相关论文: Elastic Tensor of YNi_2B_2C
We derive expressions for classical isothermal and adiabatic elastic constants for periodic systems with the boundary contributions included explicitly. The potential-dependent part of these expressions is written in terms of potential…
Niobium does not show any structure transition up to very high pressures. Nonetheless, by using density functional theory, we demonstrate in this work that it exhibits striking softening in elastic moduli C44 and C' at a pressure from 20 to…
Using first-principles calculations, the elastic constants, thermodynamic property and structural phase transition of rhenium diboride under pressure are investigated by means of the pseudopotential plane-waves method, as well as the effect…
We present theoretical studies for the third-order elastic constants $C_{ijk}$ in zinc-blende nitrides AlN, GaN, and InN. Our predictions for these compounds are based on detailed ab initio calculations of strain-energy and strain-stress…
We study the elastic deformation of few layers (5 to 25) thick freely suspended MoS2 nanosheets by means of a nanoscopic version of a bending test experiment, carried out with the tip of an atomic force microscope. The Young's modulus of…
This note deals with stiffness tensors measured from anisotropic linear elastic materials, whose symmetry is unknown. Their possible symmetries (exact or approximative) are revealed by a pole figure. An intrinsic function allows one to…
The structural, electronic, mechanical and thermodynamic properties of (Ti1-xMox)2AlC (0 < x < 0.20) were explored via density functional theory. The obtained lattice constants agree well with the experimental values. The electronic band…
The elastic constant tensors for the hcp phases of three transition metals (Co, Re, and Fe) are computed as functions of pressure using the Linearized Augmented Plane Wave method with both the local density and generalized gradient…
The third-order elastic moduli and pressure derivatives of the second-order elastic constants of novel B2-type AlRE (RE=Y, Pr, Nd, Tb, Dy, Ce) intermetallics are presented from first-principles calculations. The elastic moduli are obtained…
Using the density functional formalism we derive expression for the distortion free energy for systems with continuous broken symmetry and use it to derive expression for the elastic constants of smectic phases in which director is tilted…
We derive a mobility tensor for many cylindrical objects embedded in a viscous sheet. This tensor guarantees a positive dissipation rate for any configuration of particles and forces, analogously to the Rotne-Prager-Yamakawa tensor for…
The anisotropy of temperature is studied here in a strong two-dimensional shockwave, simulated with conventional molecular dynamics. Several forms of the kinetic temperature are considered, corresponding to different choices for the local…
The temperature dependence of DNA flexibility is studied in the presence of stretching and unzipping forces. Two classes of models are considered. In one case the origin of elasticity is entropic due to the polymeric correlations, and in…
An anisotropic elasticity tensor can be approximated by the closest tensor belonging to a higher symmetry class. The closeness of tensors depends on the choice of a criterion. We compare the closest isotropic tensors obtained using four…
We report the first application of x-rays to the measurement of the temperature dependent Bragg peak intensities to obtain Debye-Waller factors on high-temperature superconductors. Intensities of (0,0,l) peaks of YBa2Cu3O7 and HgBa2CaCu2O6…
Recently, detailed calculations of the excitonic insulator phase model adapted to the case of 1\textit{T}-TiSe$_2$ have been presented. Through the spectral function theoretical photoemission intensity maps can be generated which are in…
We address the nature of the ligandal disorder leading to local redistributions of Kondo temperatures, manifested as annealing-induced changes in the transport behavior of the heavy fermion system YbNi2B2C. The anomalous transport behavior…
The crystal structure, mechanical properties and electronic structure of ground state BeH$_{2}$ are calculated employing the first-principles methods based on the density functional theory. Our calculated structural parameters at…
With the first detections of binary neutron star mergers by gravitational-wave detectors, it proves timely to consider how the internal structure of neutron stars affects the way in which they can be asymmetrically deformed. Such…
We investigate the effect of thermal fluctuations on the mechanical properties of nanotubes by employing tools from statistical physics. For 2D sheets it was previously shown that thermal fluctuations effectively renormalize elastic moduli…