Related papers: Lattice-mediated bulk flexoelectricity from first …
A computational method based on a first-principles multiscale simulation has been used for calculating the optical response and the ablation threshold of an optical material irradiated with an ultrashort intense laser pulse. The method…
This paper derives a posteriori error estimators for the nonlinear first-order optimality conditions associated with the electrically and flexoelectrically coupled Frank-Oseen model of liquid crystals, building on the results of [14] for…
We present a computational design methodology for topology optimization of multi-material-based flexoelectric composites. The methodology extends our recently proposed design methodology for a single flexoelectric material. We adopt the…
The closed analytical expression for the electron density of states function in a rectangular lattice is derived in an elementary way in terms of complete elliptic integrals of the first kind. The lattice can be treated as a deformed square…
Taking into considerations the wide compositional stretch of Heusler alloys, the first principles density functional theory based calculations are excellently suitable for estimating the multifaceted properties of alkali metal based LiVSb…
Energy-transport equations for the transport of fermions in optical lattices are formally derived from a Boltzmann transport equation with a periodic lattice potential in the diffusive limit. The limit model possesses a formal gradient-flow…
We consider a model problem of the scattering of linear acoustic waves in free homogeneous space by an elastic solid. The stress tensor in the solid combines the effect of a linear dependence of strains with the influence of an existing…
In this paper the temperature dependence of the $SU(3)$--gluodynamics bulk viscosity is studied within lattice simulations. To carry out this study we measure the correlation function of the trace of the energy-momentum tensor for a set of…
In this work we introduce novel stress-only formulations of linear elasticity with special attention to their approximate solution using weighted residual methods. We present four sets of boundary value problems for a pure stress…
A new method for extracting force constants (FC) from first principles is introduced. It requires small supercells but very accurate forces. In principle, provided that forces are accurate enough, it can extract harmonic as well as…
We compute the lattice-dynamical and thermal equation of state properties of ferromagnetic bcc iron using the first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. The calculated phonon…
The contact between a rigid Hertzian indenter and an adhesive broad-band viscoelastic substrate is considered. The material behaviour is described by a modified power law model, which is characterized by only four parameters, the glassy and…
We present a procedure to map the constitutive laws of elasticity (both in the linear and nonlinear regime) onto a discrete atomic lattice and we apply the resulting elastic lattice model to investigate the strain field within an embedded…
Flexoelectricity has garnered much attention owing to its ability to bring electromechanical functionality to non-piezoelectric materials and its nanoscale significance. In order to move towards a more complete understanding of this…
A square lattice of mesoscopic resistors is considered. Each bond is modeled as a narrow waveguide, while junctions are sources of elastic scattering given by a scattering matrix \mathbf{S}. Symmetry and unitarity constraints are used in a…
A soft solid is said to be initially stressed if it is subjected to a state of internal stress in its unloaded reference configuration. Developing a sound mathematical framework to model initially stressed solids in nonlinear elasticity is…
We present an analytical model to investigate the mechanics of 2-dimensional lattices composed of elastic beams of non-uniform cross-section. Our approach is based on reducing a lattice to a single beam subject to the action of a set of…
First-principles quasi-harmonic calculations play a very important role in mineral physics because they can accurately predict the structure and thermodynamic properties of materials at pressure and temperature conditions that are still…
In Part I of this contribution, a systematic coarse-grained description of the dynamics of a weakly-bending semiflexible polymer was developed. Here, we discuss analytical solutions of the established deterministic partial…
A general nonlinear theory for the elasticity of pre-stressed single crystals is presented. Various types of elastic moduli are defined, their importance is determined, and relationships between them are presented. In particular, B moduli…