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There is growing evidence that electronic and molecular networks present some common universal properties, among which the existence of a self-organized intermediate phase. In glasses, the latter is revealed by the reversibility window…
Within the model of self-consistent connection of quasi-Rayleigh wave with adsorbed atoms, a method of constructing a new class of radiometric sensors of the temperature and concentration of adsorbed atoms on the surface acoustic waves is…
Quantum simulation of quasicrystals in synthetic bosonic matter now paves the way to the exploration of these intriguing systems in wide parameter ranges. Yet thermal fluctuations in such systems compete with quantum coherence, and…
MOF/polymer composites have been widely investigated in the past decade for gas separation applications. However, the impact of MOF nanoparticle morphology and size in gas separation have not yet been systematically studied by computer…
We study numerically the yielding transition of a two dimensional model glass subjected to athermal quasi-static cyclic shear deformation, with the aim of investigating the effect on the yielding behaviour of the degree of annealing, which…
We report the effects of reducing surface asperity size at the nanometer scale on metallic surfaces by plasma-assisted surface modification processes using simulations and experiments. Molecular dynamics (MD) simulations were conducted by…
The equation of state and phase diagram of strongly interacting matter composed of $\alpha$ particles are studied in the mean-field approximation. The particle interactions are included via a Skyrme-like mean field, containing both…
Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…
We report computer simulations of oscillatory athermal quasi-static shear deformation of dense amorphous samples of a three dimensional model glass former. A dynamical transition is observed as the amplitude of the deformation is varied:…
A molecular level analysis of segmental trajectories obtained from molecular dynamics simulations is used to obtain the full relaxation time spectrum in aging polymer glasses subject to three different deformation protocols. As in…
A general procedure is established to calculate the quantum phase diagrams for finite matter-field Hamiltonian models. The minimum energy surface associated to the different symmetries of the model is calculated as a function of the…
A major challenge in the modeling of ionically conducting glasses is to understand how the large variety of possible chemical compositions and specific structural properties influence ionic transport quantities. Here we revisit and extend a…
A potassium alumina borosilicate glass with the composition 13K2O*13Al2O3*16B2O3*43SiO2*15Fe2O3-x was melted using Fe2O3 as raw material. The melt was dumped from a Pt-crucible with a downpipe in water which resulted in the formation of…
Trapping ultra-cold atoms in optical lattices provides a unique environment for investigating quantum phase transitions between strongly correlated superfluid and Mott insulator phases. One of the major complications in the analysis of…
Primary crystallization in high Al-content metallic glasses is driven by nanometer-diameter regions with internal structure similar to fcc Al. Comparison of fluctuation electron microscopy (FEM) data to FEM simulations of fcc Al clusters…
By means of analytical and numerical methods we analyze the phase diagram of polaritons in one-dimensional coupled cavities. We locate the phase boundary, discuss the behavior of the polariton compressibility and visibility fringes across…
An apporach for the sensing of small amounts of chemical and biochemical material is presented. A frequency selective surface (FSS) made from asymmetric split ring resonators (aDSR) is excited with free space radiation. Due to interference…
We use several techniques to probe the wave functions proposed to describe the ${\cal A}$ phases by Das, Das, and Mandal [Phys. Rev. Lett. 131, 056202 (2023); Phys. Rev. Lett. 132, 106501 (2024); Phys. Rev. B 110, L121303 (2024).]. As…
Under rocket-relevant conditions, real-gas effects and thermodynamic non-idealities are prominent features of the flow field. Experimental investigations indicate that phase separation can occur depending on the operating conditions and on…
We apply a first-principles-based atomistic model to investigate the BaTi(1-x)Zr(x)O3 phase diagram, focusing on both macroscopic and local structural changes. Our approach, which combines molecular dynamics with machine learning…