Stability and deformation behavior of three-dimensional diamond-like carbon phases under compression

Autor:	L. Kh. Rysaeva
Rok vydání:	2020
Předmět:	History Materials science Diamond-like carbon Deformation (meteorology) Composite material Compression (physics) Stability (probability) Computer Science Applications Education
Zdroj:	Journal of Physics: Conference Series. 1435:012066
ISSN:	1742-6596 1742-6588
DOI:	10.1088/1742-6596/1435/1/012066
Popis:	Diamond-like phases which are three-dimensional carbon nanostructures consist of sp 3-hybridized atoms is of high interest in terms of their mechanical properties. The important issues are the stability of such novel structures and their deformation behavior under various conditions. In the present work, the molecular dynamics method is used to study diamond-like phases of two classes: fulleranes and tubulanes. Twelve stable structures are found Studying the deformation behavior shows that some phases have a very small elastic regime which not allow calculating elastic constants. Under hydrostatic compression, the main deformation mechanisms are changing the lattice parameters and valent angles. At high pressure, transformation to the amorphous phase takes place for several diamond-like phases.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c043245d487421c5038d51299a2a3272 https://doi.org/10.1088/1742-6596/1435/1/012066 Zobrazit plný text záznamu