English
Related papers

Related papers: Analysis of Boundary Conditions for Crystal Defect…

200 papers

We examine the equilibrium configurations of a nematic liquid crystal with an immersed body in two-dimensions. A complex variables formulation provides a means for finding analytical solutions in the case of strong anchoring. Local…

Soft Condensed Matter · Physics 2024-03-01 Thomas G. J. Chandler , Saverio E. Spagnolie

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and…

Modeling point defects at an atomic scale requires careful treatment of the long-range atomic relaxations. This elastic field can strongly affect point defect properties calculated in atomistic simulations because of the finite size of the…

Materials Science · Physics 2013-10-23 Céline Varvenne , Fabien Bruneval , Mihai-Cosmin Marinica , Emmanuel Clouet

We introduce a construction to embed a quasiperiodic lattice of obstacles into a single unit cell of a higher-dimensional space, with periodic boundary conditions. This construction transparently shows the existence of channels in these…

Chaotic Dynamics · Physics 2012-06-12 Atahualpa S. Kraemer , David P. Sanders

The conditioning of the linear finite volume element discretization for general diffusion equations is studied on arbitrary simplicial meshes. The condition number is defined as the ratio of the maximal singular value of the stiffness…

Numerical Analysis · Mathematics 2020-04-20 Xiang Wang , Weizhang Huang , Yonghai Li

The use of boundary integral equations in modeling boundary value problems-such as elastic, acoustic, or electromagnetic ones-is well established in the literature and widespread in practical applications. These equations are typically…

Computational Engineering, Finance, and Science · Computer Science 2025-05-28 Viviana Giunzioni , Adrien Merlini , Francesco P. Andriulli

This paper investigates energy-minimization finite-element approaches for the computation of nematic liquid crystal equilibrium configurations. We compare the performance of these methods when the necessary unit-length constraint is…

Numerical Analysis · Mathematics 2014-12-31 J. H. Adler , D. B. Emerson , S. P. MacLachlan , T. A. Manteuffel

Quantum computing promises exponential improvements in solving large systems of partial differential equations (PDE), which forms a bottleneck in high-resolution computational fluid dynamics (CFD) simulations, in, among others, aerospace…

Quantum Physics · Physics 2025-10-22 Vladyslav Bohun , Andrij Kuzmak , Maciej Koch-Janusz

A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. In particular, it is unclear if theories that assert a single pair of pure states, or theories that are based infinitely…

Disordered Systems and Neural Networks · Physics 2014-11-14 Wenlong Wang , Jonathan Machta , Helmut G. Katzgraber

Error bounds, which refer to inequalities that bound the distance of vectors in a test set to a given set by a residual function, have proven to be extremely useful in analyzing the convergence rates of a host of iterative methods for…

Optimization and Control · Mathematics 2015-12-14 Zirui Zhou , Anthony Man-Cho So

We revisit the problem of spurious modes that are sometimes encountered in partial differential equations discretizations. It is generally suspected that one of the causes for spurious modes is due to how boundary conditions are treated,…

Numerical Analysis · Mathematics 2024-03-11 Pascal R Karam , Bassam Bamieh

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

We evaluate the influence of local resolution, eddy viscosity, coastline structure, and boundary conditions on the numerical representation of boundary currents in a finite element shallow-water model. The use of finite element…

Atmospheric and Oceanic Physics · Physics 2015-02-04 Peter D. Düben , Peter Korn

We consider the generation of samples of a mean-zero Gaussian random field with Mat\'ern covariance function. Every sample requires the solution of a differential equation with Gaussian white noise forcing, formulated on a bounded…

Numerical Analysis · Mathematics 2018-09-21 Ustim Khristenko , Laura Scarabosio , Piotr Swierczynski , Elisabeth Ullmann , Barbara Wohlmuth

In this paper, we consider finite difference approximations of the second order wave equation. We use finite difference operators satisfying the summation-by-parts property to discretize the equation in space. Boundary conditions and grid…

Numerical Analysis · Mathematics 2015-09-04 Siyang Wang , Gunilla Kreiss

Simulations of motion by mean curvature in bounded domains, with applications to bubble motion and grain growth, rely upon boundary conditions that are only approximately compatible with the equation of motion. Three closed form solutions…

Soft Condensed Matter · Physics 2019-01-03 Simon Cox , Gennady Mishuris

The mathematical model of a real flexible elastic system with distributed and discrete parameters is considered. It is a partial differential equation with non-classical boundary conditions. Complexity of the boundary conditions results in…

Analysis of PDEs · Mathematics 2007-05-23 Olena V. Mul , Delfim F. M. Torres

A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and…

Materials Science · Physics 2009-11-07 Weinan E , Zhongyi Huang

Krylov subspace methods are among the most extensively studied early fault-tolerant quantum algorithms for estimating ground-state energies of quantum systems. However, the rapid onset of ill-conditioning might make accurate energies…

Quantum Physics · Physics 2026-04-14 Maria Gabriela Jordão Oliveira , Karl Michael Ziems , Nina Glaser

To enhance the understanding of the behavior of active nematic, it is important to understand the behavior of topological defects. In this paper, we study the configuration of topological defects of a two-dimensional active nematic around a…

Soft Condensed Matter · Physics 2026-02-16 Hiroki Matsukiyo , Jun-ichi Fukuda