Related papers: Quantifying Local Point-Group-Symmetry Order in Co…
Skeletonization is a powerful tool for shape analysis, rooted in the inherent instinct to understand an object's morphology. It has found applications across various domains, including robotics. Although skeletonization algorithms have been…
This monograph introduces key concepts and problems in the new research area of Periodic Geometry and Topology for materials applications.Periodic structures such as solid crystalline materials or textiles were previously classified in…
Novelty in materials discovery requires candidates to be distinct, non-redundant, and thermodynamically plausible. While crystallographic databases continue to expand in both size and complexity, making efficient and reliable novelty…
Exploring structural order in disordered systems including liquids and glasses is an intriguing but challenging issue in condensed matter physics. Here we construct a new parameter based on the angular distribution function of particles and…
In computer and system sciences, higher-order cellular automata (HOCA) are a type of cellular automata that evolve over multiple time steps and generate complex patterns, which have various applications such as secret sharing schemes, data…
We develop a mathematical theory of symmetry protected trivial (SPT) orders and anomaly-free symmetry enriched topological (SET) orders in all dimensions via two different approaches with an emphasis on the second approach. The first…
Dynamical behaviour of discrete dynamical systems has been investigated extensively in the past few decades. However, in several applications, long term memory plays an important role in the evolution of dynamical variables. The definition…
Effects of three-point direct correlation on properties of the phase field crystal (PFC) modeling are examined, for the control of various ordered and disordered phases and their coexistence in both three-dimensional and two-dimensional…
To study how geometrical shape affect the light scattering properties for an ensemble of randomly orientated particles, the single scattering matrices including complete polarization information are calculated statistically for a group of…
We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms…
A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…
We present a general model-independent formalism of measuring CP and CPT violating parameters through time-ordered integrated rates of correlated decays of $C=\pm 1$ entangled states of neutral pseudoscalar mesons. We give the general…
There are at least three fundamental states of matter, depending upon temperature and pressure: gas, liquid, and solid (crystal). These states are separated by first-order phase transitions between them. In both gas and liquid phases the…
Broken rotational and translational symmetries are the hallmarks of solid state materials. In contrast, quantum liquids and gases do not exhibit such properties. However, if we regard the logarithm of the absolute square of a quantum liquid…
The interplay between densification and positional ordering during the process of crystal nucleation is a greatly investigated topic. Even for the simplest colloidal model -- hard spheres -- there has been much debate regarding the…
We have developed a software package CALYPSO (Crystal structure AnaLYsis by Particle Swarm Optimization) to predict the energetically stable/metastable crystal structures of materials at given chemical compositions and external conditions…
The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest…
Topological photonic crystals have received considerable attention for their ability to manipulate and guide light in unique ways. They are typically designed by hand based on careful analysis of their bands and mode profiles, but recent…
The quasi-independent curvilinear coordinate approximation (QUICCA) method [K. N\'emeth and M. Challacombe, J. Chem. Phys. {\bf 121}, 2877, (2004)] is extended to the optimization of crystal structures. We demonstrate that QUICCA is valid…
We focus on the crystal lattice ideal orientations, also referred to as preferred or attractor orientations, in crystalline materials, and how they can be used to predict the final texture of polycrystals after manufacturing processes. The…