Related papers: Elastic Tensor of YNi_2B_2C
The full elasticity tensor for nano-crystalline copper is derived in molecular simulations by performing numerical tests for a set of generated samples of the polycrystalline material. The results are analysed with respect to the anisotropy…
We have investigated the finite temperature elastic properties of AlRE (RE=Y, Tb, Pr, Nd, Dy) with B2-type structures from first principles. The phonon free energy and thermal expansion is obtained from the quasiharmonic approach based on…
With the help of first principles calculation method based on the density functional theory we have investigated the structural, elastic, mechanical properties and Debye temperature of Fe2ScM (M = P and As) compounds under pressure up to 60…
The basic thermodynamic parameters of the superconducting state in $\rm{YNi_{2}B_{2}C}$ were calculated in the framework of the one-band Eliashberg model. The effective Eliashberg function, determined on the basis of the transport function…
An inhomogeneous electric field is used to study the deflection of a supersonic beam of water molecules. The deflection profiles show strong broadening accompanied by a small net displacement towards higher electric fields. The profiles are…
By applying density functional theory (DFT) approximations, we present a first-principles investigation of elastic properties for the experimentally verified phases of a metallic perovskite LaNiO$_{3}$. In order to improve the accuracy of…
A theory is developed for evaluation of nonlinear elastic moduli of composite materials with nonlinear inclusions dispersed in another nonlinear material (matrix). We elaborate a method aimed for determination of elastic parameters of a…
We report the adiabatic elastic constants of single-crystal thorium dioxide over a temperature range of 77 - 350 K. Time-domain Brillouin scattering (TDBS), an all-optical, non-contact picosecond ultrasonic technique, is used to generate…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…
The elastic properties of rutile transition metal dioxides XO$_{2}$ (X=Ru, Rh, Os, and Ir) are investigated using first-principles calculations based on density functional theory. Elastic constants, bulk modulus, shear modulus, and Young's…
Elastic and structural properties of $\beta$-Ga$_2$O$_3$ and $\alpha$-Ga$_2$O$_3$ are investigated from first principles. The full elastic tensors and elastic moduli of both phases at $0$ K are computed in the framework of semi-local…
We analyse the effect of thermal fluctuations on the elastic constants of the decoupled lamellar phase of tethered, crystalline membranes. Using a momentum-shell renormalization group technique, we show that the smectic-A -like…
In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at…
Nonlinear elastic theory studies the elastic constants of a material (such as Young's modulus or bulk modulus) as a power series in the applied load. The inverse bulk modulus K, for example depends on the compression P: $ {1/ K(P)} = c_0 +…
The linear compressibilities and the thermal expansion of an untwinned, nearly optimal doped YBa2Cu3O6.94 single crystal were measured along the three crystallographic axes with a high-resolution dilatometer mounted in a high-pressure cell.…
Motivated by interest in the elastic properties of high strength amorphous metals, we examine the elastic properties of select crystalline phases. Using first principles methods, we calculate elastic moduli in various chemical systems…
To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free energy function with one variable with respect to strain at…
We study elastic properties of solid Yukawa systems. Elastic moduli and effective shear modulus of body-centered cubic (bcc) and face-centered cubic (fcc) lattices are obtained from electrostatic energies of deformed crystals. For the bcc…
Elastic constants of zero-temperature amorphous solids are given as the difference between the Born term, which results from a hypothetical affine deformation of an amorphous solid, and a correction term which originates from the fact that…
Elastic constants and sound velocities of nm-order thin films are essential for designing acoustic filters. However, it is difficult to measure them for dielectric thin films. In this study, we use a three-layer structure where a dielectric…