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Investigation the atomic arrangement and stability of the fluid inside a rough nanochannel in both presence and absence of different roughness by using of accurate nano scale simulation

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  • Alipour, Pedram
  • Toghraie, Davood
  • Karimipour, Arash

Abstract

The present study used molecular dynamics (MD) simulation to study the effects of external forces on the fluid flow passing through a nanochannel with different shapes of the interior wall. To this end, molecular dynamics simulation was employed to investigate the atomic arrangement and stability of the fluid inside a nanochannel in both presence and absence of rectangular and square cuboid, ellipsoid, and hemispheroid roughness. Moreover, the number density, velocity and temperature of argon flowing inside a Platinum nanochannel were investigated for a time step of 1,000,000 at external forces of 0.002, 0.0018, 0.0017, and 0.0014 eV/Å. The results obtained for each of the aforementioned models were compared with respect to the different thrust forces. Our results show that as the driving force increases from 0.0014 to 0.002 eV/Å, the velocity at the center of the nanochannel is increased approximately from 1.7 to 3.6 Å/ps while the velocity near the wall increases approximately from 0.5 to 1.4 Å/ps. Also, the temperature at the center of the nanochannel increases approximately from 355.2 to 536 K while the temperature near the wall increases approximately from 206.5 to 237.6 K.

Suggested Citation

  • Alipour, Pedram & Toghraie, Davood & Karimipour, Arash, 2019. "Investigation the atomic arrangement and stability of the fluid inside a rough nanochannel in both presence and absence of different roughness by using of accurate nano scale simulation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 524(C), pages 639-660.
    • Handle: RePEc:eee:phsmap:v:524:y:2019:i:c:p:639-660
    DOI: 10.1016/j.physa.2019.04.243
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    References listed on IDEAS

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    1. Ahmadi Balootaki, Azam & Karimipour, Arash & Toghraie, Davood, 2018. "Nano scale lattice Boltzmann method to simulate the mixed convection heat transfer of air in a lid-driven cavity with an endothermic obstacle inside," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 508(C), pages 681-701.
    2. Hemmat Esfe, Mohammad & Hajmohammad, Hadi & Toghraie, Davood & Rostamian, Hadi & Mahian, Omid & Wongwises, Somchai, 2017. "Multi-objective optimization of nanofluid flow in double tube heat exchangers for applications in energy systems," Energy, Elsevier, vol. 137(C), pages 160-171.
    3. Nemati, Maedeh & Shateri Najaf Abady, Ali Reza & Toghraie, Davood & Karimipour, Arash, 2018. "Numerical investigation of the pseudopotential lattice Boltzmann modeling of liquid–vapor for multi-phase flows," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 489(C), pages 65-77.
    4. Karimipour, Arash & Hemmat Esfe, Mohammad & Safaei, Mohammad Reza & Toghraie Semiromi, Davood & Jafari, Saeed & Kazi, S.N., 2014. "Mixed convection of copper–water nanofluid in a shallow inclined lid driven cavity using the lattice Boltzmann method," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 402(C), pages 150-168.
    5. Goodarzi, Marjan & D’Orazio, Annunziata & Keshavarzi, Ahmad & Mousavi, Sayedali & Karimipour, Arash, 2018. "Develop the nano scale method of lattice Boltzmann to predict the fluid flow and heat transfer of air in the inclined lid driven cavity with a large heat source inside, Two case studies: Pure natural ," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 509(C), pages 210-233.
    6. Safaei, Mohammad Reza & Karimipour, Arash & Abdollahi, Ali & Nguyen, Truong Khang, 2018. "The investigation of thermal radiation and free convection heat transfer mechanisms of nanofluid inside a shallow cavity by lattice Boltzmann method," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 509(C), pages 515-535.
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