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In this paper, based on the analysis of the formula (2.2) for calculating the elastic scattering diagrams of microparticles on a multilayer crystal surface, derived by the author in the article [3], it is shown that the stochastic approach…
The density distribution in solids is often represented as a sum of Gaussian peaks (or similar functions) centred on lattice sites or via a Fourier sum. Here, we argue that representing instead the $\mathit{logarithm}$ of the density…
Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…
The analysis of ultrafast electron diffraction (UED) data from low-symmetry single crystals of small molecules is often challenged by the difficulty of assigning unique Laue indices to the observed Bragg reflections. For a variety of…
In single-particle tracking experiments measuring anomalous diffusion dynamics, understanding ergodicity is crucial, as it ensures that the time average of an observable matches the ensemble average, and can thus be fitted with known…
Mechanical properties are of central importance to materials sciences, in particular if they depend on external stimuli. Here we investigate the rheological response of amorphous solids, namely col- loidal glasses, to external forces. Using…
State-of-the-art computational methods combined with common idealized structural models provide an incomplete understanding of experiments on real nanostructures, since manufacturing introduces unavoidable deviations from the design. We…
The present paper proposes a Statistical Mechanics approach to the inherent states of glassy systems and granular materials, following the original ideas developed by Edwards for granular materials. Two lattice models, a diluted Spin Glass…
We discuss a Statistical Mechanics approach in the manner of Edwards to the ``inherent states'' (defined as the stable configurations in the potential energy landscape) of glassy systems and granular materials. We show that at stationarity…
Glasses are structurally liquid-like, but mechanically solid-like. Most attempts to understand glasses start from liquid state theory. Here we take the opposite point of view, and use concepts from solid state physics. We determine the…
We present the first systematic measurements of the dynamic response of a glassy soft-solid formed on dispersing colloids in a thermotropic nematic liquid crystal. Through applying a simple theoretical model, we reveal that the nematic…
Materials design has traditionally evolved through trial-error approaches, mainly due to the non-local relationship between microstructures and properties such as strength and toughness. We propose 'alloy informatics' as a machine learning…
When non-solid matter (e.g., liquids or gas) is under constant volume V and density rho (e.g., in rigid box), spatial positions for their constituents are restricted by these conditions. We recently focus on the role of constraint in…
A conception of inhomogeneous locally random distribution of microdefects in crystalline solids is proposed. A method to calculate some physical properties of solids, containing inhomogeneously distributed defects, is developed. A…
Whereas knowledge of a crystalline material's unit cell is fundamental to understanding the material's properties and behavior, there are not obvious analogues to unit cells for disordered materials despite the frequent existence of…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
This study compares thirteen natural and industrial samples of supplementary or emerging supplementary cementitious materials (SCMs): slag, fly ashes, pozzolan, obsidian, silica fume, and recycled glass. These materials are used or are…
We simulate the dynamics of polydisperse hard spheres at high packing fractions, $\phi$, with an experimentally-realistic particle size distribution (PSD) and other commonly-used PSDs such as gaussian or top hat. We find that the mode of…
The paper considers an Euler discretization based numerical scheme for approximating functionals of invariant distribution of an ergodic diffusion. Convergence of the numerical scheme is shown for suitably chosen discretization step, and a…
A statistical approach to the description of the thermodynamic properties of the Fermi particle system occupying a half-space over a plane of finite size in a uniform external field is proposed. The number of particles per unit area is…