Related papers: Third-order elastic coefficients and logarithmic s…
Rare-earth tritellurides ($R$Te$_3$) exhibit complex charge-density-wave (CDW) phases intertwined with lattice symmetry, offering a platform to explore unconventional symmetry breaking in correlated materials. Elasto-optical probing, which…
Classical acoustoelasticity couples small-amplitude elastic wave propagation to an infinitesimal pre-deformation, in order to reveal and evaluate non-destructively third-order elasticity constants. Here, we see that acoustoelasticity can be…
We here present, the ElasTool package, an automated toolkit for calculating the second-order elastic constants (SOECs) of any two- (2D) and three-dimensional (3D) crystal systems. It can utilize three kinds of strain-matrix sets, the…
A first-principles method is presented to calculate elastic constants up to the fourth order of crystals with the cubic and hexagonal symmetries. The method relies on the numerical differentiation of the second Piola-Kirchhoff stress tensor…
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 method of many body Green's functions is used to derive algebraic expressions for the different elastic and thermodynamical quantities such as the free energy, internal energy, entropy, heat capacity, elastic constants (adiabatic and…
Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their physical capabilities. The mechanical properties of these…
Using first-principles calculations within the generalized gradient approximation, we predicted the lattice parameters, elastic constants, vibrational properties, and electronic structure of cementite (Fe3C). Its nine single-crystal elastic…
Magnetoelastic properties play a vital role in industrial applications. Despite being hidden behind either purely magnetic or elastic behavior, magnetoelasticity takes place in a wide range of devices as transducers, acoustic actuators, or…
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…
On the basis of the nonlinear theory of elasticity, the general constitutive equation for an isotropic hyperelastic solid in the presence of initial stress is derived. This derivation involves invariants that couple the deformation with the…
The variational discrete element method developed in [28] for dynamic elasto-plastic computations is adapted to compute the deformation of elastic Cosserat materials. In addition to cellwise displacement degrees of freedom (dofs), cellwise…
A new mathematical formulation for the constitutive laws governing elastic perfectly plastic materials is proposed here. In particular, it is shown that the elastic strain rate and the plastic strain rate form an orthogonal decomposition…
Elastic constants are central material properties, frequently reported in experimental and theoretical studies. While their computation is straightforward in the absence of thermal fluctuations, finite--temperature methods often suffer from…
The spectral decomposition of a symmetric, second-order tensor is widely adopted in many fields of Computational Mechanics. As an example, in elasto-plasticity under large strain and rotations, given the Cauchy deformation tensor, it is a…
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,…
In a continuum description of materials, the stress tensor field $\bar{% \bar{\sigma}}$ quantifies the internal forces the neighbouring regions exert on a region of the material. The classical theory of elastic solids assumes that…
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-…
Two methods are proposed to evaluate the second-order elastic constants of quantum mechanically treated solids. One method is based on path-integral simulations in the (NVT) ensemble using an estimator for elastic constants. The other…
Modern inelastic material model formulations rely on the use of tensor-valued internal variables. When inelastic phenomena include softening, simulations of the former are prone to localization. Thus, an accurate regularization of the…