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  • Publication
    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 University
    This 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
    Using CFD analysis to evaluate the performance of a natural gas compressor under different geometries of internal parts
    (ELSEVIER, 2025) Liu, Rong; Ali, AliB. M.; Jasim, Dheyaa J.; Singh, Narinderjit Singh Sawaran; Al-Bahrani, Mohammed; Ahmad, Zubair; Akbari, Omid Ali; Salahshour, Soheil; Hasanabad, Ali Mohammadi; Jilin University; University of Warith Alanbiyaa; Al-Maarif University; INTI International University; Al-Mustaqbal University College; King Khalid University; King Khalid University; Arak University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar University
    Natural gas transmission networks in some countries are the main arteries of this energy source. Their extensiveness and the fluid properties of natural gas necessitate proper compression under all conditions. The design of pressure boosting stations and the operation prediction under different consumer demand conditions necessitate using several parallel compressors capable of different rotational speeds. In this study, a model of a heavy-duty centrifugal compressor used in these stations has been studied. First, using the finite volume method, the compressor is simulated with initial conditions and in three dimensions. Then, suggestions are made to modify the geometry of its various parts, and their effects under all flow rates and rotational speeds are examined. The impact of the number of blades/vanes in the impellers, the intermediate diffuser, and the inlet channel has been studied. The effect of using splitters has also been examined. The results show that although the use of splitters is not recommended, changing the number of blades/vanes in other parts can increase the efficiency of the compressor. Increasing the number of IGVs reduces the compressor power consumption by 5.9 %. Increasing the number of IBs from 15 to 18 for the first and second stages increases the outlet pressure by 2.93 % and 0.32 %, respectively. It also decreases the outlet entropy by 46.80 % and 28.45 %, respectively. It also decreased TKE in the first stage from 172.83J/K to 139.26J/K (19.99 %) and increased it from-52.73 to 4.77J/K in the second stage. Reducing the number of diffuser vanes to 19 increased the efficiency by 1.1 %. Reducing the number of IBs to 15 increased the efficiency by 2.55 %. In general, since the natural gas consumption flow rate has changed from the initial design condi-tions, and the performance improvement resulting from the proposed modifications is greater at higher flow rates, these changes are justified.
  • Publication
    Investigating the effect of the number of layers of the atomic channel wall on Brownian displacement, thermophoresis, and thermal behavior of graphene/water nanofluid by molecular dynamics simulation
    (ELSEVIER, 2024) Guo, Xinwei; Jasim, Dheyaa J.; Alizadeh, Asad; Keivani, Babak; Nasajpour-Esfahani, Navid; Salahshour, Soheil; Shamsborhan, Mahmoud; Sabetvand, Rozbeh; North China University of Water Resources & Electric Power; Shanghai Jiao Tong University; Al-Amarah University College; Cihan University-Erbil; Kirsehir Ahi Evran University; University System of Georgia; Georgia Institute of Technology; Okan University; Bahcesehir University; Lebanese American University; University of Zakho; Amirkabir University of Technology; Xi'an University of Science & Technology
    Nanofluids (NFs) are nanoscale colloidal suspensions containing dense nanomaterials. They are two-phase systems with solid in liquid phase. Due to their high thermal conductivity, nano -particles increase the thermal conductivity (TC) of base fluids, one of the basic heat transfer parameters, when distributed in the base fluids. The present research investigates the thermal behavior, Brownian motion, and thermophoresis of water/graphene NF affected by different numbers of atomic wall layers (4, 5, 6 and 7) by molecular dynamics (MD) simulation. This investigation reports changes in heat flux (HF), TC, average Brownian displacement, and ther-mophoresis displacement. By raising the number of atomic wall layers from 4 to 7, the average Brownian displacement and thermophoresis displacement increase from 3.06 angstrom and 23.88 angstrom to 3.62 and 25.05 angstrom, respectively. Increasing the number of layers due to the decrease in temper-ature increases the temperature difference between the hot and cold points along the channel. It increases the Brownian motion and the maximum temperature. Additionally, by raising the atomic layers of the channel wall, the values of HF and TC increase from 39.54 W/m2 and 0.36 W/mK to 41.18 W/m2 and 0.42 W/mK after 10 ns, respectively. The temperature rose from 1415 to 1538 K. These results are useful in different industries, especially for improving the thermal properties of different NFs.
  • Publication
    The effect of initial conditions (temperature and pressure) on combustion of Fe-coated-aluminum hydride nanoparticles using the molecular dynamics approach
    (ELSEVIER, 2024) Yuanlei, Si; Hammoodi, Karrar A.; Sajadi, S. Mohammad; Rashid, Farhan Lafta; Li, Z.; Jasim, Dheyaa J.; Salahshour, Soheil; Esmaeili, Shadi; Sabetvand, Rozbeh; Jiangsu Vocational Institute of Architectural Technology; University of Warith Alanbiyaa; Cihan University-Erbil; University of Kerbala; Donghai Laboratory; Opole University of Technology; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American University; Semnan University; Amirkabir University of Technology
    Highly combustible elements like beryllium, lithium, Al, Mg, and Zn have the highest combustion, increasing the heat in explosives and propellants. Al can be used because of its greater avail-ability. Reducing the size of Al nanoparticle (NP) increases the combustion rate and decreases the combustion time. This paper studied the effect of initial conditions on the phase transition (PT) and atomic stability times of Fe-coated-aluminium hydride (AlH3) NPs. The molecular dynamics (MD) technique was used in this research. The microscopic behavior of structures was studied by density (Den.), velocity (Vel.), and temperature (Tem.) profiles. Heat flux (HF), PT, and the atomic stability of the structure were examined at different initial pressures (IP) and initial temperatures (IT). According to the achieved results, Den., Vel., and Tem. values had a maximum value of 0.025 atoms/angstrom 3, 0.026 angstrom/ps, and 603 K. By increasing IT in the simulation box to 350 K, HF in the samples increases to 75.31 W/m2. Moreover, the PT time and atomic stability time by increasing IP reach to 5.93 ns and 8.96 ns, respectively. Regarding the importance of the phe-nomenon of heat transfer and PT of nanofluids (NFs), the findings of this study are predicted to be useful in various industries, including medicine, agriculture, and others.
  • Publication
    Numerical investigation of the heat flux frequency effect on the doxorubicin absorption by Bio MOF11 carrier: A molecular dynamics approach
    (ELSEVIER, 2024) Ben Said, Lotfi; Basem, Ali; Jasim, Dheyaa J.; Aljaafari, Haydar A. S.; Ayadi, Badreddine; Aich, Walid; Salahshour, Soheil; Eftekhari, S. Ali; University Ha'il; Universite de Sfax; Ecole Nationale dIngenieurs de Sfax (ENIS); University of Warith Alanbiyaa; Al-Amarah University College; University of Iowa; University of Technology- Iraq; Universite de Sfax; Ecole Nationale dIngenieurs de Sfax (ENIS); Universite de Monastir; Okan University; Bahcesehir University; Lebanese American University; Islamic Azad University
    The present study investigated the effect of heat flux frequency on doxorubicin adsorption by bio MOF11 biocarrier using molecular dynamics simulation. This simulation examined the effect of several heat flux frequencies (0.001, 0.002, 0.005, and 0.010 1/fs) on the quantity of drug particles absorbed, mean square displacement (MSD), diffusion coefficient, and interaction energy. The present outputs of simulations predicted the structural stability of the modeled MOF-drug system in 300 K. Also, simulation outputs predicted by frequency optimization, the adsorption of target drug inside MOF11 maximized, and efficiency of this sample in actual clinical applications, such as drug delivery process increased. Numerically, the optimum value of frequency was estimated to be 0.005 1/fs. Using this heat setting, the interaction energy between MOF 11 and the doxorubicin drug increased to -929.05 kcal/mol, and the number of penetrated drug particles inside MOF11 converged to 207 atoms. The results reveal that the MSD parameter reached 64.82 angstrom 2 after 100000 -time steps. By increasing frequency to 0.005 fs-1, this increased to 78.05 angstrom 2. By increasing MSD parameter, the drug diffusion process effectively occurred, and the diffusion coefficient increased from 67.29 to 82.47 nm2/ns. It is expected that the findings of present investigation guide the design of more efficient drug delivery platforms, enhance drugcarrier interactions, improve manufacturing processes, and aid in developing novel nanomaterials with enhanced adsorption properties for various applications.
  • Publication
    Numerical examination of exergy performance of a hybrid solar system equipped with a sheet-and-sinusoidal tube collector: Developing a predictive function using artificial neural network
    (ELSEVIER, 2024) Sun, Chuan; Fares, Mohammad N.; Sajadi, S. Mohammad; Li, Z.; Jasim, Dheyaa J.; Hammoodi, Karrar A.; Nasajpour-Esfahani, Navid; Salahshour, Soheil; Alizadeh, As'ad; Huanggang Normal University; University of Basrah; Cihan University-Erbil; Donghai Laboratory; Opole University of Technology; Al-Amarah University College; University of Warith Alanbiyaa; University System of Georgia; Georgia Institute of Technology; Okan University; Bahcesehir University; Lebanese American University; Urmia University
    Integrating cooling systems with photovoltaic-thermal (PVT) collectors has the potential to mitigate the exergy consumption in the building sector due to their capability for simultaneous power and thermal energy generation. The simultaneous utilization of nanofluid and geometry modification resulted in a synergetic enhancement in the performance of PVTs and thereby reducing their sizes and costs. In addition, there is still a lack of high accurate predictive model for the estimation of the performance of PVTs at a given Re number and nanofluid concentration ratio to be used in engineering design for the further product commercialization. To this end, the current numerical study investigates the exergy electricity, thermal, and overall exergies of a building-integrated photovoltaic thermal (BIPVT) solar collector with Al2O3/water coolant. The increase in nanoparticle concentration (omega) from 0 % to 1 % increased the useful thermal exergy and overall exergy efficiency (Exu,t/ Yov) by 0.3999 %/0.0497 %, 1.3959 %/0.2598 %, and 0.7489 %/0.1771 % at Re numbers of 500, 1000, and 1500, respectively, while Exu,t/ Yov exhibited a reducing trend at Re = 2000, 0.3928 %/0.1056 % decrease. In addition, the increase in omega from 0 % to 1 % caused the useful electricity and electrical exergy (Exu,e/ Ye) to be diminished by 0.0060 %/0.0025 % at Res 500 and 1000, and to be escalated by 0.0113 %/0.0055 % at Res of 1500 and 2000. Meanwhile, the Re augmentation, from 500 to 2000, improved the Exu,t, Exe, Ye, and Yov by 60 %, 1.26 %, 1.26 %, and 17.50 %, respectively, at different omega s. In addition, two functions were developed and proposed by applying a group method of data handling-type neural network (GMDH-ANN) to forecast the value of Υov based on two input values (Re and omega). The results showed high accuracy of the proposed model with MSE, EMSE, and R2 of 0.0138, 0.1143, and 0.99785, respectively.
  • Publication
    Thermal performance of forced convection of water- NEPCM nanofluid over a semi-cylinder heat source
    (ELSEVIER, 2024) Wang, Xiaoming; Rasheed, Rassol H.; Keivani, Babak; Jasim, Dheyaa J.; Sultan, Abbas J.; Hamedi, Sajad; Kazemi-Varnamkhasti, Hamed; Salahshour, Soheil; Toghraie, Davood; University of Shanghai for Science & Technology; University of Shanghai for Science & Technology; University of Warith Alanbiyaa; Ege University; Al-Amarah University College; University of Technology- Iraq; University of Missouri System; Missouri University of Science & Technology; University System of Ohio; University of Cincinnati; Shahid Beheshti University; Okan University; Bahcesehir University; Lebanese American University; Islamic Azad University
    1) Background: Phase change materials (PCMs) have been used statically, which has caused the use of these materials to face challenges. Encapsulating PCMs and combining them with the base fluid can significantly solve the problem of using PCMs in BTM systems. In the present study, based on computational fluid dynamics, forced convection heat transfer of nano -encapsulated phase change materials (NEPCM) in a BTM system are simulated. The main aim of the present research is to reduce the temperature at the surface of the hot cylinder. 2) Methods: In this research, we simulated lithium battery thermal management systems in both steady and transient states. The effects of using NEPCM particles to water were investigated. Modeling is implemented using the finite volume method and the PIMPLE and SIMPLE algorithms in OpenFoam. Furthermore, the effects of battery heat flux, Reynolds number, and the presence of nanoparticles (NPs) were analyzed. We intend to evaluate the optimal state of the system by studying the mentioned parameters. 3) Significant Findings: Our study shows that adding 3.5% NEPCM to water can reduce the length of the vortex by 22% and in unsteady -state simulation, it is observed that the presence of NEPCM particles in water reduces battery temperature up to 0.66 K.
  • Publication
    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 University
    This 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
    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 University
    Today, 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
    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 Technology
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