相关论文: Elastic Tensor of YNi_2B_2C
The effect of high pressure on structural and electronic properties of the novel superconductor \MB has been calculated using the full-potential linearized augmented-plane-wave method. Despite the layered crystal structure of \MB nearly…
Monte Carlo simulations of mono-- and polydisperse two--dimensional crystals are reported. The particles in the studied system, interacting through hard--core repulsive Yukawa potential, form a solid phase of hexagonal lattice. The elastic…
An approach to calculate high-frequency bulk and shear modului of two-dimensional (2D) weakly screened Yukawa fluids and solids is presented. Elastic moduli are directly related to sound velocities and other important characteristics of the…
We have investigated the phonon, elastic and thermodynamic properties of L1$_{2}$ phase Al$_{3}$Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that…
We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disordered local moments picture and ab initio molecular dynamics…
Different equations of state (EOS) have been used to study pressure as a function of volume compressions at a given temperature. The critical test of EOS' for solids under low compressions (<10GPa) by evaluating the pressure-volume…
We report temperature dependent resistivity, specific heat, magnetic susceptibility and thermoelectric power measurements made on the heavy fermion system YbNi2B2C, for both as grown and annealed single crystals. Our results demonstrate a…
Ab initio calculations and a direct method have been applied to derive the phonon dispersion curves and phonon density of states for the TiC crystal. The results are compared and found to be in a good agreement with the experimental neutron…
The elastic properties of the $B_1$-structured transition-metal nitrides and their carbide counterparts are studied using the {\it ab initio\} density functional perturbation theory. The linear response results of elastic constants are in…
In the perspective of developing smart hybrid materials with customized features, ferrogels and magnetorheological elastomers allow a synergy of elasticity and magnetism. The interplay between elastic and magnetic properties gives rise to a…
We present results of anisotropic thermal expansion and low temperature magnetostriction measurements on YNi$_2$B$_2$C single crystals grown by high temperature flux and floating zone techniques. Quantum oscillations of magnetostriction…
The elastic constants of a discotic lyotropic nematic liquid crystal are calculated by means of a pseudo-molecular approach as functions of the micellar shape anisotropy. By assuming that the temperature dependence of the ratio of the…
A statistical theory of cholesteric liquid crystals composed of short rigid biaxial molecules is presented. It is derived in the thermodynamic limit at a small density and a small twist. The uniaxial (biaxial) cholesteric phase is regarded…
In this work we aim to study the effect of temperature on the mechanical properties of a solid. For this, we have introduced a new first-principles based methodology to obtain the thermal variation of the elastic constants of NiTiSn, a…
A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor,…
The Y2SiO5 (YSO) crystal is a dielectric material with biaxial anisotropy with known values of refractive index at optical frequencies. It is a well-known rare-earth (RE) host material for optical research and more recently has shown…
The cross sections are calculated for the both elastic and inelastic scattering of 6He from 12C and 4He. A phenomenological optical potential is used to describe the elastic scattering. 4He is taken as spherical and inelastic couplings to…
The five independent elastic constants of hexagonal $\beta$-eucryptite have been determined using density functional theory (DFT) total energy calculations. The calculated values agree well, to within 15%, with the experimental data. Using…
The elastic and transport coefficients of a perfect face-centered cubic crystal of hard spheres are computed from the poles of the dynamic structure factor and of the spectral functions of transverse momentum density fluctuations. For such…
Using \emph{in situ} measurements on a quasi two-dimensional, harmonically trapped $^{87}$Rb gas, we infer various equations of state for the equivalent homogeneous fluid. From the dependence of the total atom number and the central density…