Mühendislik Fakültesi

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Browsing Mühendislik Fakültesi by Journal "Computational Materials Science"

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    Citation - WoS: 5
    Citation - Scopus: 5
    Formation of a Very High-Density Amorphous Phase of Carbon and Its Crystallization into a Simple Cubic Structure at High Pressure
    (Elsevier B.V., 2021) Durandurdu, M.; AGÜ, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü; Durandurdu, Murat; 01. Abdullah Gül University; 02.07. Malzeme Bilimi ve Nanoteknoloji Mühendisliği; 02. Mühendislik Fakültesi
    We report a direct computational evidence of a two-step transformation sequence for tetrahedral amorphous carbon (ta-C) with increasing pressure. First, ta-C gradually transforms into a very high-density amorphous phase (VHDA) phase. Second, the VDHA phase converts into a simple cubic (SC) crystal. The structural defects formed during the high-pressure treatment play important roles for the formation and stabilization of the SC structure, rather than favorable the SC4 crystal. These phase transformations are reversible. © 2021 Elsevier B.V., All rights reserved.