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In this Rapid Research Note the application of recently introduced [Physica A 277 (2000) 157] entropic measure S_Delta of spatial disorder for systems of finite-sized objects is presented. In the thermodynamic limit the critical behaviour…
Reduced-order models (ROMs) are often used to accelerate the simulation of large physical systems. However, traditional ROM techniques, such as those based on proper orthogonal decomposition (POD), often struggle with advection-dominated…
Structural quantities such as order parameters and correlation functions are often employed to gain insight into the physical behavior and properties of condensed matter systems. While standard quantities for characterizing structure exist,…
Phase separation of sequence-disordered liquid crystalline polymers, a promising class of technological and biological relevance, is studied by field theory, and thermodynamic mechanisms responsible for orientational ordering observed in…
In the recent years, there is a growing interest in semi-supervised learning, since, in many learning tasks, there is a plentiful supply of unlabeled data, but insufficient labeled ones. Hence, Semi-Supervised learning models can benefit…
Domain walls, optimal droplets and disorder chaos at zero temperature are studied numerically for the solid-on-solid model on a random substrate. It is shown that the ensemble of random curves represented by the domain walls obeys Schramm's…
Identifying the regions responsible for plastic flow in amorphous solids remains an open problem, since structural disorder seems to prevent the direct application of concepts such as dislocations, topological defects that successfully…
Order parameters based on spherical harmonics and Fourier coefficients already play a significant role in condensed matter research in the context of systems of spherical or point particles. Here, we extend these types of order parameter to…
The hyperuniformity concept provides a unified means to classify all perfect crystals, perfect quasicrystals, and exotic amorphous states of matter according to their capacity to suppress large-scale density fluctuations. While the…
Partially ordered sets (posets) play a universal role as an abstract structure in many areas of mathematics. For finite posets, an explicit enumeration of distinct partial orders on a set of unlabelled elements is known only up to a…
Most of the current understanding of structure-property relations at the molecular and the supramolecular scales can be formulated in terms of the stability of and the interactions between a limited number of recurring structural motifs…
The present work demonstrates a robust protocol for probing localized electronic structure in condensed-phase systems, operating in terms of a recently proposed theory for decomposing the results of Kohn-Sham density functional theory in a…
Optimal Learning Machines (OLM) are systems that extract maximally informative representation of the environment they are in contact with, or of the data they are presented. It has recently been suggested that these systems are…
Dynamic mechanical metamaterials (MMs) are artificial media composed of periodic micro-structures, designed to manipulate wave propagation. Modeling and designing these materials can be computationally demanding due to the broad design…
The correlation between local structure and the propensity for structural rearrangements has been widely investigated in glass forming liquids and glasses. In this paper we use the excess two-body entropy $S_2$ and tetrahedrality $\n_{tet}$…
Self-Organizing Map algorithms have been used for almost 40 years across various application domains such as biology, geology, healthcare, industry and humanities as an interpretable tool to explore, cluster and visualize high-dimensional…
Localization and delocalization of quantum diffusion in time-continuous one-dimensional Anderson model perturbed by the quasi-periodic harmonic oscillations of $M$ colors is investigated systematically, which has been partly reported by the…
In this paper we propose local approximation spaces for localized model order reduction procedures such as domain decomposition and multiscale methods. Those spaces are constructed from local solutions of the partial differential equation…
We monitor the transformation of a liquid into an amorphous solid in simulations of a glass forming liquid by measuring the variation of a structural order parameter with either changing temperature or potential energy to establish the…
Owing to the advances in computational techniques and the increase in computational power, atomistic simulations of materials can simulate large systems with higher accuracy. Complex phenomena can be observed in such state-of-the-art…