Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis Molecular Dynamics Simulations of a Cationic Thiophene Oligomer and a Nucleotide Complex(Izmir Institute of Technology, 2022) Demirci, Fethi Can; Elmacı Irmak, Nuran; Elmacı Irmak, NuranIn this thesis, parametrization of cationic polythiophene (CPT) and molecular dynamics (MD) simulations of CPT with DNA complexes were performed to understand the behaviors of the CPT with DNA complex and CPT DNA complexes in different salt solutions (NaCl, KCl, MgCl2, CaCl2). The results of MD simulations show that the end-to-end distance of CPT is affected by both the type sequences and length of the DNA, and the addition of 20T elongates the backbone of the oligomer while 20A and MIX ssDNAs almost have no significant effect. When the complementary DNA chain is added to the duplex solutions, the backbone structure of the oligomer becomes very similar to its structure without ssDNAs since Ree values in both cases are almost the same. It was observed that the CPT-20A complex has a more random coil form than the CPT-20T complex. According to the interaction analysis of MD simulations, all the CPT-DNA duplexes except CPT-20A prefer electrostatic interaction rather than π-cation interaction. DNAs like to interact with the oligomer's side chain rather than its backbone in all systems. Thus, electrostatic interactions and the side chain of oligomer play an important role in the structure of duplexes with thymine which gets the highest response from the oligomer. The addition of 20T makes backbone of F0 more elongated and less compact. 20T has higher electrostatic and π-cation interactions. Thus, F0 is more sensitive to 20T than 20A and MIX.Master Thesis Thermal Performance of Graphene Coating on Copper(Izmir Institute of Technology, 2019) Ersavaş, Gizem; Toprak, Kasım; Çelebi, Cem; Toprak, Kasım; Çelebi, CemOver heat is always a problem for electronic devices because the locally generated heat cannot be transferred appropriately to the corresponding heat sink fast enough. This situation leads to affect materials’ structures, mechanical properties and conductivities badly. In order to avoid this problem, high thermal conductivity materials are used to dissipate the heat quickly. Thanks to the development of technology, the size of the electronic devices is reduced day by day. This also shrinks the size of the interconnect components. So this situation leads to researchers to investigate nano-sized interconnect components and copper, which is a widely used material, is one of them. Copper is one of the preferred metals for electronic devices because of high thermal conductivity, easy processability, and high use in daily life and industry. For example, copper components, which is used in electronic, are getting so thin and must carry so much current. And that causes to increase friction. Thus heat is occurred. Consequently, cooling problems have arisen. And if the material’s cooling problem won’t be solved then the material can be damaged. It is thought that to overcome this problem, coating with a high thermal conductivity material such as graphene, the thermal conductivity can be improved. In this study, thermal performance of graphene-coated copper were investigated numerically and experimentally. This study consist of two main sections. The first part, MD simulation code was created using C++ programming language to investigate thermal conductivity of copper, different number of graphene layers and these graphene layers were coated on copper in different length, width, height and temperature. In the second part, the thermal performance of pure copper, annealed copper, a layer of graphene-coated copper, and multilayer graphene-coated copper was studied by the experimental setup at three different temperatures and volume flow rates.