Open AccessPressure effect on structural, elastic, and thermodynamic properties of tetragonal B4C4
Author(s) -
Baobing Zheng,
Meiguang Zhang,
HongGang Luo
Publication year - 2015
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.4915257
Subject(s) - debye model , bulk modulus , shear modulus , materials science , compressibility , tetragonal crystal system , thermodynamics , thermal expansion , heat capacity , anisotropy , elastic modulus , vickers hardness test , poisson's ratio , composite material , crystallography , chemistry , crystal structure , poisson distribution , physics , microstructure , statistics , mathematics , quantum mechanics
The compressibility, elastic anisotropy, and thermodynamic properties of the recently proposed tetragonal B4C4 (t-B4C4) are investigated under high temperature and high pressure by using of first-principles calculations method. The elastic constants, bulk modulus, shear modulus, Young’s modulus, Vickers hardness, Pugh’s modulus ratio, and Poisson’s ratio for t-B4C4 under various pressures are systematically explored, the obtained results indicate that t-B4C4 is a stiffer material. The elastic anisotropies of t-B4C4 are discussed in detail under pressure from 0 GPa to 100 GPa. The thermodynamic properties of t-B4C4, such as Debye temperature, heat capacity, and thermal expansion coefficient are investigated by the quasi-harmonic Debye model
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom