Related papers: Isogeometric analysis in electronic structure calc…
We introduce a coupled finite and boundary element formulation for acoustic scattering analysis over thin shell structures. A triangular Loop subdivision surface discretisation is used for both geometry and analysis fields. The…
A 3D finite-element numerical simulation was developed to investigate Casimir forces in arbitrary geometries. The code was verified comparing it with results obtained from analytical equations. Appling the simulation to previously not…
Ensuring the safe and reliable operation of integrated electricity and gas systems (IEGS) requires dynamic energy flow (DEF) simulation tools that achieve high accuracy and computational efficiency. However, the inherent strong nonlinearity…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
Subsea umbilical and power cables contain a large number of contact interfaces between different geometries and materials. These complex interactions rise significant challenges for accurately considering contact surface properties by using…
We consider numerical simulation of the isotropic elastic wave equations arising from seismic applications with non-trivial land topography. The more flexible finite element method is applied to the shallow region of the simulation domain…
The Intrinsic Surface Finite Element Method (ISFEM) was recently proposed to solve Partial Differential Equations (PDEs) on surfaces. ISFEM proceeds by writing the PDE with respect to a local coordinate system anchored to the surface and…
We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…
In general, there is a mismatch between a finite element model {(FEM)} of a structure and its real behaviour. In aeronautics, this mismatch must be small because {FEM}s are a fundamental part of the development of an aircraft and of…
I formulate a general finite element method (FEM) for self-gravitating stellar systems. I split the configuration space to finite elements, and express the potential and density functions over each element in terms of their nodal values and…
This paper presents an approach to generalize the concept of isogeometric analysis (IGA) by allowing different spaces for parameterization of the computational domain and for approximation of the solution field. The method inherits the main…
We provide a new method to calculate the full microlocal description of singularities of Feynman integrals. This is done by associating a unique constructible function to the system of partial differential equations (PDEs) annihilating the…
The finite element method (FEM) is applied to obtain numerical solutions to a recently derived nonlinear equation for the shallow water wave problem. A weak formulation and the Petrov-Galerkin method are used. It is shown that the FEM gives…
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…
In this paper, we present a finite element method (FEM) framework enhanced by an operator-adapted wavelet decomposition algorithm designed for the efficient analysis of multiscale electromagnetic problems. Usual adaptive FEM approaches,…
Isogeometric analysis (IGA) has emerged as a promising approach in the field of structural optimization, benefiting from the seamless integration between the computer-aided design (CAD) geometry and the analysis model by employing…
Isogeometric analysis (IGA) is a numerical method that connects computer-aided design (CAD) with finite element analysis (FEA). In CAD the computational domain is usually represented by B-spline or NURBS patches. Given a NURBS…
Partition of unity methods, such as the extended finite element method (XFEM) allow discontinuities to be simulated independently of the mesh [1]. This eliminates the need for the mesh to be aligned with the discontinuity or cumbersome…
In this paper, we construct an efficient numerical scheme for full-potential electronic structure calculations of periodic systems. In this scheme, the computational domain is decomposed into a set of atomic spheres and an interstitial…
This work is devoted to the development of an efficient and robust technique for accurate capturing of the electric field in multi-material problems. The formulation is based on the finite element method enriched by the introduction of…