相关论文: Microstructural enrichment functions based on stoc…

We present a construction of the Wigner function for a bosonic quantum field theory that has well-defined ultraviolet (UV) and infrared (IR) properties. Our construction uses the local mode formalism in algebraic quantum field theory that…

Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…

In a previous paper: A. Paszkiewicz, T. Sobieszek, Additive Entropies of Partitions, we have given a description of additive partition entropies that is real functions $I$ on the set of finite partitions that are additive on stochastically…

We consider tiles of some fixed size, with an associated weighting on the shapes of tile, of total mass 1. We study the pressure, $p$, of tilings with those tiles; the pressure, one over the volume times the logarithm of the partition…

A characteristic mode (CM) method that relies on a global multi-trace formulation (MTF) of surface integral equations is proposed to compute the modes and the resonance frequencies of microstrip patch antennas with finite dielectric…

We extend the approach of wall modeling via function enrichment to detached-eddy simulation. The wall model aims at using coarse cells in the near-wall region by modeling the velocity profile in the viscous sublayer and log-layer. However,…

The structural complexity of metamaterials is limitless, although in practice, most designs comprise periodic architectures which lead to materials with spatially homogeneous features. More advanced tasks, arising in e.g. soft robotics,…

This study proposes a class of augmented subspace schemes for the weak Galerkin (WG) finite element method used to solve eigenvalue problems. The augmented subspace is built with the conforming linear finite element space defined on the…

We study tilings of the plane that combine strong properties of different nature: combinatorial and algorithmic. We prove existence of a tile set that accepts only quasiperiodic and non-recursive tilings. Our construction is based on the…

The ability to design and synthesize ever more complicated colloidal particles opens the possibility of self-assembling a zoo of complex structures, including those with one or more self-limited length scales. An undesirable feature of…

Disordered hyperuniform materials are an emerging class of exotic amorphous states of matter that endow them with singular physical properties. Here, we generalize the Fourier-space based numerical construction procedure for designing {\it…

We present a multi-scale approach to efficiently embed an ab initio correlated chemical fragment described by its energy-weighted density matrices, and entangled with a wider mean-field many-electron system. This approach, first presented…

An electro-chemo-mechanical phase-field formulation is developed to simulate pitting and stress corrosion in polycrystalline materials. The formulation incorporates dependencies of mechanical properties and corrosion potential on…

To create heterogeneous, multiscale structures with unprecedented functionalities, recent topology optimization approaches design either fully aperiodic systems or functionally graded structures, which compete in terms of design freedom and…

We present an efficient method for anealing 3d metallic grains using Gradient Weighted Moving Finite Elements (GWMFE). The initial grain microstructure is generated from Monte-Carlo evolution of a an effective discrete model on the initial…

We present a general method to obtain interesting subspaces of the $C^2$ cubic spline space defined on the cubic Wang-Shi refinement of a given arbitrary triangulation $\mathcal{T}$. These subspaces are characterized by specific Hermite…

We report a multiscale approach of broad applicability to stochastic reconstruction of multiphase materials, including porous ones. The approach devised uses an optimization method, such as the simulated annealing (SA) and the so-called…

We present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham DFT calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by…

Porous structures are materials consisting of minuscule pores, where the microstructure morphology significantly impacts their macroscopic properties. Integrating different porous structures through a blending method is indispensable to…

This paper introduces an auto-stabilized weak Galerkin (WG) finite element method for solving Stokes equations without relying on traditional stabilizers. The proposed WG method accommodates both convex and non-convex polytopal elements in…