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Theoretical hardness and ideal tensile strength of bct‐C 4
Author(s) -
Xu Yuanhui,
Gao Faming,
Hao Xianfeng
Publication year - 2010
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201004187
Subject(s) - tetragonal crystal system , vickers hardness test , ultimate tensile strength , ideal (ethics) , materials science , diamond , shear modulus , elastic modulus , phase (matter) , crystallography , thermodynamics , composite material , chemistry , crystal structure , microstructure , physics , philosophy , organic chemistry , epistemology
Based on first‐principles calculations we investigated the structural and electronic properties for a new carbon phase with body‐centered tetragonal structure, bct‐C 4 . The single‐elastic constants calculations reveal that bct‐C 4 is mechanically stable under ambient conditions, being consistent with a previous theoretical study. The predicted bulk and shear moduli are 396 GPa and 423 GPa, respectively. The calculated ideal tensile strengths are 80.3 GPa and 130.4 GPa along the 〈100〉 and 〈001〉 directions, respectively. The theoretical Vickers hardness of bct‐C 4 was estimated as 88 GPa, which is comparable to that of diamond. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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