Article
Engineering, Chemical
Xuefang Hu, Amir Hossein Derakhshanfard, Ndrajit Patra, Imran Khalid, Abduladheem Turki Jalil, Maria Jade Catalan Opulencia, Reza Balali Dehkordi, Davood Toghraie, Maboud Hekmatifar, Roozbeh Sabetvand
Summary: This study utilizes molecular dynamics simulation to analyze the behavior of water/Fe3O4 nanofluid in Cu and Pt wall type microchannels. The results indicate that the atomic stability of the system increases by changing the MC type.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Thermodynamics
Danhong Li, Changyong Jiang, Xia Cao, Hui Li, Maboud Hekmatifar, Roozbeh Sabetvand
Summary: This study investigates the effect of factors such as cross-sectional area and the number of Fe nanoparticles on pool boiling heat transfer of water/Fe nanofluid in a microchannel. The results show that increasing the number of nanoparticles reduces the phase-change duration, while reducing the cross-sectional area increases the heat flux and enhances the heat transfer coefficient. These findings are important for optimizing heat transfer processes in micro and nanoscale applications.
CASE STUDIES IN THERMAL ENGINEERING
(2022)
Article
Engineering, Multidisciplinary
Langzhun Ze, F. Al-dolaimy, S. Mohammad Sajadi, Maytham T. Qasim, Ahmed Hussien Alawadi, Reza Balali Dehkordi, Ali Alsalamy, Roozbeh Sabetvand, Maboud Hekmatifar
Summary: Nanofluid is a fluid mixture containing nanoparticles, and the aggregation of nanoparticles leads to instability in NF concentration and reduced thermal conductivity. This study uses Molecular Dynamics simulation to explain the effect of copper oxide nanoparticles in water/CuO nanofluid on atomic behavior and aggregation process.
ENGINEERING SCIENCE AND TECHNOLOGY-AN INTERNATIONAL JOURNAL-JESTECH
(2023)
Article
Engineering, Multidisciplinary
Zhongwei Zhang, Munthir Mohammed Radhy Al Kubaisy, Sabah Auda Abdul Ameer, Ali Jawad Alrubaie, Amgen Mohammed, Samar Emad Izzat, Ayat Hussein Adhab, Emad Salaam Abood, Navid Nasajpour-Esfahani, D. T. Semirumi, Roozbeh Sabetvand
Summary: Recently, oscillating heat pipes filled with nanofluid have attracted attention due to their improved thermal conductivity and heat/mass transfer characteristics. This study focuses on adding Fe3O4 nanoparticles to the nanofluid to enhance the efficiency of the designed structures. Numerical findings show that the thermal behavior of the Fe3O4-H2O nanofluid improves as the nanoparticle radius increases. Additionally, the presence of an external magnetic field enhances the thermal behavior of the nanofluid in the heat pipe.
ALEXANDRIA ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Ying Xu, Xinying Zhang, Seyedmahmoodreza Allahyari, As'ad Alizadeh, Davood Toghraie, Amin Rahmani
Summary: Molecular dynamics simulation was used to study boiling flow of argon fluid in microchannels with ideal and roughened surfaces. The shape of barriers was found to have an impact on the density distribution of the fluid, with this effect diminishing over time.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Thermodynamics
Wafa F. Alfwzan, Ali Imran, F. M. Allehiany, Musaad S. Aldhabani
Summary: The advancement of nanobiotechnology has led to the emergence of the application of nanofluids in the medical field as a major research topic. This study explores the dynamics of hybrid nanofluids in a ciliated inclined microchannel, considering various physical impacts such as electromagnetohydrodynamics, gyrotactic microorganisms, activation energy, and solar radiation. The equations of motion are simplified using approximations and solved numerically in Mathematica. The effects of key physical parameters on flow dynamics and thermal characteristics are illustrated graphically. This investigation is of great significance for understanding physiological fluid transport, managing bleeding through magnetic field manipulation, and drug infusion mechanisms.
CASE STUDIES IN THERMAL ENGINEERING
(2023)
Article
Thermodynamics
Jin Wang, Kai Yu, Mingzheng Ye, Enyu Wang, Wei Wang, Bengt Sunden
Summary: This paper presents a comparative analysis of pin fins and vortex generators to determine their optimal cross-section shape and parameters. A novel combined structure is proposed to enhance the thermal performance of an integrated microchannel heat sink. The effects of nanoparticle diameter and volume fraction are investigated using Al2O3 nanofluid and DI-water. The results show that oval pin fins and the optimal vortex generator significantly improve the heat transfer and hydraulic performance of the heat sink.
Article
Thermodynamics
Mohamad Nur Hidayat Mat, Normah Mohd-Ghazali, Hielfarith Suffri Shamsuddin, Patrice Estelle
Summary: This study used CFD numerical simulation to investigate the fluid flow of nanofluids with Triton TX-100 surfactant and boron nitride nanotubes as the base fluid at different temperatures in microchannels. The results showed that nanofluids operated at high temperature had lower thermal resistance, but higher pumping power compared to distilled water at 30 degrees Celsius.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Thermodynamics
Yingchun Zhang, Weihong Li, Yong Li, Gongnan Xie
Summary: This study investigates the potential applications of nanofluids under magnetic fields in microchannel cooling and thermal absorption. A preconditioned lattice Boltzmann method (PLBM) is developed to study the thermo-hydraulic characteristics of Al2O3-water nanofluid in a microchannel with temperature-dependent physical properties. The effects of external magnetic field, buoyancy force, and volume fraction of nanoparticles are discussed, and entropy generation is analyzed. The results show that applying a magnetic field increases the average shear stress and Nusselt number, and the entropy generation caused by magnetic field irreversibility is higher than that caused by heat transfer irreversibility.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Chemistry, Physical
Yangjun Qin, Jin Zhao, Zhao Liu, Chao Wang, Hang Zhang
Summary: The influence of surface roughness inside the nanochannel on nanofluid flowing properties was studied using molecular dynamics simulation. The study found that increasing roughness height increases the temperature and velocity of the nanofluid. Surface roughness also reduces the range of density fluctuations near the walls in the nanochannel. Triangular roughness has the greatest effect on the flow properties of the nanofluid.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Analytical
Huajie Wu, Shanwen Zhang
Summary: Adjusting the nanoparticle volume fraction and aspect ratio of microchannels has a significant impact on improving the heat transfer capacity of nanofluids, but may increase the pumping power of the system; increasing the aspect ratio of microchannels effectively enhances the heat transfer capacity of heat sinks, but the heat transfer coefficient does not continue to increase beyond a certain value.
Article
Engineering, Multidisciplinary
Wanhai Liu, Mohsin O. AL-Khafaji, Zainab Ali Bu Sinnah, Nawras Ali Salman, M. Gh. Said, Kadhum Al-Majdi, Adnan Hashim Abdulkadhim, Majid Zarringhalam, Shaghayegh Baghaei
Summary: In this study, the flow of argon within different microchannels was simulated using the molecular dynamics simulation (MDS) method. The influence of surface roughness with different geometries on the fluid flow distribution was investigated by simulating ideal microchannels and roughening their internal surfaces with cone, cubic, and spherical barriers. The results showed that cone and spherical barriers had little impact on the flow characteristics, while cubic barriers delayed the density distribution of argon flow in the middle region of the microchannel. The study also observed the effects of thermal and external energies on the distribution of fluid particles in different sections of the microchannel.
AIN SHAMS ENGINEERING JOURNAL
(2023)
Article
Physics, Applied
Xinyu Gao, Nan Li, Zifeng Song, Kai Wu, Yonghong Cheng, Bing Xiao
Summary: Multi-scale and multi-physics simulations were conducted to investigate nano-emitters composed of FCC (Al, Cu and Au), BCC (V, Mo and W) and HCP (Ti, Zn and Zr) metals, using hybrid electrodynamics coupled with molecular dynamics-particle in cell simulations (PIC-ED-MD). It was found that the tilting of the nano-emitter at low temperature and small electric field (E-field) is mainly caused by the movement of partial dislocations or elastic local distortions of atomic registries. At high E-field, resistive heating leads to direct melting of the nano-emitter apex. The critical E-field strength of metal nano-emitters is strongly correlated with structural parameters, thermodynamic quantities and phase transition temperatures, allowing for the prediction of critical E-field values using linear fitting or regression models.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Chemistry, Physical
Haoqiang Guan, Qiaoming Su, Ruijin Wang, Lizhong Huang, Chun Shao, Zefei Zhu
Summary: It is found that adding nanoparticles to a base fluid can enhance the thermal conductivity of nanofluids, but the mechanism is unclear for hybrid nanofluids with nanoparticles composed of multiple materials. This study explores the microscopic mechanism behind the enhancement in thermal conductivity of hybrid nanofluids. Molecular dynamics simulations were used to estimate the thermal conductivity and diffusion coefficient of Cu-Ag/Ar hybrid nanofluid. The results show that Cu-Ag 50%/Ar hybrid nanofluid has the highest improvement in thermal conductivity compared to liquid Ar.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Chemical
Hongwei Cui, S. Saleem, Jafar Eskandari Jam, Mohsen Heydari Beni, Maboud Hekmatifar, Davood Toghraie, Roozbeh Sabetvand
Summary: The research utilized molecular dynamics simulation to investigate the effect of metallic nanoparticles on the phase transition of atomic fluid, with the addition of copper nanoparticles improving the thermal behavior of the base fluid. Results showed that simulated structures reach equilibrium after 2,000,000 time steps, and the introduction of atomic barriers increased the heat flux, leading to more fluid particles exhibiting phase phenomena.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2021)
Article
Biochemistry & Molecular Biology
Aiien Moarrefzadeh, Mohammad Reza Morovvati, Sajad Niazi Angili, Ghassan Fadhil Smaisim, Amirsalar Khandan, Davood Toghraie
Summary: In this study, 3D-printed polylactic acid (PLA) scaffolds are coated with alginate and carbon nanotubes (CNTs) in three different ratios. The mechanical and biological properties of the scaffolds are evaluated, and it is found that incorporating 0.3 wt% CNTs is optimal. The microstructure of an Alginate/CNT nanocomposite is analyzed using the representative volume element technique, and the material characteristics are found to correspond well with experimental results. Additionally, the lattice cube scaffold shows higher compressive strength and elastic modulus compared to the octahedron and Swiss cube scaffolds.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Engineering, Mechanical
Mohammad Hemmat Esfe, Erfan Mohammadnejad Ardeshiri, Davood Toghraie
Summary: The viscosity of MWCNT (20%)-ZnO(80%)/SAE50 hybrid nanofluid (HNF) is investigated using statistical approach (RSM) and compared with other models. The study is conducted under laboratory conditions with varying temperature, volume fraction, and shear rate. The aim of this research is to identify the best model function and determine the optimal lubrication mode in cold and hot environments. The Quartic model shows the highest significance and predictive power among all the models analyzed.
TRIBOLOGY INTERNATIONAL
(2023)
Article
Engineering, Chemical
Mohammad Salarnia, Davood Toghraie, Mohammad Ali Fazilati, Babak Mehmandoust, Mostafa Pirmoradian
Summary: This study investigates the physical and thermal properties behaviors of water and Fe-Fe2O3-Fe3O4/ water nanofluids in an oscillating heat pipe. The results show that the addition of nanofluids improves heat flux, density, velocity, and temperature. These findings provide an optimal mechanism for heat transfer in practical applications.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Chemistry, Multidisciplinary
Mohammad Hemmat Esfe, Saeed Esfandeh, Fatemeh Amoozadkhalili, Davood Toghraie
Summary: This study utilizes artificial neural network (ANN) to forecast the viscosity of nanofluids. The multilayer perceptron (MLP) ANN algorithm is used, with temperature, volume fraction of nanoparticles, and shear rate as inputs, and viscosity as output. The optimal sample is selected from various ANN samples, resulting in an accurate predictive model.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Article
Nuclear Science & Technology
Mohammad Hemmat Esfe, Davood Toghraie, Erfan Mohammadnejad Ardeshiri
Summary: In this report, the rheological behavior of MWCNT (50%)-MgO (50%)/SAE40 hybrid nanofluid (HNF) is investigated experimentally/statistically/numerically. The HNF is found to exhibit pseudo-plastic non-Newtonian behavior, and mathematical models are developed to estimate laboratory data and simulate flow in a branch pipe. The results provide valuable insights into understanding and predicting the rheological behavior of this specific nanofluid.
ANNALS OF NUCLEAR ENERGY
(2023)
Article
Environmental Sciences
Sina Saeidi Varnamkhasti, Majid Riahi Samani, Davood Toghraie
Summary: Composites of PANI-leaves were synthesized and used to remove Chromium (VI) from aqueous environments. The highest percentage of Cr (VI) removal (40.3%) was achieved with the composite of cherry leaves and PANI. The synthesis conditions were further studied to enhance the removal efficiency.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2023)
Article
Environmental Sciences
Hongying Lv, Wenxin Zhang, Maryam Hosseini, Majid Riahi Samani, Davood Toghraie
Summary: In this study, the removal of hexavalent chromium from aqueous environments was investigated using polyaniline composites with natural waste materials. The polyaniline/walnut shell charcoal/PEG composite showed the highest chromium removal efficiency of 79.22%. It also had a larger specific surface area, leading to an increase in its removal efficiency. The optimum pH and contact time for this composite were found to be 2 and 30 minutes, respectively. The maximum calculated adsorption capacity was 500 mg/g.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2023)
Article
Engineering, Mechanical
Mohammad Hemmat Esfe, Soheyl Alidust, Majid Motallebi, Davood Toghraie
Summary: The viscosity of 10W40-based hybrid nanofluid was modeled using response surface methodology (RSM). Four transfer functions were evaluated, and the square root transfer function showed the best performance.
TRIBOLOGY INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
M. R. Morovvati, B. Mollaei-Dariani, A. Lalehpour, D. Toghraie
Summary: This study aims to grow carbon nanotubes on aluminum substrates using TCVD to allow for cladding of aluminum sheets. FEM was used to evaluate damage progression and fracture initiation in AL-CNT composites. RVE models were studied to determine the most effective carbon nanotube weight percentage as a contender to reinforce the aluminum matrix. Experimental results showed that AL-5 wt.% CNT had the best physical properties.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Energy & Fuels
Jian Wu, Mohammad Derikvand, Duaa Abdul Rida Musa, Zainab Ali Bu Sinnah, Farag M. A. Altalbawy, Sabah Auda AbdulAmeer, Davood Toghraie, Ammar I. Alsabery, Ibrahem Waleed
Summary: Recently, energy storage systems and energy harvesting equipment have become important topics in engineering problems. However, their efficiency still remains a challenge. This study investigates the use of micro-scale flow and metal porous materials to enhance the performance of heatsinks. The thermal efficiency of the heatsink is examined by considering various fluid flow characteristics, metal foams' permeability, and the thermophysical properties of the coolant.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Physical
Wei Zhu, Farahnaz Saberi, S. Mohammad Sajadi, Navid Nasajpour-Esfahani, Maboud Hekmatifar, As'ad Alizadeh, D. Toghraie, Roozbeh Sabetvand
Summary: This study investigated the effect of graphene nanosheets (GNS) on the hydraulic fracturing process using molecular dynamics simulation. The results showed that adding GNS to the mixture can optimize the hydraulic fracturing process and reduce operating costs.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Materials Science, Multidisciplinary
Mohammad Hemmat Esfe, Fatemeh Amoozadkhalili, Davood Toghraie
Summary: This study investigated the rheological behavior of a hybrid nanofluid containing MWCNT-CuO nanoparticles in SAE50 base oil. The viscosity of the nanofluid was measured at different solid volume fractions, temperatures, and shear rates. The results showed that the nanofluid exhibited non-Newtonian behavior and the viscosity decreased with increasing temperature. The response surface methodology was used to accurately predict the viscosity based on the three-variable mathematical relationship.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Kavoos Razmjooee, Azin Rashidy Ahmady, Naghmeh Arabzadeh, Sara Ahmadi, Saeed Saber-Samandari, Davood Toghraie
Summary: In this study, a novel triple-network Gelatin/Polyacrylamide/Carboxymethyl chitosan hydrogel was synthesized using an innovative aqueous-based method. The hydrogel consisted of physically crosslinked gelatin as the first network, and covalently crosslinked Polyacrylamide and Carboxymethyl chitosan as the second and third networks, respectively. The physical and mechanical properties of the hydrogels could be tuned by adjusting the concentration of the crosslinking agent. The synthesized hydrogels exhibited desirable characteristics such as tailor-made porosity, good mechanical strength, high swelling ratio, and high thermal stability. Cell viability assays showed that the hydrogels were non-toxic and supported adequate cell viability. Therefore, these hydrogels show great promise for various medical applications such as tissue engineering scaffolds, delivery systems, and wound dressings.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Yuan Zhou, E. Abdali, Ahmadreza Shamshiri, Mohammed Al-Bahrani, Naiser Sadoon, S. Ali Eftekhari, Furqan S. Hashim, Navid Nasajpour-Esfahani, Abdullah Jalel Khazel, Laith Yassen Qassem, Davood Toghraie
Summary: This study investigates the mechanical characteristics of graphene nanosheets using the molecular dynamics method. The simulations show that the fracture lengths of nanosheets with zig-zag and armchair structures are different, and increasing temperature and pressure lead to longer crack lengths. The type of nanosheet structure affects the mechanical properties, with nanosheets with armchair edges exhibiting better performance. Furthermore, the presence of boron, nitrogen, or a combination of these impurities improves the mechanical properties and resistance to crack growth in graphene nanosheets.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
Article
Green & Sustainable Science & Technology
Chenyang Du, Navid Nasajpour-Esfahani, Maboud Hekmatifar, Davood Toghraie, Shadi Esmaeili
Summary: Biomass is a renewable and sustainable energy source produced from organic matter, which can be used to generate electricity or other forms of energy. It is considered a suitable alternative to fossil resources due to its environmental advantages.
