Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields
Aerogels are extremely porous, low-density solids with distinct thermal and mechanical characteristics. The addition of phase change materials (PCMs), such as paraffin, to silica aerogels, may greatly improve their functioning, especially for thermal energy applications. This work examines the mecha...
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| Language: | English |
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Elsevier
2025-09-01
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| Series: | Results in Engineering |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123025026787 |
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| author | Ali B.M. Ali Sanaa.A. Hafad Narinderjit Singh Sawaran Singh Ahmed Mohsin Alsayah Soheil Salahshour S. Mohammad Sajadi Rozbeh Sabetvand |
| author_facet | Ali B.M. Ali Sanaa.A. Hafad Narinderjit Singh Sawaran Singh Ahmed Mohsin Alsayah Soheil Salahshour S. Mohammad Sajadi Rozbeh Sabetvand |
| author_sort | Ali B.M. Ali |
| collection | DOAJ |
| description | Aerogels are extremely porous, low-density solids with distinct thermal and mechanical characteristics. The addition of phase change materials (PCMs), such as paraffin, to silica aerogels, may greatly improve their functioning, especially for thermal energy applications. This work examines the mechanical performance of paraffin-reinforced silica aerogel (PRSA) in the presence of external electric fields, using molecular dynamics simulation to investigate the effects on stress-strain behavior, ultimate strength (US), Young's modulus (YM), and interaction energy. Simulations are conducted using electric field strengths ranging from 0.1 to 1.0 eV/Å. The findings show a significant improvement in mechanical characteristics as the electric field strength rises. The composite's ultimate strength increases from 389.74 MPa at 0.1 eV/Å to 638.95 MPa at 1.0 eV/Å, while Young's modulus increases from 1001.19 MPa to 2178.11 MPa within the same range. These improvements suggested that the external electric field efficiently enhanced molecular interactions inside the composite, as seen by continuously negative interaction energy values ranging from -40.44 eV to -42.08 eV. This work shows that using an external electric field was a potential technique for improving the thermomechanical strength of PRSA. The results give useful insights for creating improved aerogel composites with customized mechanical characteristics, which might benefit a wide range of industrial and scientific applications that demand increased durability and performance under mechanical stress. |
| format | Article |
| id | doaj-art-b803a7e9f1874e5286beb6b9d678b86f |
| institution | Kabale University |
| issn | 2590-1230 |
| language | English |
| publishDate | 2025-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Engineering |
| spelling | doaj-art-b803a7e9f1874e5286beb6b9d678b86f2025-08-20T03:59:37ZengElsevierResults in Engineering2590-12302025-09-012710660910.1016/j.rineng.2025.106609Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fieldsAli B.M. Ali0Sanaa.A. Hafad1Narinderjit Singh Sawaran Singh2Ahmed Mohsin Alsayah3Soheil Salahshour4S. Mohammad Sajadi5Rozbeh Sabetvand6Air Conditioning Engineering Department, College of Engineering, University of Warith Al-Anbiyaa, Karbala, IraqEnergy and Renewable Energies Technology Center, University of Technology- Iraq, Baghdad, IraqFaculty of Data Science and Information Technology, INTI International University, Persiaran Perdana BBN, Putra Nilai, Nilai 71800, MalaysiaRefrigeration &Air-condition Department, Technical Engineering College, The Islamic University, Najaf, IraqFaculty of Engineering and Natural Sciences, Istanbul Okan University, Istanbul, Turkey; Faculty of Engineering and Natural Sciences, Bahcesehir University, Istanbul, Turkey; Research Center of Applied Mathematics, Khazar University, Baku, AzerbaijanDepartment of Chemistry, Payam e Noor University, Saqqez Branch, Saqqez, Kurdistan, IranFast Computing Center, Shabihsazan Ati Pars, Tehran, Iran; Corresponding author.Aerogels are extremely porous, low-density solids with distinct thermal and mechanical characteristics. The addition of phase change materials (PCMs), such as paraffin, to silica aerogels, may greatly improve their functioning, especially for thermal energy applications. This work examines the mechanical performance of paraffin-reinforced silica aerogel (PRSA) in the presence of external electric fields, using molecular dynamics simulation to investigate the effects on stress-strain behavior, ultimate strength (US), Young's modulus (YM), and interaction energy. Simulations are conducted using electric field strengths ranging from 0.1 to 1.0 eV/Å. The findings show a significant improvement in mechanical characteristics as the electric field strength rises. The composite's ultimate strength increases from 389.74 MPa at 0.1 eV/Å to 638.95 MPa at 1.0 eV/Å, while Young's modulus increases from 1001.19 MPa to 2178.11 MPa within the same range. These improvements suggested that the external electric field efficiently enhanced molecular interactions inside the composite, as seen by continuously negative interaction energy values ranging from -40.44 eV to -42.08 eV. This work shows that using an external electric field was a potential technique for improving the thermomechanical strength of PRSA. The results give useful insights for creating improved aerogel composites with customized mechanical characteristics, which might benefit a wide range of industrial and scientific applications that demand increased durability and performance under mechanical stress.http://www.sciencedirect.com/science/article/pii/S2590123025026787External electric fieldMechanical PropertiesSilica aerogelMolecular Dynamics simulation |
| spellingShingle | Ali B.M. Ali Sanaa.A. Hafad Narinderjit Singh Sawaran Singh Ahmed Mohsin Alsayah Soheil Salahshour S. Mohammad Sajadi Rozbeh Sabetvand Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields Results in Engineering External electric field Mechanical Properties Silica aerogel Molecular Dynamics simulation |
| title | Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields |
| title_full | Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields |
| title_fullStr | Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields |
| title_full_unstemmed | Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields |
| title_short | Molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields |
| title_sort | molecular dynamics study of thermomechanical strength enhancement in silica aerogel reinforced with paraffin under external electric fields |
| topic | External electric field Mechanical Properties Silica aerogel Molecular Dynamics simulation |
| url | http://www.sciencedirect.com/science/article/pii/S2590123025026787 |
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