Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis Molecular Dynamics Studies on Heat Transfer Control Between Water and Silica Using Nanoscale Surface Patterns(01. Izmir Institute of Technology, 2020) Özen, Celal Can; Barışık, Murat; Barışık, MuratDue to recent advances in manufacturing, component sizes have tremendously decreased in computer electronics and communication devices. Miniaturization has led to a substantial increase in memory and computational power but also created heat dissipation problems. Understanding heat transfer and temperature distribution in these devices became crucial for thermal management. At nanoscale, heat transfer through dielectric materials is mostly determined by phonon transport. The phonon passage is interrupted through the interfaces which creates temperature jumps and dominates the heat transfer rates at nanoscale. Kapitza length characterizes the interfacial thermal resistance as a function of temperature jump at the solid-liquid interface. In this study, heat transfer from different nanoscale surface structures were investigated using Molecular Dynamics simulations. The systems were created by two parallel silica walls and water between them. Kapitza length values were calculated for seven different surface conditions for two different molecular surface interaction strength parameters yielding high and low wetting conditions. Measured Kapitza length values were characterized based on cavity width (w), cavity height (h), and unit crystal cavity volume (Vc). While the increase in pattern cavity width increased Kapitza length, increasing pattern cavity height decreased Kapitza value. However, a general characterization based on cavity volume could not be obtained. Instead, almost a uniform behavior was observed through the variation of Kapitza length of different size patterns as a function of Ac=Vch/w^2. Kapitza length decreased by approximately 19% and 29% for high and low wetting conditions, respectively, when Ac increased. Then, similar characterizations were done for variation of heat flux. Overall, heat flux increased by approximately 20% and 30% for high and low wetting conditions, respectively, when Ac increased. Results are important to better understand and control heat transfer between water and silica using nanoscale surface patterns.Master Thesis Molecular Dynamics Studies on Wetting Behavior of Silicon Surfaces and Heat Transfer Characteristics of Electrolyte Solution Filled Silicon Nano-Channels(Izmir Institute of Technology, 2020) Özdemir, Abdullah Cihan; Barışık, Murat; Barışık, MuratSilicon has always been of interest to researchers from various fields, especially the semiconductor industry. Silicon and silicon-based materials are frequently used in integrated circuits and micro/nano-electro-mechanical systems. Interfacial phenomena between phases is important for these applications. In this study, surface wetting and heat transfer at the solid/liquid interfacial region were investigated using the Molecular Dynamics method. The control of wetting was examined by changing silicon structure at single crystal and amorphous forms and was correlated with the surface coating thickness. Contact angles on both single crystal and amorphous surfaces were calculated. To understand the molecular regions affecting the contact angle, the near interface height parameter was defined as the distance from the surface. Then, interface densities and contact angles of single crystal and amorphous structures were calculated at each height parameter. We defined an effective range of intermolecular forces for the control of wetting. Second, heat transfer characteristics at water/silicon interfaces were examined. Solid/liquid interface is important to determine heat transfer at nanoscale. We focused on the influence of ionic conditions on heat transfer for a water-NaCl solution between two silicon walls. The surface charge density showed variation by ionic condition. We calculated surface charges naturally forming at the corresponding electrolyte concentration. With the increase in salinity, the electrolyte solution density increased and thermal conductivity decreased. Results showed good agreement with the experimental measurements. Additionally, we observed a 35% increase in heat transfer due to a decrease in interfacial thermal resistance by increasing ionic concentration to the highest salinity value of standard conditions. Heat transfer at solid/liquid interface characterized by Kapitza length was correlated with the salinity.