Thermal Interface Resistance between Liquid Water and Face Centered Cubic Transitional Metals: Non-Equilibrium Molecular Dynamics Simulation
| dc.contributor.advisor | Bayazitoglu, Yildiz | en_US |
| dc.creator | Aksoy, Muhammed Murat | en_US |
| dc.date.accessioned | 2022-11-09T19:29:43Z | en_US |
| dc.date.available | 2022-11-09T19:29:43Z | en_US |
| dc.date.created | 2021-05 | en_US |
| dc.date.issued | 2021-02-19 | en_US |
| dc.date.submitted | May 2021 | en_US |
| dc.date.updated | 2022-11-09T19:29:43Z | en_US |
| dc.description.abstract | Energy systems in nano devices constantly demand new developments and shifts in the technology. Thermal interface resistance is one of those developments that is significant in understanding and tackling thermal transport technologies in nano scales. The thermal transport at the interfaces of solids and liquids has been a measurement challenge for various nano scale applications even though it is widely investigated with numerous techniques. One of the most convenient methods is to conduct Molecular Dynamics (MD) simulation. Non-equilibrium MD method also provides efficient and accurate results for the thermal systems. Therefore, we have applied a non-equilibrium MD method to investigate the Interfacial Thermal Resistance (ITR) between liquid water and solid Face Centered Cubic (FCC) transient metals. At first, we have comprehensively evaluated ITR (or Kapitza resistance) of gold (Au) and silver (Ag) metal nano channels filled with liquid water. We have compared our results and observed a good agreement with the available literature albeit the notable differences at the beginning of the problem. In this first section of the thesis, we have revealed the indirect relation of temperature and heat flux for the current Au and Ag nano channels. Furthermore, we increased the number of temperature profiles to understand the direct relation of ITR between temperature and heat flux in nano scales. We subsequently carried out non-equilibrium MD simulation for platinum (Pt), lead (Pb), palladium (Pd), and nickel (Ni) metals placed on each side of water creating a nano channel system. The mean temperature of water is kept constant among the solid walls during the simulations and it has changed from 300 K to 600 K with an increment of 50 K. We finally concluded a direct relation of ITR between temperature and heat flux by applying ordinary least square regression to create a linear function of ITR. With the new parameters of ITR function for these four metals, we have a novel perspective for the implementation of one-dimensional heat conduction in nano scales. Lastly, we have observed the contact angles of water on transient FCC metals and analyzed the differences with the literature. This gives us another different perspective to evaluate the wettability for future studies. Overall, understanding thermal interfaces between water and these metals enable us to design more energy efficient nano devices especially in thermal design applications. | en_US |
| dc.format.mimetype | application/pdf | en_US |
| dc.identifier.citation | Aksoy, Muhammed Murat. "Thermal Interface Resistance between Liquid Water and Face Centered Cubic Transitional Metals: Non-Equilibrium Molecular Dynamics Simulation." (2021) Diss., Rice University. <a href="https://hdl.handle.net/1911/113883">https://hdl.handle.net/1911/113883</a>. | en_US |
| dc.identifier.uri | https://hdl.handle.net/1911/113883 | en_US |
| dc.language.iso | eng | en_US |
| dc.rights | Copyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder. | en_US |
| dc.subject | Interfacial Thermal resistance | en_US |
| dc.subject | Kapitza resistance | en_US |
| dc.subject | Contact angle | en_US |
| dc.subject | Molecular Dynamics simulation | en_US |
| dc.subject | Metal | en_US |
| dc.subject | Water | en_US |
| dc.subject | Nanochannel | en_US |
| dc.title | Thermal Interface Resistance between Liquid Water and Face Centered Cubic Transitional Metals: Non-Equilibrium Molecular Dynamics Simulation | en_US |
| dc.type | Thesis | en_US |
| dc.type.material | Text | en_US |
| thesis.degree.department | Mechanical Engineering | en_US |
| thesis.degree.discipline | Engineering | en_US |
| thesis.degree.grantor | Rice University | en_US |
| thesis.degree.level | Doctoral | en_US |
| thesis.degree.name | Doctor of Philosophy | en_US |
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