相关论文: Elastic constants of beta-eucryptite: A density fu…
The fcc Lennard-Jones crystal is used as a generic model of solid to study the elastic properties of thin films as a function of thickness and temperature. The Monte Carlo algorithm is used to calculate the average deformations along the…
Some anisotropy in both mechanical and thermodynamical properties of bismuth is expected. A combination of density functional theory total energy calculations and density functional perturbation theory in the local density approximation is…
We have performed accurate ab initio total energy calculations using the full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential to…
Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic…
Properties of hcp-Ti such as elastic constants, stacking faults and gamma-surfaces are computed using Density Functional Theory (DFT) and two central force Embedded Atom interaction Models (EAM). The results are compared to previously…
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…
Change in the interatomic spacing of a two-atom system under tension and compression has been modelled by the elastic deformation of atoms. The critical elastic strain of atoms before separation or cracking from tension was estimated by the…
We study the elastic properties of incommensurate solid 4He in the limit of zero temperature. Specifically, we calculate the pressure dependence of the five elastic constants (C11, C12, C13, C33, and C44), longitudinal and transversal…
Computing the temperature and stress dependence of the full elastic constant tensor from first-principles in non-cubic materials remains a challenging problem. Here we circumvent the aforementioned challenge via the generalized…
We derive expressions for determination of the stress and the elastic constants in systems composed of particles interacting via non-central two-body potentials as thermal averages of products of first and second partial derivatives of the…
The structure of the quasi two dimensional heavy fermion antiferromagnet CeRhIn$_{5}$ has been investigated as a function of pressure up to 13 GPa using a diamond anvil cell under both hydrostatic and quasihydrostatic conditions at room…
We study the dynamic structure factor of fluctuating elastic thin sheets subject to conservative (athermal) random forcing. In Steinbock, Katzav & Boudaoud, Phys. Rev. Research 4, 033096 (2022), the static structure factor of such a sheet…
Strain energy density is calculated for a network of flexible chains with weak excluded-volume interactions (whose energy is small compared with thermal energy). Constitutive equations are developed for an incompressible network of chains…
We report on a laser generated and detected surface acoustic wave method for evaluating the elastic constants of micro-crystals composing polycrystalline steel. The method is based on the measurement of surface wave velocities in many…
Single Crystal Elastic Constants (SECs) are pivotal for understanding material deformation, validating interatomic potentials, and enabling crucial material simulations. The entropy stabilized oxide showcases intriguing properties,…
We investigated a plasma system with kinematic viscosity ($\nu = 0.006$) and magnetic diffusivity ($\eta = 0.006$), driven by helical kinetic energy, to study the dynamics of energy and helicity in magnetic diffusion. Using the numerical…
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 six independent elastic constants of Sr$_2$RuO$_4$ were determined using resonant ultrasound spectroscopy on a high-quality single-crystal specimen. The constants are in excellent agreement with those obtained from pulse-echo…
We propose a protocol to model accurately the electromechanical behavior of dielectric elastomer membranes using experimental data of stress-stretch and voltage-stretch tests. We show how the relationship between electric displacement and…
We have carried out a first principles study of the elastic properties and electronic structure for two room-temperature stable Pt silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. We have calculated all of the equilibrium…