Mechanical Engineering / Makina Mühendisliği

Permanent URI for this collectionhttps://hdl.handle.net/11147/4129

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Subject: search.filters.subject.Molecular dynamicsWoS Q: search.filters.wosQuartile.Q2

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Now showing 1 - 3 of 3
  • Article
    Citation - WoS: 17
    Citation - Scopus: 18
    Electric Field Controlled Heat Transfer Through Silicon and Nano-Confined Water
    (Taylor & Francis, 2019) Yenigün, Onur; Barışık, Murat
    Nanoscale heat transfer between two parallel silicon slabs filled with deionized water was studied under varying electric field in heat transfer direction. Two oppositely charged electrodes were embedded into the silicon walls to create a uniform electric field perpendicular to the surface, similar to electrowetting-on-dielectric technologies. Through the electrostatic interactions, (i) surface charge altered the silicon/water interface energy and (ii) electric field created orientation polarization of water by aligning dipoles to the direction of the electric field. We found that the first mechanism can manipulate the interface thermal resistance and the later can change the thermal conductivity of water. By increasing electric field, Kapitza length substantially decreased to 1/5 of its original value due to enhanced water layering, but also the water thermal conductivity lessened slightly since water dynamics were restricted; in this range of electric field, heat transfer was doubled. With a further increase of the electric field, electro-freezing (EF) developed as the aligned water dipoles formed a crystalline structure. During EF (0.53 V/nm), water thermal conductivity increased to 1.5 times of its thermodynamic value while Kapitza did not change; but once the EF is formed, both Kapitza and conductivity remained constant with increasing electric field. Overall, the heat transfer rate increased 2.25 times at 0.53 V/nm after which it remains constant with further increase of the electric field.
  • Article
    Citation - WoS: 44
    Citation - Scopus: 47
    Electric Field Controlled Transport of Water in Graphene Nano-Channels
    (American Institute of Physics, 2017) Çelebi, Alper Tunga; Barışık, Murat; Beşkök, Ali
    Motivated by electrowetting-based flow control in nano-systems, water transport in graphene nano-channels is investigated as a function of the applied electric field. Molecular dynamics simulations are performed for deionized water confined in graphene nano-channels subjected to opposing surface charges, creating an electric field across the channel. Water molecules respond to the electric field by reorientation of their dipoles. Oxygen and hydrogen atoms in water face the anode and cathode, respectively, and hydrogen atoms get closer to the cathode compared to the oxygen atoms near the anode. These effects create asymmetric density distributions that increase with the applied electric field. Force-driven water flows under electric fields exhibit asymmetric velocity profiles and unequal slip lengths. Apparent viscosity of water increases and the slip length decreases with increased electric field, reducing the flow rate. Increasing the electric field above a threshold value freezes water at room temperature.
  • Article
    Citation - WoS: 33
    Citation - Scopus: 39
    Molecular Free Paths in Nanoscale Gas Flows
    (Springer Verlag, 2015) Barışık, Murat; Beşkök, Ali
    Average distance traveled by gas molecules between intermolecular collisions, known as the mean free path (MFP), is a key parameter for characterizing gas flows in the entire Knudsen regime. Recent literature presents variations in MFP as a function of the surface confinement, which is in disagreement with the kinetic theory and leads to wrong physical interpretations of nanoscale gas flows. This controversy occurs due to erroneous definition and calculation practices, such as consideration of gas wall collisions, using local bins smaller than a MFP, and utilizing time frames shorter than a mean collision time in the MFP calculations. This study reports proper molecular MFP calculations in nanoscale confinements by using realistic molecular surfaces. We utilize molecular dynamics (MD) simulations to calculate gas MFP in three-dimensional periodic systems of various sizes and for force-driven gas flows confined in nano-channels. Studies performed in the transition flow regime in various size nano-channels and under a range of gas–surface interaction strengths have shown isotropic mean travelled distance and MFP values in agreement with the kinetic theory regardless of the surface forces and surface adsorption effects. Comparison of the velocity profiles obtained in MD simulations with the linearized Boltzmann solutions at predicted Knudsen values shows good agreement in the bulk of the channels, while deviations in the near wall region due to the influence of surface forces are reported.