相关论文: Identifying the ground state structures of point d…
We study the relationship between topological defect formation and ground-state packings in a model of repulsions in external confining potentials. Specifically we consider screened 2D Coulombic repulsions, which conveniently parameterizes…
Because of the inevitably disordered background, structural defects are not well-defined concepts in amorphous solids. In order to overcome this difficulty, it has been recently proposed that topological defects can be still identified in…
This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…
From a process development perspective, diamond growth via chemical vapor deposition has made significant strides. However, challenges persist in achieving high quality and large-area material production. These difficulties include…
A hallmark feature of topologically ordered states of matter is the dependence of ground state degeneracy (GSD) on the topology of the manifold determined by the global shape of the system. Although the topology of a physical system is…
Understanding the physics of structurally and chemically complex transition-metal oxide and polyanionic materials such as those used for battery electrodes is challenging, even at the level of pristine compounds. Yet these materials are…
We consider two-dimensional (2d) quantum many-body systems with long-range orders, where the only gapless excitations in the spectrum are Goldstone modes of spontaneously broken continuous symmetries. To understand the interplay between…
The energy landscapes of electrostatically charged particles embedded on constant mean curvature surfaces are analysed for a wide range of system size, curvature, and interaction potentials. The surfaces are taken to be rigid, and the…
Topological defects are crucial to the thermodynamics and structure of condensed matter systems. For instance, when incorporated into crystalline membranes like graphene, disclinations with positive and negative topological charge…
We employ a first-principles computational workflow to screen for optically accessible, high-spin point defects in wide band gap two-dimensional (2D) crystals. Starting from an initial set of 5388 point defects, comprising both intrinsic…
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…
This contribution is intended for Journal of Physics A: Mathematical and Theoretical Special issue on Non-equilibrium Dynamics in Complex Systems: Celebrating the Contributions of Uwe T\"{a}uber on his 60th Birthday. Cones with…
Defects are a universal feature of crystalline solids, dictating the key properties and performance of many functional materials. Given their crucial importance yet inherent difficulty in measuring experimentally, computational methods…
We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element…
Three-dimensional lattices are fundamental to solid-state physics. The description of a lattice with an atomic basis constitutes the necessary information to predict solid phase properties and evolution. Here, we present a new algorithm for…
Defects are a ubiquitous feature of ordered media. They have certain universal features, independent of the underlying physical system, reflecting their topological origins. While the topological properties of defects are robust, they…
We investigate the structure of topological defects in the ground states of spinor Bose-Einstein condensates with spin F=1 or F=2. The type and number of defects are determined by calculating the first and second homotopy groups of the…
This paper presents a regularized regression model with a two-level structural sparsity penalty applied to locate individual atoms in a noisy scanning transmission electron microscopy image (STEM). In crystals, the locations of atoms is…
Geometry and topology play a fundamental role in determining pattern formation on 2D surfaces in condensed matter physics. For example, local positive Gaussian curvature of a 2D surface attracts positive topological defects in a liquid…
Liquid crystals inevitably possess topological defect excitations generated through boundary conditions, applied fields or in quenches to the ordered phase. In equilibrium pairs of defects coarsen and annihilate as the uniform ground state…