Related papers: Lattice-mediated bulk flexoelectricity from first …
Vacancy-mediated diffusion in multi-principal element alloys (MPEAs) remains poorly understood. Existing computational methods face challenges in connecting electronic structure to macroscopic transport coefficients due to the large number…
We respond to a Comment on our paper [Physical Review A 80, 023823 (2009)], which appears to have stemmed from a misunderstanding of the various energy-momentum tensors of classical electrodynamics. It is shown that each stress tensor, when…
Computing the atomic geometry of lattice defects--point defects, dislocations, crack tips, surfaces, or boundaries--requires an accurate coupling of the local strain field to the long-range elastic field. Periodic boundary conditions used…
We propose a method to model metallic surfaces in Lattice Boltzmann Electrokinetics simulations (LBE), a lattice-based algorithm rooted in kinetic theory which captures the coupled solvent and ion dynamics in electrolyte solutions. This is…
We study the lattice effects on the simple holographic toy model; massive U(1) gauge theory for the bulk action. The mass term is for the U(1) gauge symmetry breaking in the bulk. Without the lattice, the AC conductivity of this model shows…
We review the role that first-principles calculations have played in understanding the effects of substrate-imposed misfit strain on epitaxially grown perovskite ferroelectric films. We do so by analyzing the case of BaTiO$_3$,…
We consider mixed finite element methods with exact symmetric stress tensors. We derive a new quasi-optimal a priori error estimate uniformly valid with respect to the compressibility. For the a posteriori error analysis we consider the…
We have developed a computational method to describe the nonlinear light propagation of an intense and ultrashort pulse at oblique incidence on a flat surface. In the method, coupled equations of macroscopic light propagation and…
Liquid crystal elastomers (LCEs) marry the large deformation response of a cross-linked polymer network with the nematic order of liquid crystals pendent to the network. Of particular interest is the actuation of LCE sheets where the…
We examine the linear and nonlinear modes of a one-dimensional nonlinear electrical lattice, where the usual discrete Laplacian is replaced by a fractional discrete Laplacian. This induces a long-range intersite coupling that, at long…
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…
Accurate band offsets are essential for predictive continuum modeling of nanostructures such as quantum wells and quantum dots formed in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures. Experimental offset data for these systems…
Emergent lattices at mesoscopic length scales have evoked interest in several recent contexts, e.g., in crystalline arrangements of skyrmions. It is a challenging task to determine their collective excitations as the unit cells are large…
First-principles calculation of nonlinear magneto-optical effects has become an indispensable tool to reveal the geometric and topological nature of electronic states and to understand light-matter interactions. While intriguingly rich…
We introduce and analyze a stress-based formulation for Zener's model in linear viscoelasticity. The method is aimed to tackle efficiently heterogeneous materials that admit purely elastic and viscoelastic parts in their composition. We…
This paper presents a numerical study of flow through static random assemblies of monodisperse, spherical particles. A lattice Boltzmann approach based on a two relaxation time collision operator is used to obtain reliable predictions of…
Constitutive equations are derived for the viscoelastic behavior of filled elastomers at isothermal loading with finite strains. A particle-reinforced rubber is thought of as a composite where regions with low concentrations of junctions…
The mean stress tensor is essential to investigate the dynamics of granular material. In this paper, we use Hamilton's principle of least action to derive the averaged stress tensor of discrete granular assemblies subjected to hydraulic…
We employ a lattice Boltzmann method to compute the acoustic radiation force produced by standing waves on a compressible object. Instead of simulating the fluid mechanics equations directly, the proposed method uses a lattice Boltzmann…
In this paper we calculated the elastic constants of $\gamma Ce$. The calculations were performed self-consistently using the full potential augmented plane wave plus local orbital (FP-APW+lo) method. We used the generalized gradient…