11 system changed and atomically evolved when the applied EHFA changes in magnitude.Publication Metadata only Investigating the effect of constant heat flux on the adsorption of doxorubicin by bio-MOF-11 biocarrier using molecular dynamics simulation(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Liu, Zhiming; Nasir, Zainab Adnan; Mostafa, Loghman; Jasim, Dheyaa J.; Hammoodi, Karrar A.; Salahshour, Soheil; Sabetvand, Rozbeh; Wuhan University; University of Technology- Iraq; Cihan University-Erbil; Al-Amarah University College; University of Warith Alanbiyaa; Okan University; Bahcesehir University; Lebanese American University; Amirkabir University of TechnologyThis study aimed to investigate the effect of constant heat flux on the adsorption of doxorubicin by bio-MOF-11 biocarrier using molecular dynamics simulation. The research explores the behavior of drug molecule and carrier under different thermal conditions to understand the underlying mechanisms of adsorption. The modeled samples were made of bio-MOF-11 structure, trisodium phosphate buffer (as a drug), and aqueous environment in the presence of NaCl. Technically, the atomic interaction among various atoms inside a computational box was described using a Universal Force Field. The findings of this study could contribute to the development of more effective drug delivery systems and advance the understanding of the adsorption process in carriers. The present outputs predicted the external heat flux was an important parameter in the atomic evolution of the drug-MOF system. The 0.3 W/m2 value of heat flux was optimum for drug diffusion into the MOF sample. Numerically, the number of diffused drug particles and diffusion coefficient converged to 335 and 73.19 nm2/ns (respectively) in the optimum value of heat flux. So, it was concluded that heat flux implementation to the drug-MOF system and changing this external parameter manipulated the drug adsorption (drug delivery) procedure in the designed system for various clinical applications.Publication Metadata only A molecular dynamics study of the external heat flux effect on the atomic and thermal behavior of the silica aerogel/ paraffin /CuO nanostructure(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Ren, Jiaxuan; Basem, Ali; Al-Bahrani, Mohammed; Jasim, Dheyaa J.; Al-Rubaye, Amir H.; Salahshour, Soheil; Alizad, A.; Changchun University of Science & Technology; University of Warith Alanbiyaa; Al-Mustaqbal University College; Al-Amarah University College; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American UniversityInvestigating the nanostructure's atomic and thermal properties (TP) might help enhance energy conversion and storage technologies. This is particularly important when considering phase change materials (PCM) and their use in thermal energy storage systems. However, understanding the behavior of nanostructure's atomic and thermal components in response to temperature (Temp) changes is critical, as is improving its heat transfer capacities for a wide range of applications by examining the effect of external heat flux (EHF). As a result, the major goal of this research was to determine the effect of EHF on the atomic and TP of silica aerogel (SA)/ paraffin/CuO nanostructures. This investigation was done using molecular dynamics (MD) simulation and LAMMPS software. To achieve this, a study was undertaken into the effect of EHF of different magnitudes (0.01, 0.02, 0.03, and 0.05 W/m2) on the maximum (Max) density (Dens), velocity (Vel), and Temp, as well as HF, thermal conductivity (TC), and charging and discharging time. The results show that when the EHF increased to 0.05 W/m2, the Max Dens value decreased to 0.0754 atoms per square centimeter. Furthermore, the Max Temp and Vel increased to 1018.82 K and 0.0139/fs, respectively. Increased external heat discharge improved the thermal effectiveness of simulated construction. Increasing the EHF raised the TC and HF to 95.93 W/m2 and 1.93 W/mK, respectively. Finally, the results of this simulation are expected to improve understanding of nanostructure TP and their potential applications in improved energy conversion and storage technologies.Publication Metadata only An analytical solution for hollow cylinders under temporary torsional strain that includes several fractures and an orthotropic coating(ELSEVIER SCI LTD, 2024) Zhang, Lei; Talebipour, Mostafa; Jasim, Dheyaa J.; Karimi, Mostafa; Salahshour, Soheil; Baoji University of Arts & Sciences; Al-Amarah University College; Islamic Azad University; Okan University; Bahcesehir University; Lebanese American UniversityIn this study, an analytical solution is used to strengthen a hollow cylinder bar with an orthotropic coating and is subjected to short-term torsional loading. First, the Fourier transform is used to find the stress field of a hollow circular bar with an orthotropic coating and a Volterra-type screw dislocation. Next, using the distributed dislocation approach, the issue is reduced to a set of integral equations with a Cauchy singularity in the domain. By analyzing the integral equations, the elements influencing stress intensity at the solitary fracture points and torsional rigidity are found. Lastly, a number of examples are provided to show how the orthotropic coating affects the domain under consideration's torsional rigidity and dynamic stress intensity characteristics.Publication Metadata only Numerical analysis of turbulent natural convection in the presence of wire-induced non-uniform magnetic field inside a porous medium(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Guo, Bin; Basem, Ali; Alizadeh, As'ad; Najm, Akram Shakir; Kazemi-Varnamkhasti, Hamed; Jasim, Dheyaa J.; Salahshour, Soheil; University of Warith Alanbiyaa; Cihan University-Erbil; University of Technology- Iraq; Shahid Beheshti University; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American UniversityTurbulent natural convection of Fe 3 O 4-water ferrofluid with Reynolds Averaged Navier-Stokes (RANS) based turbulence model of k- win the presence of wire-induced non-uniform magnetic field inside a porous medium is simulated, numerically. To discretize and solve the related equations the FVM method and SIMPLE algorithm are implemented. For applying the non-uniform magnetic field, two wires carrying electric currents have been installed below and above the enclosure. Simulations are implemented for different Rayleigh numbers (106 <= Ra <= 108), porosity number of (n = 0.5 and 0.9), volume fractions of nanoparticles (0 <= <= 4%), magnetic field numbers (0 <= MFN <= 109). According to the results, in low Rayleigh number and high MFN, at the high-volume fraction of nanoparticles, applying a magnetic field optimally influenced transfer and Nusselt number. At high porosity numbers, low Ra numbers and = 4%, the heat transfer rate improved by up to 17%. However, at high Ra numbers and high , applying the magnetic field reduces the Nusselt number by almost 12 %.Publication Metadata only Investigating the effect of porosity on the adsorption of doxorubicin by bio-MOF-11 using molecular dynamics simulation(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Chen, Zhen; Liu, Xiaoning; Basem, Ali; Jasim, Dheyaa J.; Salahshour, Soheil; Esmaeili, Shadi; Xinyang Normal University; University of Warith Alanbiyaa; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American University; Semnan UniversityThis study offered valuable insights into the effect of various porosity ratios on the adsorption efficiency and efficacy of bio-MOF-11 carrier in drug delivery applications. Using molecular dynamics simulation, the effect of porosity on the adsorption of doxorubicin by the bio-MOF-11 carrier was studied. The study investigates the various degrees of porosity, with particular emphasis on 1 %, 2 %, 3 %, and 5 %. The effect of porosity on the adsorption behavior of doxorubicin by bio-MOF-11 carrier was assessed by examining parameters, such as drug adsorption capacity, mean square displacement, diffusion coefficient (DC), and interaction energy (IE). The anticipated results indicate the potential drug delivery performance in the modeled MOF11 structure. The DC within the doxorubicin drug-MOF11 system converged to 78.86 nm2/ns numerically. Moreover, the inherent porosity of pristine MOF11 sample affected the drug transport capabilities of this MOF. This simulation demonstrated that when the porosity within MOF11 raised by 3%, the number of drug particles diffusing into MOF11 increased to 207. MOF11 sample, which was at its optimal state, may be used in several therapeutic processes in clinical cases.