Examination of the mechanical properties of porous carbon matrix by considering the Nanovoids: A computational study using molecular dynamics simulation

dc.authorscopusid59424348000
dc.authorscopusid59375113300
dc.authorscopusid58095478400
dc.authorscopusid57431228000
dc.authorscopusid59303006900
dc.authorscopusid59424071600
dc.authorscopusid23028598900
dc.contributor.authorSun, Shuai
dc.contributor.authorAli, Ali B. M.
dc.contributor.authorBabadoust, Shahram
dc.contributor.authorAl-Zahiwat, Murtadha M.
dc.contributor.authorKumar, Raman
dc.contributor.authorChaudhary, Rahul Raj
dc.contributor.authorEmami, Nafiseh
dc.date.accessioned2024-12-15T15:40:58Z
dc.date.available2024-12-15T15:40:58Z
dc.date.issued2025
dc.departmentOkan Universityen_US
dc.department-temp[Sun, Shuai] Shandong Huayu Univ Technol, Sch Energy & Construct, Dezhou 253034, Shandong, Peoples R China; [Ali, Ali B. M.] Univ Warith Al Anbiyaa, Coll Engn, Air Conditioning Engn Dept, Karbala, Iraq; [Babadoust, Shahram] Cihan Univ Erbil, Dept Med Biochem Anal, Erbil, Kurdistan Reg, Iraq; [Al-Zahiwat, Murtadha M.] Univ Misan, Coll Engn, Dept Chem Engn, Amarah, Iraq; [Kumar, Raman] Rayat Bahra Univ, Univ Sch Mech Engn, Kharar 140103, Punjab, India; [Kumar, Raman] Sohar Univ, Fac Engn, POB 44,PCI, Sohar 311, Oman; [Chaudhary, Rahul Raj] Chitkara Univ, Inst Engn & Technol, Ctr Res Impact & Outcome, Rajpura 140401, Punjab, India; [Abduvalieva, Dilsora] Tashkent State Pedag Univ, Dept Math & Informat Technol, Bunyodkor Ave 27, Tashkent 100070, Uzbekistan; [Salahshour, Soheil] Istanbul Okan Univ, Fac Engn & Nat Sci, Istanbul, Turkiye; [Salahshour, Soheil] Bahcesehir Univ, Fac Engn & Nat Sci, Istanbul, Turkiye; [Salahshour, Soheil] Lebanese Amer Univ, Dept Comp Sci & Math, Beirut, Lebanon; [Emami, Nafiseh] Isfahan Univ, Fac Engn, Dept Chem Engn, Esfahan, Iranen_US
dc.description.abstractThis study explored the effect of nanovoid size on the mechanical properties of polymer-carbon matrices through detailed molecular dynamics simulations. The investigation focused on spherical nanovoids with radii of 5, 7, 10, 12, and 15 & Aring;, evaluating their effects on critical mechanical properties, such as Young's modulus and ultimate strength. The Tersoff potential was employed to accurately model the atomic and mechanical behavior of the polymer-carbon matrix, considering the presence of these nanovoids. The simulation results indicate that the potential energy and total energy stabilized at-132,279.23 eV and- 131,522.4 eV, respectively, confirming the physical stability of simulated samples. On the other hand, the findings reveal that for a nanovoid radius of 5 & Aring;, the ultimate strength and Young's modulus were 36.41 GPa and 424.93 GPa, respectively. As the radius of nanovoids increased from 5 & Aring; to 15 & Aring;, both ultimate strength and Young's modulus exhibited a decreasing trend, with values dropping from 36.41 GPa and 424.93 GPa to 31.18 GPa and 364.39 GPa, respectively. Moreover, larger nanovoids contributed to increased flexibility and a higher critical strain in the polymer-carbon matrix. This systematic analysis of nanovoid size effects provided a new perspective on void engineering within composites. By enhancing the theoretical understanding of how void dimensions affected material properties, the study offered significant insights for optimizing the mechanical performance of advanced materials and advancing the field of structural engineering.en_US
dc.description.woscitationindexScience Citation Index Expanded
dc.identifier.citation0
dc.identifier.doi10.1016/j.icheatmasstransfer.2024.108399
dc.identifier.issn0735-1933
dc.identifier.issn1879-0178
dc.identifier.scopus2-s2.0-85210137611
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.icheatmasstransfer.2024.108399
dc.identifier.urihttps://hdl.handle.net/20.500.14517/7523
dc.identifier.volume160en_US
dc.identifier.wosWOS:001367891800001
dc.identifier.wosqualityQ1
dc.language.isoenen_US
dc.publisherPergamon-elsevier Science Ltden_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPorous carbonen_US
dc.subjectNanovoiden_US
dc.subjectMechanical propertiesen_US
dc.subjectMolecular dynamicsen_US
dc.subjectYoung's modulusen_US
dc.titleExamination of the mechanical properties of porous carbon matrix by considering the Nanovoids: A computational study using molecular dynamics simulationen_US
dc.typeArticleen_US
dspace.entity.typePublication

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