Related papers: Unified ab initio formulation of flexoelectricity …
It is highly desirable to discover an electromechanical coupling that allows a dielectric material to generate curvature in response to a uniform electric field, which would add a new degree of freedom for designing actuators.…
Mesogenic dimers in the twist-bend nematic phase exhibit much higher flexoelectric polarization than in their uniform nematic phase. In order to theoretically investigate this data, we extend the symmetry based linear elastic theory of the…
In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…
Living tissues experience various external forces on cells, influencing their behaviour, physiology, shape, gene expression, and destiny through interactions with their environment. Despite much research done in this area, challenges remain…
Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…
Exact equations describing flexoelectric deformation in solids, derived previously within the framework of a continuum media theory, are partial differential equations of the fourth order. They are too complex to be used in the cases…
We investigate non-linear elastic deformations in the phase field crystal model and derived amplitude equations formulations. Two sources of non-linearity are found, one of them based on geometric non-linearity expressed through a finite…
Using first-principles calculations based on a variational density functional perturbation theory, we investigate the lattice dynamics of solid solutions of barium and strontium titanates. Averaging the information available for the related…
We reveal that strong flexoelectric effect of solids can be induced due to the signfi?cant charge migration along the strain gradient direction, which represents a new understanding of the origin of flexoelectricity. Beyond the linear…
The fluid-solid-electric dynamics of a flexible plate covered by interconnected piezoelectric patches in an axial steady flow are investigated using numerical simulations based on a reduced-order model of the fluid loading for slender…
Design of novel artificial materials based on ferroelectric perovskites relies on the basic principles of electrostatic coupling and in-plane lattice matching. These rules state that the out-of-plane component of the electric displacement…
A lattice of elastic rods organized in a parallelepiped geometry can be axially loaded up to an arbitrary amount without distortion and then be subject to incremental displacements. Using quasi-static homogenization theory, this lattice can…
Mechanical and elastic properties of materials are among the most fundamental quantities for many engineering and industrial applications. Here, we present a formulation that is efficient and accurate for calculating the elastic and bending…
We develop a lattice model for the splay flexoelectric effect in nematic liquid crystals. In this model, each lattice site has a spin representing the local molecular orientation, and the interaction between neighboring spins represents…
A mathematical model for an elastoplastic continuum subject to large strains is presented. The inelastic response is modeled within the frame of rate-dependent gradient plasticity for nonsimple materials. Heat diffuses through the continuum…
Elastic constants are among the most fundamental and important properties of solid materials, which is why they are routinely characterized in both experiments and simulations. While conceptually simple, the treatment of elastic constants…
Valley lines on total-energy surfaces for the zone-center distortions of free-standing and in-plane strained SrTiO3 are investigated with a newly developed first-principles structure optimization technique [Jpn. J. Appl. Phys. vol.43…
Considering the importance of the flexoelectric coupling for the physical understanding of the gradient-driven couplings in mesoscale and nanoscale solids, one has to determine its full symmetry and numerical values. The totality of…
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…
We present a systematic approach to modeling the electrical and structural properties of charge-mismatched superlattices from first principles. Our strategy is based on bulk calculations of the parent compounds, which we perform as a…