Related papers: Ab initio calculations of third-order elastic coef…
Third-order elastic coefficients (TOECs) have been measured experimentally and tabulated with pretty good accuracy since the middle of the previous century. In the classical acoustic measurement method the recalculation of instantaneous…
Criteria of selecting strain and fitting schemes are proposed for the calculation of higher-order elastic constants more efficiently, robustly and accurately. As demonstrated by the third-order elastic constants (TOECs) of diamond, the…
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…
In this letter, we study the higher-order effect on the third-order elastic constants (TOECs) of diamond using longitudinal stress-uniaxial strain (LSUS) approach based on density functional theory. The result shows that the higher-order…
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…
Available information concerning the elastic moduli of refractory carbides at temperatures (T) of relevance for practical applications is sparse and/or inconsistent. We carry out ab initio molecular dynamics (AIMD) simulations at T = 300,…
Consider the constitutive law for an isotropic elastic solid with the strain-energy function expanded up to the fourth order in the strain, and the stress up to the third order in the strain. The stress-strain relation can then be inverted…
We investigate the elastic properties of selected zincblende III-V semiconductors. Using hybrid functional density functional theory we calculate the second and third order elastic constants, and first and second-order internal strain…
Usual introductions of the concept of motion are not well adapted to a subsequent, strictly tensorial, theory of elasticity. The consideration of arbitrary coordinate systems for the representation of both, the points in the laboratory, and…
Acousto-elasticity is concerned with the propagation of small-amplitude waves in deformed solids. Results previously established for the incremental elastodynamics of exact non-linear elasticity are useful for the determination of third-…
In the present work, we derive a linearly stable and causal theory of relativistic third-order viscous hydrodynamics from the Boltzmann equation with relaxation-time approximation. We employ viscous correction to the distribution function…
On the basis of the general nonlinear theory of a hyperelastic material with initial stress, initially without consideration of the origin of the initial stress, we determine explicit expressions for the stress-dependent tensor of…
Third-order tensors are widely used as a mathematical tool for modeling physical properties of media in solid state physics. In most cases, they arise as constitutive tensors of proportionality between basic physics quantities. The…
The theories of flexoelectricity and that of nonlocal elasticity are closely related, and are often considered together when modeling strain-gradient effects in solids. Here I show, based on a first-principles lattice-dynamical analysis,…
The temperature dependent effective potential (TDEP) method is generalized beyond pair interactions. The second and third order force constants are determined consistently from ab initio molecular dynamics simulations at finite temperature.…
The theory of first strain gradient elasticity (SGE) is widely used to model size and non-local effects observed in materials and structures. For a material whose microstructure is centrosymmetric, SGE is characterized by a sixth-order…
Thermodynamic framework of finite strain viscoelasticity with second order weak nonlocality in the deformation gradient is investigated. The application of Liu procedure leads to a class of third grade elastic materials where the second…
A large variety of materials, widely encountered both in engineering applications and in the biological realm, are characterised by a non-vanishing internal stress distribution, even in the absence of external deformations or applied…
We derive the atomistic representations of the elastic tensors appearing in the linearized theory of first strain-gradient elasticity for an arbitrary multi-lattice. In addition to the classical (2nd-Piola) stress and elastic moduli…
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…