Theoretical investigation of the nanotribological properties of the hexagonal boron nitride and gold interfaces

Download
2020
Özcan, Gize
Frictional properties of two-dimensional structures on the nanoscale have gained importance, especially in the last decades, and a considerable amount of research is carried on to understand the interaction between their interfaces with well known lubricants. In industrial developments, these materials’ interfacial properties on metals have great importance. Therefore, in this thesis, we theoretically investigated the hexagonal BN and Au(111) interface with using molecular dynamics simulation. Calculation results have shown that the friction coefficient decreases with increasing load and a noticeable dependence on temperature is observed. We observed that the nanotribology properties of these two samples highly depend on sliding velocity, orientation and direction and also depend on the sizes, edges, and shapes of h-BN flake.

Suggestions

Modeling of spherulite microstructures in semicrystalline polymers
Oktay, H. Emre; Gürses, Ercan (2015-11-01)
Semicrystalline polymers are composed of crystalline structures together with amorphous polymer chain networks and therefore they exhibit deformation mechanisms of both crystalline materials and amorphous polymers. One of the most common microstructures observed in semicrystalline polymers is the spherulite microstructure in which crystalline lamellae are embedded in a matrix of amorphous material and grow out from a common central nucleus in radial directions. The mechanical behavior of semicrystalline pol...
Structural Vibration Analysis of Single Walled Carbon Nanotubes with Atom Vacancies
Dogan, Ibrahim Onur; Yazıcıoğlu, Yiğit (2014-11-01)
Recent investigations in nanotechnology show that carbon nanotubes have significant mechanical, electrical and optical properties. Interactions between those are also promising in both research and industrial fields. Those unique characteristics are mainly due to the atomistic structure of carbon nanotubes. In this paper, the structural effects of vacant atoms on single walled carbon nanotubes are investigated using matrix stiffness method. In order to use this technique, a linkage between structural mechan...
Investigation of bismuth doped bioglass/graphene oxide nanocomposites for bone tissue engineering
Pazarçeviren, Ahmet Engin; Tezcaner, Ayşen; Keskin, Dilek; Evis, Zafer (2018-03-01)
In this study, bismuth doped 45S5 nanobioactive bioglass (nBG) and graphene oxide (GO) nanocomposites were developed and characterized in terms of microstructural, mechanical, bioactivity and biological properties. Bismuth (Bi) - doped nBG was synthesized by sol-gel method and sintered at 600 degrees C for 2 h. Nanosized GO was homogeneously mixed with Bi doped bioglass at various ratios to prepare nanocomposites. Addition of Bi increased the density of nBG samples while a considerable decrease in density w...
Peptide stapling by late-stage Suzuki-Miyaura cross-coupling
Gruss, Hendrik; Feiner, Rebecca C.; Mseya, Ridhiwan; Schroeder, David C.; Jewginski, Michat; Mueller, Kristian M.; Latajka, Rafat; Marıon, Antoıne; Sewald, Norbert (2022-01-01)
The development of peptide stapling techniques to stabilise alpha-helical secondary structure motifs of peptides led to the design of modulators of protein-protein interactions, which had been considered undruggable for a long time. We disclose a novel approach towards peptide stapling utilising macrocyclisation by late-stage Suzuki-Miyaura cross-coupling of bromotryptophan-containing peptides of the catenin-binding domain of axin. Optimisation of the linker length in order to find a compromise between both...
Quantum chemical investigation of thalidomide molecule
Erkoç, Şakir; Erkoc, F (Elsevier BV, 2005-04-14)
The structural and electronic properties of the thalidomide molecule have been investigated theoretically by performing semi-empirical molecular orbital (AM1) and density functional theory calculations. The geometry of the molecule has been optimized by AM1 method and the electronic properties of the molecule have been calculated by density functional theory in its ground state.
Citation Formats
G. Özcan, “Theoretical investigation of the nanotribological properties of the hexagonal boron nitride and gold interfaces,” Thesis (M.S.) -- Graduate School of Natural and Applied Sciences. Physics., Middle East Technical University, 2020.