Ab initiocalculations of second-, third-, and fourth-order partial and inner elastic constants of diamond
Zhukun Zhou1,2, Tangyan Chen1, Yangzhou Liu1
1School of Mechanical Engineering, Guangxi University, Nanning 530004, People's Republic of China.
Abstract:
By means ofab initiocalculations, a unified framework is presented to investigate the effect of internal displacement on the linear and nonlinear elasticity of single diamond crystals. The calculated linear and nonlinear elastic constants, internal strain tensor and internal displacement in single diamond crystals are compatible with the available experimental data and other theoretical calculations. The complete set of second-, third- and fourth-order elastic constants and internal strain tensor not only offer a better insight into the nonlinear and anisotropic elasticity behaviors, but also shows us the basic internal mechanical response of diamond. This study provides a route to calculate the nonlinear internal and external elasticity response in a nonprimitive lattice.
Related Concept Videos
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to...
Elastic Curve from the Load Distribution
For all beams, the analysis of the beam's reaction to distributed loads begins by understanding the relationship between a beam's load and the resulting shear forces and bending moments.
Equation of the Elastic Curve
Consider a cantilever beam with a point load at its free end (for instance, a diving board). When analyzing beam deflection with small slopes, the shape of the beam's elastic curve becomes key. The governing equation for this analysis involves the bending moment and the beam's flexural...
Van der Waals Equation
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
X-ray Crystallography
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Elastic Strain Energy for Shearing Stresses


