Develop dissipative particle dynamics method to study the fluid flow and heat transfer of Ar and O 2 flows in the micro-
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Develop dissipative particle dynamics method to study the fluid flow and heat transfer of Ar and O2 flows in the micro‑ and nanochannels with precise atomic arrangement versus molecular dynamics approach Abdolmajid Taghipour1 · Arash Karimipour1 · Masoud Afrand1 · Somaye Yaghoubi1 · Mohammad Akbari1 Received: 31 August 2020 / Accepted: 3 October 2020 © Akadémiai Kiadó, Budapest, Hungary 2020
Abstract Fluid atomic behavior is an important factor for industrial applications. Computer simulations based on simple models predict Poiseuille flow for these atomic structures with the presence of external force. In this work, we describe the dynamical properties of Ar and O 2 flows with precise atomic arrangement via dissipative particle dynamics (DPD) and molecular dynamics (MD) simulation approaches. In these methods, each model is represented by using Large-scale Atomic/Molecular Massively Parallel Simulator package. Simulation results show that maximum rate for velocity of Ar flow in platinum and copper microchannels is 0.100 (unit less)/0.091 Å ps−1 and 0.121 (unit less)/0.105 Å ps−1 by using DPD/MD approach. This atomic parameter changes to 0.111 (unit less)/0.102 Å ps−1 and 0.125 (unit less)/0.108 Å ps−1 for O2 fluid with mentioned approaches. By decreasing the microchannel size, the maximum rate of velocity reaches to 0.101 (unit less)/0.099 Å ps−1 and maximum temperature rate decreases to 485 (unit less)/440 K with DPD/MD approaches. These calculated parameters can be used in industrial application designing for some processes such as heat transfer in structures. It was seen that the developed DPD approach was able to simulate the fluid flow and heat transfer of various types of fluids at micro- and nanoscales with suitable accuracy versus MD. Keywords Dissipative particle dynamics (DPD) · Molecular dynamics (MD) · Microchannel · Nanochannel
Introduction Fluid analyzing in various channels at atomic scales is a challenging procedure because of the difficulty of particles interaction [1–7]. In principle, molecular dynamics (MD) method can be used to exactly describe the various structures and fluids, but it is computationally heavy process. In this method, as a result of interaction between atoms, an insight into the time evolution of the whole atomic system is gained. For computations of the atom’s motion through time, Newton’s second law at the atomic level is used as the gradient of the interatomic potential function. This computational method is used for various fluid study by atomic accuracy. Zheng et al. [8] simulated the nanofluid thermal * Arash Karimipour [email protected] 1
Department of Mechanical Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Iran
and atomic behavior in non-ideal channel. Results of this study show the molecular dynamics of good accuracy for fluids simulation. Mosavi et al. [9] reported the Poiseuille water based-nanofluid flows in nanochannels. The results of this research show the importance of nanochannels atomic arrangement in nanofluid behavio
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