Related papers: A Topological Framework for Local Structure Analys…
We discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis…
Linear topological spaces with partial ordering (linear kinematics) are studied. They are defined by a set of 8 axioms implying that topology, linear structure and ordering are compatible with each other. Most of the results are valid for…
Quasi-continuous structural transformation from the crystalline to amorphous state takes place in graphite during ball-milling. The quantitative characteristics of a short- and a medium-range orders in carbon nanomaterials structure are…
Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…
Several systems involve spatial arrangements of elements such as molecules or cells, the characterization of which bears important implications to biological and physical investigations. Traditional approaches to quantify spatial order and…
The structure of the densest crystal packings is determined for a variety of concave shapes in 2D constructed by the overlap of two or three disks. The maximum contact number per particle pair is defined and proposed as a useful means of…
An increasing variety of crystal structures has been observed in soft condensed matter over the past two decades, surpassing most expectations for the diversity of arrangements accessible through classical driving forces. Here, we survey…
Local positional disorder in soft, anharmonic materials has emerged as a central factor in shaping their electronic, vibrational, optical, and transport properties. Viewed mainly as a source of performance degradation, recent theoretical…
The large-scale matter distribution represents a complex network of structure elements such as voids, clusters, filaments, and sheets. This network is spanned by a point distribution. The global properties of the point process can be…
Using computer simulations we investigate the microscopic structure of the singular director field within a nematic droplet. As a theoretical model for nematic liquid crystals we take hard spherocylinders. To induce an overall topological…
Abundant in nature, colloids also find increasingly important applications in science and technology, ranging from direct probing of kinetics in crystals and glasses to fabrication of third-generation quantum-dot solar cells. Because…
The Voronoi diagrams are an important tool having theoretical and practical applications in a large number of fields. We present a new procedure, implemented as a set of CUDA kernels, which detects, in a general and efficient way,…
In various types of many-particle systems, bidispersity is frequently used to avoid spontaneous ordering in particle configuration. In this study, the relation between bidispersity and disorder degree of particle configuration is…
Electromagnetic topological insulators have been explored extensively due to the robust edge states they support. In this work, we propose a topological electromagnetic system based on a line defect in topologically nontrivial photonic…
We investigate the connection between local structure and dynamical heterogeneity in supercooled liquids. Through the study of four different models we show that the correlation between a particle's mobility and the degree of local order in…
Methods of local topology are introduced to the field of protein physics. This is achieved by explaining how the folding and unfolding processes of a globular protein alter the local topology of the protein's C-alpha backbone through…
In a previous effort [arXiv:1708.05492] we have created a framework that explains why topological structures naturally arise within a scientific theory; namely, they capture the requirements of experimental verification. This is…
Liquid crystals (LCs) form an extremely rich range of self-assembled topological structures with artificially or naturally created topological defects. Some of the main applications of LCs are various optical and photonic devices, where…
The dynamics of glassy materials slows down upon cooling, typically showing either Arrhenius or super-Arrhenius behavior. However, it was recently shown that 2D cell-based models for biological tissues can be continuously tuned between…
We show that the concept of topological order, introduced to describe ordered quantum systems which cannot be classified by broken symmetries, also applies to classical systems. Starting from a specific example, we show how to use pure…