Related papers: Lattice Green's function for crystals containing a…
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…
Efficient computation of lattice defect geometries such as point defects, dislocations, disconnections, grain boundaries, interfaces and free surfaces requires accurate coupling of displacements near the defect to the long-range elastic…
Flexible boundary condition methods couple an isolated defect to bulk through the bulk lattice Green's function. The inversion of the force-constant matrix for the lattice Green's function requires Fourier techniques to project out the…
This paper develops a finite-difference analogue of the boundary integral/element method for the numerical solution of two-dimensional exterior scattering from scatterers of arbitrary shapes. The discrete fundamental solution, known as the…
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…
We describe a method for exactly diagonalizing clean $D$-dimensional lattice systems of independent fermions subject to arbitrary boundary conditions in one direction, as well as systems composed of two bulks meeting at a planar interface.…
A new expression for the Green's function of a finite one-dimensional lattice with nearest neighbor interaction is derived via discrete Fourier transform. Solution of the Heisenberg spin chain with periodic and open boundary conditions is…
A continuum model of crystalline solid equilibrium is presented in which the underlying periodic lattice structure is taken explicitly into account. This model also allows for both point and line defects in the bulk of the lattice and at…
In this Brief Report, we present an algorithm for calculating the elastic Lattice Greens Function of a regular lattice, in which defects are created by removing lattice points. The method is computationally efficient, since the required…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
We use a lattice Green function approach to study the stationary modes of a linear/nonlinear (Kerr) impurity embedded in a periodic one-dimensional lattice where we replace the standard discrete Laplacian by a fractional one. The energies…
We consider an infinite bi-material plane containing a semi-infinite crack situated on a soft imperfect interface. The crack is loaded by a general asymmetrical system of forces distributed along the crack faces. On the basis of the weight…
Sub-wavelength arrays of quantum emitters offer an efficient free-space approach to coherent light-matter interfacing, using ultracold atoms or two-dimensional solid-state quantum materials. The combination of collectively suppressed…
Transport properties of strongly correlated quantum systems are of central interest in condensed matter, ultracold atoms and in dense plasmas. There, the proper treatment of strong correlations poses a great challenge to theory. Here, we…
The effect of thermal fluctuations near a contact line of a liquid interface partially wetting an impenetrable substrate is studied analytically and numerically. Promoting both the interface profile and the contact line position to random…
We derive formulas for the matrix elements of the lattice Green function for the discrete Poisson equation on an infinite square lattice. The partial difference equation for the matrix elements is solved by reducing it to a series of first…
We present a microscopic modeling for a decay of a heavy compound nucleus, starting from a nucleonic degree of freedom. To this end, we develop an approach based on a non-equilibrium Green's function, which is combined with a configuration…
An efficient calculation method is proposed for the face centered cubic (FCC) lattice Green function. The method is based on binomial expansion theorems, which is provide us establish analytical formulae through simple basic integrals. The…
An original boundary integral formulation is proposed for the problem of a semi-infinite crack at the interface between two dissimilar elastic materials in the presence of heat flows and mass diffusion. Symmetric and skew-symmetric weight…
The Green-function technique, termed the irreducible Green functions (IGF) method, that is a certain reformulation of the equation-of motion method for double-time temperature dependent Green functions is presented. This method was…