Related papers: Local Structure of Functional Solids
Transmission electron diffraction is a powerful and versatile structural probe for the characterization of a broad range of materials, from nanocrystalline thin films to single crystals. With recent developments in fast electron detectors…
We investigate the influence of fractal structure on material properties. We calculate the statistical correlation functions of fractal media defined by level-cut Gaussian random fields. This allows the modeling of both surface fractal and…
Disordered solids exhibit unusual properties of their vibrational states and thermal conductivities. Recent progresses have well established the concept of "elastic heterogeneity", i.e., disordered materials show spatially inhomogeneous…
We review basic computational techniques for simulations of various magnetic properties of solids. Several applications to compute magnetic anisotropy energy, spin wave spectra, magnetic susceptibilities and temperature dependent…
The effect of morphologic factors on magnetic flux dynamics and critical currents in percolative superconducting structures is considered. The superconductor contains the fractal clusters of a normal phase, which act as pinning centers. The…
A simulation study demonstrates that localization can arise as the result of the breakdown of stable quasi-crystal-like atomic configurations. Samples produced at elevated quench rates and via more energetic processes contain a lower…
Amorphous interfacial complexions have been shown to restrict grain growth and improve damage tolerance in nanocrystalline alloys, with increased chemical complexity stabilizing the complexions themselves. Here, we investigate local…
The influence of fractal clusters of a normal phase on the current-voltage characteristics of a percolation superconductor in the region of a resistive transition has been studied. The clusters represent the aggregates of columnar defects,…
We present an experimental spectroscopic study of large random colloidal aggregates of silver nanoparticles undergoing local restructuring. We argue that such well-known phenomena as strong fluctuation of local electromagnetic fields,…
We revealed that with the measurement of the scattering phase shift of electron in low-dimensional or mesoscopic systems local objects of hierarchy of density of states can also determine experimentally. In recent times, it has been…
The simulation of intrinsic contributions to molecular properties holds the potential to allow for chemistry to be directly inferred from changes to electronic structures at the atomic level. In the present study, we demonstrate how such…
During the past decades, notable improvements have been achieved in the understanding of static and dynamic properties of granular materials, giving rise to appealing new concepts like jamming, force chains, non-local rheology or the…
Configuration interaction in many-electron atoms may cause anomalies in the fine structure which make the intervals small and very sensitive to variation of the fine structure constant. Repeated precision measurements of these intervals…
We numerically investigate a colloidal particle driven through a colloidal crystal as a function of temperature. When the charge of the driven particle is larger or comparable to that of the colloids comprising the crystal, a local melting…
Cellular solids and micro-lattices are a class of lightweight architected materials that have been established for their unique mechanical, thermal, and acoustic properties. It has been shown that by tuning material architecture, a…
A thin flat rectangular plate supported on its edges and subjected to in-plane loading exhibits stable post-buckling behaviour. However, the introduction of a nonlinear (softening) elastic foundation may cause the response to become…
A completely opposite behavior of electronic localization is revealed in a spatially non-uniform disordered material compared to the traditional spatially uniform disordered one. This fact is substantiated by considering an order-disorder…
The most profound effect of disorder on the elastic response of solids is the nonaffinity of local displacements whereby the atoms (particles, network junctions) do not simply follow the macroscopic strain, as they do in perfect crystals,…
Microstructural changes in solids, driven by energy flows, do not develop in a static continuous space, such as the space considered in conventional plasticity models. The applied forces create an evolving internal energy landscape, which…
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…