Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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  • Article
    Citation - WoS: 40
    Citation - Scopus: 38
    Anisotropic and Outstanding Mechanical, Thermal Conduction, Optical, and Piezoelectric Responses in a Novel Semiconducting Bcn Monolayer Confirmed by First-Principles and Machine Learning
    (Elsevier, 2022) Mortazavi, Bohayra; Fazel Shojaei; Yağmurcukardeş, Mehmet; Alexander Shapeev; Xiaoying Zhuang
    Graphene-like nanomembranes made of the neighboring elements of boron, carbon and nitrogen elements, are well-known of showing outstanding physical properties. Herein, with the aid of density functional theory (DFT) calculations, various atomic configurations of the graphene-like BCN nanosheets are investigated. DFT results reveal that depending on the atomic arrangement, the BCN monolayers may display semimetallic Dirac cone or semiconducting electronic nature. BCN nanosheets are also found to exhibit high piezoelectricity and carrier mobilities with considerable in-plane anisotropy, depending on the atomic arrangement. For the predicted most stable BCN monolayer, thermal and mechanical properties are explored using machine learning interatomic potentials. The room temperature tensile strength and lattice thermal conductivity of the most stable BCN monolayer are estimated to be orientation-dependent and remarkably high, over 78 GPa and 290 W/m.K, respectively. In addition, the thermal expansion coefficient of the monolayer BCN at room temperature is estimated to be −3.2 × 10−6 K−1, which is close to that of the graphene. The piezoelectric response of the herein proposed BCN lattice is also predicted to be close to that of the h-BN monolayer. Presented results highlight outstanding physics of the BCN nanosheets.
  • Article
    Citation - WoS: 12
    Citation - Scopus: 13
    A General Expression for the Stagnant Thermal Conductivity of Stochastic and Periodic Structures
    (The American Society of Mechanical Engineers(ASME), 2018) Bai, X.; Çelik, Hasan; Mobedi, Moghtada; Nakayama, Akira
    A general expression has been obtained to estimate thermal conductivities of both stochastic and periodic structures with high-solid thermal conductivity. An air layer partially occupied by slanted circular rods of high-thermal conductivity was considered to derive the general expression. The thermal conductivity based on this general expression was compared against that obtained from detailed three-dimensional numerical calculations. A good agreement between two sets of results substantiates the validity of the general expression for evaluating the stagnant thermal conductivity of the periodic structures. Subsequently, this expression was averaged over a hemispherical solid angle to estimate the stagnant thermal conductivity for stochastic structures such as a metal foam. The resulting expression was found identical to the one obtained by Hsu et al., Krishnan et al., and Yang and Nakayama. Thus, the general expression can be used for both stochastic and periodic structures.