Related papers: Revealing hidden medium-range order in silicate gl…
We report the discovery of a mixed orientational structure in the quasi-one-dimensional fluid of hard non-spherical bodies with the exact calculation of the thermodynamic and structural quantities using the transfer operator method. The…
Equiatomic CoCrNi medium entropy alloys are known for their unique properties linked to chemical short-range order (CSRO), crucial in both percolation processes and/or nucleation and growth processes influencing alloy passivation in aqueous…
Based on Monte Carlo (MC) computer simulations we study the structure formation of a system of magnetic nanorods. Our model particles consist of fused spheres with permanent magnetic dipole moments, as inspired by recent experiments. The…
By equilibrating condensed DNA arrays against reservoirs of known osmotic stress and examining them with several structural probes, it has been possible to achieve a detailed thermodynamic and structural characterization of the change…
Densified silica can be obtained by different pressure and temperature paths and for different stress conditions, hydrostatic or including shear. The density is usually the macroscopic parameter used to characterize the different compressed…
Based on Monte Carlo calculations, multipolar ordering on the Penrose tiling, relevant for two-dimensional molecular adsorbates on quasicrystalline surfaces and for nanomagnetic arrays, has been analyzed. These initial investigations are…
Isomerization in molecular systems almost invariably occurs through 3-dimensional motion due to the nature of chemical bonding. Pseudorotation is an unusual type of isomerization that occurs in some high symmetry systems that gives the…
The spin and the chirality orderings of the Heisenberg spin glass in two dimensions with the nearest-neighbor Gaussian coupling are investigated by equilibrium Monte Carlo simulations. Particular attention is paid to the behavior of the…
Hypothesis: Anisotropic rod particles in capillary suspensions form complex network structures with distinctive orientation patterns and rheological properties that differ significantly from spherical particle systems. By identifying the…
Understanding how atomic-level structures govern the mechanical properties of amorphous materials remains a fundamental challenge in solid-state physics. Under mechanical loading, amorphous materials exhibit simple affine and spatially…
Despite the extensive research that has been conducted for decades on the behavior of confined liquids, detailed knowledge of this phenomenon, particularly in the mixed/boundary lubrication regime, remains limited. This can be attributed to…
Amorphous solids, or glasses, are distinguished from crystalline solids by their lack of long-range structural order. At the level of two-body structural correlations, glassformers show no qualitative change upon vitrifying from a…
Li5OsO6 and Li5ReO6 polycrystalline samples were synthesized by conventional solid state methods. Employing powder neutron diffraction data, the crystal structure of Li5OsO6 was re-investigated. Li5OsO6 crystallizes in C2/m space group in…
We discuss a novel approach, the point-to-set correlation functions, that allows to determine relevant static and dynamic length scales in glass-forming liquids. We find that static length scales increase monotonically when the temperature…
We numerically study dynamics and correlation length scales of a colloidal liquid in both quiescent and sheared conditions to further understand the origin of slow dynamics and dynamic heterogeneity in glass-forming systems. The simulation…
Aqueous suspensions of geometrically anisometric (2D) sodium-montmorillonite (Na-Mt) particles display a sol-gel transition at very low solids concentrations. The underlying microstructure of the gel has remained a point of contention since…
We employ a machine-learning force field, trained by a neural network (NN) with bispectrum coefficients as descriptors, to investigate the short-range order (SRO) influences on the BCC NbMoTaW alloy strengthening mechanism. The NN…
We investigate how structural ordering, i.e. crystallization, affects the flow of bidisperse granular materials in a quasi-two-dimensional silo. By systematically varying the mass fraction of two particle sizes, we finely tune the degree of…
We investigate crystal structure and magnetic properties including spin relaxation and magnetocaloric effect in NASICON type NaFe$_2$PO$_4$(SO$_4$)$_2$ sample. The Rietveld refinement of x-ray and neutron diffraction patterns show a…
The short and intermediate range order of an amorphous Ge$_{30}$Se$_{70}$ alloy produced by Mechanical Alloying were studied by Reverse Monte Carlo simulations of its x-ray total structure factor, Raman scattering and differential scanning…