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Publication Metadata only Investigating the effect of copper oxide nanoparticles radius on thermal behavior of silica aerogel/paraffin nanostructure using molecular dynamics simulation(Elsevier Ltd, 2025) Ru, Yi; Ali, Ali B.M.; Qader, Karwan Hussein; Sawaran Singh, Narinderjit Singh; Jhala, Ramdevsinh Lalubha; Soliyeva, Mukhlisa; Salahshour, Soheil; Esmaeili, Shadi; Ru, Yi, University of Toronto, Toronto, Canada; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Qader, Karwan Hussein, Department of Computer Science, Cihan University-Erbil, Erbil, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Jhala, Ramdevsinh Lalubha, Department of Mechanical Engineering, Marwadi University, Rajkot, India; Soliyeva, Mukhlisa, Department of Physics and Teaching Methods, National Pedagogical University of Uzbekistan, Tashkent, Uzbekistan; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Faculty of Science and Letters, Pîrî Reis Üniversitesi, Istanbul, Turkey; Esmaeili, Shadi, Faculty of Physics, Semnan University, Semnan, IranIndividuals utilize various renewable energy sources due to the augmenting fuel costs and increased greenhouse gas emissions. Currently, scientists are confronted with a significant challenge that must be resolved. They must devise more efficient methods for storing energy that can be rapidly converted to other forms. It is imperative to select materials that can transition between various phases, such as solid to liquid or vapor while preserving thermal energy (TE). This pertains to its ability to conserve energy and reduce the harmful greenhouse gases emitted into the atmosphere. Silica aerogels (SAs) are effective at modulating temperature (T) by retaining heat or cold. Many believe that phase change materials (PCMs), capable of storing heat, are viable insulation options. This study aimed to examine the atomic and thermal performance (TP) of SA/paraffin (SAP) nanostructure with different radii of copper oxide nanoparticles (NPs). This examination was performed using molecular dynamics modeling. The effect of NP radii on T, velocity (V), and Density (D), as well as the effects on thermal conductivity (TC), heat flux (HF), charge time (CT), and discharge time (DT), was examined. The results indicate that the modeled samples' T, V, and D diminished to 903.99 K, 0.0080 Å/fs, and 0.0825 atom/Å3, respectively, as the NP radii increase to 10 Å. Also, the HF and TC diminished to 1.57 W/m.K. and 56.09 W/m2, respectively. By augmenting the size of the NPs, the CT and DT in the simulated sample reduce to 6.09 and 8.28 ns, respectively. © 2024 Elsevier B.V., All rights reserved.Publication Metadata only Numerical study of thermal performance of silica-aerogel/paraffin nanostructure in the presence of CuO nanoparticles: A molecular dynamics approach(Elsevier B.V., 2025) Ali, Ali B.M.; Hussein, Rasha Abed; Babadoust, Shahram; Sawaran Singh, Narinderjit Singh; Salahshour, Soheil; Baghaei, Sh; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Hussein, Rasha Abed, Department of Dentistry, Al-Manara College for Medical Sciences, Amarah, Iraq; Babadoust, Shahram, Department of Medical Biochemical Analysis, Cihan University-Erbil, Erbil, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Faculty of Science and Letters, Pîrî Reis Üniversitesi, Istanbul, Turkey; Baghaei, Sh, Department of Engineering, Islamic Azad University, Tehran, IranThe rise in air pollution and fuel costs increased the use of various renewable energy options. Currently, scientists face a significant challenge. Finding methods to store energy that can be easily converted is crucial. There is growing interest in using phase change materials for thermal energy storage systems. This interest stems from their ability to conserve energy and reduce air pollution. Silica aerogel effectively maintains the temperature of items over long periods. Phase change materials, recognized for storing thermal energy, are now favored for preserving both hot and cold temperatures. This study aimed to use computer simulations to understand the behavior of silica aerogel/PCM and CuO nanoparticles in a cube. The results show that the nanostructure can achieve a velocity of 0.0086 Å/fs and had a thermal conductivity of 1.85 W/m·K. These findings may have practical applications in heating and cooling systems, energy storage, and the aerospace industry. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Effects of thermal shock on the performance of welded metallic compounds: A molecular dynamics approach(Elsevier Ltd, 2025) Wang, Entong; Basem, Ali A.; Hussein, Zahraa Abed; Sawaran Singh, Narinderjit Singh; Al-Rawi, Orabi S.; Abdullaeva, Barno S.; Salahshour, Soheil; Baghaei, Sh; Wang, Entong, Department of Chemical and Materials Engineering, Lyuliang University, Luliang, China; Basem, Ali A., Faculty of Engineering, University of Warith Al-Anbiyaa, Karbala, Iraq; Hussein, Zahraa Abed, Al-Manara College for Medical Sciences, Amarah, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Al-Rawi, Orabi S., Department of Civil Engineering, University of Petra, Amman, Jordan; Abdullaeva, Barno S., Department of Mathematics and Information Technologies, National Pedagogical University of Uzbekistan, Tashkent, Uzbekistan; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Faculty of Science and Letters, Pîrî Reis Üniversitesi, Istanbul, Turkey; Baghaei, Sh, Department of Engineering, Islamic Azad University, Tehran, IranWelded metals exhibit various mechanical properties influenced by multiple factors, with temperature playing a crucial role. Although research exists on the mechanical behavior of welded materials, gaps remain in understanding how thermal shock affects the performance of Cu[sbnd]Ag metallic compounds. This study used molecular dynamics simulations to investigate these effects comprehensively. In the present study, mechanical testing conditions were applied to assess key mechanical constants, including Young's modulus and ultimate strength. The findings show that thermal stress significantly affected the mechanical strength of atomic samples, with ultimate strength increasing from 1389.074 MPa at 350 K to 1426.61 MPa at 450 K. However, increasing the temperature to 500 K caused a decrease in ultimate strength to 1412.74 MPa and in Young's modulus to 93.499 GPa. This behavior illustrated how thermal effects can both enhance particle movement and introduce potential weaknesses at higher temperatures. Additionally, interaction energy decreased from −6657.4512 eV to −6613.2486 eV, indicating increased atomic mobility without disrupting atomic arrangements. The mean square displacement results showed a notable increase after reaching 450 K, reflecting improved atomic mobility. Overall, this study provided valuable insights for optimizing mechanical structures through controlled thermal applications in various industrial contexts. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only The effect of copper oxide nanoparticles on the thermal behavior of silica aerogel/paraffin as a phase change material in a cylindrical channel with molecular dynamics simulation(Elsevier Ltd, 2025) Yang, Jun; Ali, Ali B.M.; Atiah Al-Zahy, Younis M.; Sawaran Singh, Narinderjit Singh; Al-Bahrani, Mohammed; Orlova, Tatyana; Rahimi, Mojtaba; Salahshour, Soheil; Esmaeili, Shadi; Yang, Jun, Yinhe Biomedical Investment Co., Ltd., Beihai, China, School of Microelectronics, Tianjin University, Tianjin, China; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Atiah Al-Zahy, Younis M., Department of Physics, University of Misan, Amarah, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Al-Bahrani, Mohammed, Department of Chemical Engineering and Petroleum Industries, Al-Mustaqbal University, Hillah, Iraq; Orlova, Tatyana, Department of Physics and Teaching Methods, National Pedagogical University of Uzbekistan, Tashkent, Uzbekistan; Rahimi, Mojtaba, Department of Mechanical Engineering, Islamic Azad University, Tehran, Iran; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Faculty of Science and Letters, Pîrî Reis Üniversitesi, Istanbul, Turkey; Esmaeili, Shadi, Fast Computing Center, Tehran, IranThe thermal conductivity of phase change materials was substantially enhanced by nanoparticles, improving the overall performance of thermal energy storage systems through more efficient heat transfer during the phase change process. This study investigates the effect of varying amounts of copper oxide nanoparticles on the thermal behavior of silica aerogel/paraffin as a phase change material in a cylindrical channel. LAMMPS and molecular dynamics simulations were employed to analyze this using a computer program. Results show that the atomic sample density and velocity reached 0.1393 ų and 0.0119 Å/fs, respectively, with the addition of 5% nanoparticles to the target structure. The atomic samples also reached a maximum temperature of 635 K when 5% of nanoparticles were added. The heat flux and thermal conductivity increased from 66.43 W/m2 and 1.74 W/m·K to 71.25 W/m2 and 1.82 W/m·K with a CuO-NP concentration increase of 3%. Adding nanoparticles enhanced thermal conduction, improving the overall interaction between the PCM and the nanoparticles. This led to better thermal contact and reduced thermal resistance at interfaces. However, adding more nanoparticles may lead to agglomeration, where the nanoparticles cluster together instead of remaining evenly dispersed. This can negatively affect thermal properties, as agglomerated particles create larger voids in the material, reducing the effective contact area for heat transfer. Using molecular dynamics simulations provided valuable insights into optimizing nanoparticle concentration for improved thermal performance in energy storage applications. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Modeling the effects of pressure and magnetic field on the phase change of sodium sulfate/magnesium chloride hexahydrate in nanochannels(Elsevier B.V., 2025) Ali, Ali B.M.; Hussein, Rasha Abed; Sawaran Singh, Narinderjit Singh; Salahshour, Soheil; Pirmoradian, Mostafa; Sajadi, S. Mohammad; Deriszadeh, Abbas; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Hussein, Rasha Abed, Department of Dentistry, Al-Manara College for Medical Sciences, Amarah, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Faculty of Science and Letters, Pîrî Reis Üniversitesi, Istanbul, Turkey; Pirmoradian, Mostafa, Department of Mechanical Engineering, Islamic Azad University, Tehran, Iran; Sajadi, S. Mohammad, Department of Chemistry, Payame Noor University, Tehran, Iran; Deriszadeh, Abbas, University of Sistan and Baluchestan, Zahedan, IranThis work examines the impact of different pressure levels (1 to 5 bar) and magnetic field frequencies (0.01 to 0.05 ps⁻¹) on the thermal behavior of sodium sulfate/magnesium chloride hexahydrate as a phase change material inside iron nanochannels, using molecular dynamics simulation. The system's kinetic and potential energies converge to 39.79 eV and -7204.99 eV, indicating the stability of the nanostructures. The impact of pressure and magnetic field frequency on heat flow, maximum temperature, and charge/discharge times was examined. Increasing the pressure from 1 to 5 bar reduced the heat flux and maximum temperature to 1509 W/m² and 391.18 K, respectively. Simultaneously, the charge duration extendes to 3.99 ns, whilst the discharge duration decreases to 4.30 ns. Moreover, increasing the magnetic field frequency from 0.01 to 0.05 ps⁻¹ results in a decrease in maximum temperature and heat flux, which fell to 415.67 K and 1566 W/m², respectively. The charge time decreases to 3.87 ns and the discharge time to 4.50 ns little owing to the increase in frequency. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Prediction and optimization of the temperature distribution in different food products for choosing a suitable geometry in a microwave system(Institution of Chemical Engineers, 2025) Kahbandeh, Faramarz; Khalili, Mohammad; Basem, Ali; Sawaran Singh, Narinderjit Singh; Akbari, Omid Ali; Salahshour, Soheil; Alizadeh, As'ad; Kahbandeh, Faramarz, Samuel Ginn College of Engineering, Auburn, United States; Khalili, Mohammad, Department of Mechanical Engineering, Islamic Azad University, Tehran, Iran; Basem, Ali, Faculty of Engineering, University of Warith Al-Anbiyaa, Karbala, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Akbari, Omid Ali, Department of Mechanical Engineering, Arak University, Arak, Iran; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Research Center of Applied Mathematics, Khazar University, Baku, Azerbaijan; Alizadeh, As'ad, Department of Civil Engineering, Cihan University-Erbil, Erbil, IraqThis study investigated temperature distribution in different food products, microwave oven geometry, and combination heating of MW with direct heat transfer. This research has been done by the finite element numerical method was used to discretize the equations using the COMSOL Multiphysics software. A comparison of 2D and 3D MW simulations showed that 2D modeling of cooking with MW gives completely unacceptable results. In MW cooking, dielectric material temperature is not affected by convection heat transfer around the dielectric material. To prevent cold spots in any part of the food during transportation, it is important to have a homogeneous temperature distribution in the MW. Different inlet surface areas of electromagnetic waves were compared and the maximum average temperature was obtained when the opening width of MW wave entrance was equal to the dielectric medium. If the entrance area of the waves was larger than the dielectric size then the temperature distribution becomes less homogenous. The height of wave entrance of the MW was also considered and when the opening height from the bottom of the MW was equal to the wavelength, then the maximum temperature is obtained. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Mechanical performance of aluminum/copper/aluminum nanocomposite at different temperatures using molecular dynamics simulation(Elsevier B.V., 2025) Sawaran Singh, Narinderjit Singh; Ali, Ali B.M.; Babadoust, Shahram; Hussein, Rasha Abed; Salahshour, Soheil; Baghaei, Sh; Sajadi, S. Mohammad; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Babadoust, Shahram, Department of Medical Biochemical Analysis, Cihan University-Erbil, Erbil, Iraq; Hussein, Rasha Abed, Department of Dentistry, Al-Manara College for Medical Sciences, Amarah, Iraq; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Research Center of Applied Mathematics, Khazar University, Baku, Turkey; Baghaei, Sh, Fast Computing Center, Tehran, Iran; Sajadi, S. Mohammad, Department of Chemistry, Payame Noor University, Tehran, IranWith the expansion of science and technology, the application and importance of composites in various industries increased. Aluminum /copper metal layer composites are widely used for their fracture toughness, corrosion resistance, and high electrical conductivity. This research simulated an Aluminum /copper/Aluminum tri-layer nanocomposite to investigate the effects of different temperatures (T = 300, 350, 375, 400, 450, and 500 K) on its mechanical properties. The stress, strain rate, yield strength, and ultimate strength values were recorded. The results indicate that the physical stability of the sample remained unaffected as temperature increased, while the attraction force among different particles was observed. Furthermore, the simulation results suggest that the mechanical strength of aluminum/copper/aluminum tri-layer nanocomposite decreased with rising initial temperature in the computational box. Specifically, the ultimate strength and Young's modulus of nanocomposites reduced to 2.186 GPa and 12.727 GPa, respectively, at 500 K. Aluminum /copper/Aluminum tri-layer nanocomposite showed promising potential for real-world applications, particularly in sectors requiring materials with enhanced mechanical properties. It is expected that these composites will be utilized in advanced engineering fields, such as aerospace and automotive industries, where their high strength-to-weight ratio and thermal stability can significantly improve performance and efficiency. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Effect of atomic porosity on the mechanical properties of aluminium polycrystalline using molecular dynamics simulation(Elsevier B.V., 2025) Sawaran Singh, Narinderjit Singh; Ali, Ali B.M.; Ameen, Hawzhen Fateh M.; Al-Shati, Ahmed Salah; Salahshour, Soheil; Eftekhari, S. Ali; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Ameen, Hawzhen Fateh M., Department of Petroleum Technology, Erbil Polytechnic University, Erbil, Iraq, Department of Petroleum Engineering, Knowledge University, Erbil, Iraq; Al-Shati, Ahmed Salah, Department of Chemical Engineering and Petroleum Refining, Kut University College, Al Kut, Iraq; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Research Center of Applied Mathematics, Khazar University, Baku, Azerbaijan; Eftekhari, S. Ali, Department of Mechanical Engineering, Islamic Azad University, Tehran, IranMaterials with polycrystals are employed to produce parts that can withstand a range of forces, extreme temperatures, and harsh conditions. The behavior of crystal groups can vary depending on the arrangement of their atoms. Understanding the movement of molecules is crucial in comprehending the behavior of polycrystals. The resistance and durability of the crystals may be influenced by adjusting their configuration. By combining these elements, their longevity can be extended. The strength, flexibility, and environmentally friendly nature of aluminium composite materials make them popular. Knowing how the porosity in the aluminium can influence its durability is essential. Engineers are applying this research to develop strong aluminium in harsh conditions. Investigating the influence of porosity in materials can lead to the production of more robust aluminium parts. In the present study, the effect of atomic porosity on the mechanical properties of aluminium polycrystals is examined using molecular dynamics (MD) simulation. The results show that at a porosity ratio of 20 %, the ultimate strength and Young's modulus of material increase from 6.563 to 27.175 GPa to 6.749 and 29.720 GPa, respectively, due to the optimization of atomic arrangement and fluctuations within the porous sample. However, as the porosity ratio increased to 60 %, the ultimate strength and Young's modulus decrease to 5.064 and 19.649 GPa, respectively, due to the increased porosity and reduced load-bearing atoms. Understanding the influence of porosity on the mechanical properties of aluminium polycrystals is crucial for improving the durability and longevity of aluminum-based components. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Optimizing the thermostat setting points of residential and insulated buildings in the direction of economic efficiency and thermal comfort through advanced multi-purpose techniques(Elsevier Ltd, 2025) He, Peng; Ali, Ali B.M.; Hussein, Zahraa Abed; Sawaran Singh, Narinderjit Singh; Bains, Pardeep Singh; Ravshanbekovna Saydaxmetova, Shaxnoza; Baghoolizadeh, Mohammadreza; Salahshour, Soheil; Alizadeh, As'ad; He, Peng, School of Architecture, Changsha University of Science and Technology, Changsha, China, Hunan Key Laboratory of Land Resources Evaluation and Utilization, Changsha, China; Ali, Ali B.M., Air Conditioning Engineering Department, University of Warith Al-Anbiyaa, Karbala, Iraq; Hussein, Zahraa Abed, Al-Manara College for Medical Sciences, Amarah, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Bains, Pardeep Singh, Department of Mechanical Engineering, JAIN (Deemed-to-be University), Bengaluru, India, Department of Mechanical Engineering, Vivekananda Global University, Jaipur, India; Ravshanbekovna Saydaxmetova, Shaxnoza, Department of Chemistry and Its Teaching Methods, National Pedagogical University of Uzbekistan, Tashkent, Uzbekistan; Baghoolizadeh, Mohammadreza, Department of Mechanical Engineering, Shahrekord University, Shahr-e Kord, Iraq; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Faculty of Science and Letters, Pîrî Reis Üniversitesi, Istanbul, Turkey; Alizadeh, As'ad, Department of Civil Engineering, Cihan University-Erbil, Erbil, IraqThe present research work develops a new approach for the optimization of thermostat setting and insulation designs in residential buildings located in various Iranian climates, including hot-humid, arid, temperate, and cool regions. The objective functions are set to minimize the construction cost, consumed electricity cost, and PPD to improve thermal comfort. Advanced computational techniques are integrated in a structured way to achieve the mentioned objectives. Numerical modeling is done through the simulation of building energy performance and thermal comfort using EnergyPlus. The exact mathematical relations between design variables and objective functions, which were heating setpoint and cooling setpoint, insulation thickness, and thermal conductivity, were identified using Multi-Polynomial Regression. MPR model has been validated respect to a wide set of statistical measures that included but were not limited to R², RMSE, and MAE for its high predictive accuracy. Then, multi-objective optimization is performed through NSGA-II, a well-known multi-objective optimization algorithm, which provides a Pareto front of optimal solutions balancing energy efficiency, cost, and comfort. Shannon's entropy method assigns weights to the Pareto-optimal solutions, whereas the Technique for Order of Preference by Similarity to the Ideal Solution (TOPSIS) selects the most suitable configurations for each city. Calculations show a great reduction in energy consumption to up to 82.66% at Bandar Abbas, with very important improvements in comfort, where the PPD is reduced between 31.1% to 56.3%. The predictive capacity of the MPR model was confirmed by this study, from the value of R², close to 1. The cost-effectiveness of the proposed solutions is underlined by minimizing construction and energy costs while preserving occupant comfort. This innovative approach adapts optimization strategies to regional climatic characteristics, providing practical solutions for sustainable and cost-effective building designs. The integration of advanced machine learning and genetic algorithms offers a scalable framework for future energy-efficient construction practices worldwide, contributing to reduced carbon footprints and enhanced occupant well-being. By addressing the limitations of previous studies and introducing a clear, structured methodology, this research provides valuable insights and practical tools for optimizing residential building performance in diverse climates. © 2025 Elsevier B.V., All rights reserved.Publication Metadata only Modeling the mechanical behavior of platinum-graphene nanocomposites prepared via powder metallurgy at various initial temperatures and pressures(Elsevier Ltd, 2025) Ru, Yi; Basem, Ali A.; Hussein, Rasha Abed; Sawaran Singh, Narinderjit Singh; Al-Bahrani, Mohammed; Salahshour, Soheil; Mokhtarian, Ali; Hekmatifar, Maboud; Wang, Mengxia; Ru, Yi, University of Toronto, Toronto, Canada; Basem, Ali A., Faculty of Engineering, University of Warith Al-Anbiyaa, Karbala, Iraq; Hussein, Rasha Abed, Department of Dentistry, Al-Manara College for Medical Sciences, Amarah, Iraq; Sawaran Singh, Narinderjit Singh, Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia; Al-Bahrani, Mohammed, Department of Chemical Engineering and Petroleum Industries, Al-Mustaqbal University, Hillah, Iraq; Salahshour, Soheil, Faculty of Engineering and Natural Sciences, Istanbul Okan University, Tuzla, Turkey, Faculty of Engineering and Natural Sciences, Bahçeşehir Üniversitesi, Istanbul, Turkey, Research Center of Applied Mathematics, Khazar University, Baku, Turkey; Mokhtarian, Ali, Department of Mechanical Engineering, Islamic Azad University, Tehran, Iran; Hekmatifar, Maboud, Fast Computing Center, Tehran, Iran; Wang, Mengxia, Zhejiang University of Technology, Hangzhou, China, Zhejiang University of Technology, Hangzhou, ChinaIntroduction: This study investigated the mechanical properties of platinum-graphene nanocomposites synthesized through powder metallurgy, focusing on how temperature and pressure affected their behavior. The aim was to understand these influences, which are crucial for industrial and medical applications. Using molecular dynamics simulations, the study investigated to optimize these materials for enhanced performance, particularly in improving the biocompatibility of platinum-based materials for medical use. Development: This study aimed to analyze the impact of various temperatures and pressures on the stress-strain curve, ultimate strength, and Young's modulus of platinum-graphene nanocomposites using molecular dynamics simulations. The study examined how these factors influenced the material's performance under different conditions. Conclusion: The results indicate that ultimate strength decreased from 116 to 105 MPa, and Young's modulus decreased from 1099 to 1000 MPa as temperature increased from 300 to 400 K. This decrease was due to higher temperatures causing increased atomic vibrations and weaker interatomic bonds, reducing resistance to deformation and failure. Similarly, fracture stress decreased from 106.744 to 97.655 MPa, and the strain ratio decreased from 27.15 to 25.92 at the fracture stress point with rising temperature. Conversely, changing the pressure from 1 to 5 bar resulted in an increase in Young's modulus and ultimate strength to 1297 MPa and 137 MPa, respectively. Higher pressure enhanced atomic packing, strengthening interatomic bonds and improving fracture resistance. At 5 bar pressure, fracture stress rose from 106.744 to 119.40 MPa, while the strain ratio at the fracture stress point increased from 27.15 to 31.914. In conclusion, temperature and pressure significantly influenced the mechanical properties of platinum-graphene nanocomposites, impacting their industrial and medical applications. © 2025 Elsevier B.V., All rights reserved.