Related papers: Elastic constants and volume changes associated wi…
Electrical modulus analysis of the frequency dependent conductivity data over the range from 100 Hz to 10 MHz and at temperature range of 140 oC to 300 oC were carried out on the mixed alkali vanadate glass samples having lithium and…
We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…
Use of electrode materials that show phase change behavior and hence drastic changes in electrochemical activity during operation, have not been explored for Li-ion batteries. Here we demonstrate the vanadium oxide (VO2) cathode that…
Controlling electronic population through chemical doping is one way to tip the balance between competing phases in materials with strong electronic correlations. Vanadium dioxide exhibits a first-order phase transition at around 338 K…
Vanadium dioxide undergoes a metal-insulator transition (MIT) from an insulating (monoclinic) to a metallic (tetragonal) phase close to room temperature, which makes it a promising functional material for many applications, e.g. as chemical…
We investigate the rheological properties of an assembly of inelastic (but frictionless) particles close to the jamming density using numerical simulation, in which uniform steady states with a constant shear rate $\dot\gamma$ is realized.…
We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal…
Stability is an important and fruitful avenue of research for liquid crystal elastomers. At constant temperature, upon stretching, the homogeneous state of a nematic body becomes unstable, and alternating shear stripes develop at very low…
We present the results of a high-statistics Monte Carlo simulation of a phantom crystalline (fixed-connectivity) membrane with free boundary. We verify the existence of a flat phase by examining lattices of size up to $128^2$. The…
High pressure synthesis of rhenium nitride pernitride ReN$_2$ with crystal structure unusual for transition metal dinitrides and high values of hardness and bulk modulus attracted significant attention to this system. We investigate the…
We report experimental results for the influence of a tilt angle beta relative to gravity on turbulent Rayleigh-Benard convection of cylindrical samples. The measurements were made at Rayleigh numbers R up to 10^11 with two samples of…
A detailed high pressure investigation is carried out using x-ray diffraction, Raman spectroscopy and low temperature resistivity measurements on hexagonal ZrSe$_{2}$ having an excess of 3 at.\% Zr. Structural studies show that the sample…
Early turbulence in periodic cylinder arrays is of particular interest in many practical applications to enhance mixing and material/heat exchange. In this study, we reveal a new early transition pathway to a chaotic wavy state and drag…
The aim of this paper is to calculate the time dependence of the mean position (and orientation) of a fluid particle when a fluid system at thermodynamic equilibrium is submitted to a mechanical action. The starting point of this novel…
Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific-heat when cooled to low temperatures. There is a debate in the literature whether these phenomena…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
The strain load $\Delta\gamma$ that triggers consecutive avalanches is a key observable in the slow deformation of amorphous solids. Its temporally averaged value $\langle \Delta\gamma \rangle$ displays a non-trivial system-size dependence…
We perform ultrasound velocity measurements on a single crystal of nearly-metallic spinel Co$_{1.21}$V$_{1.79}$O$_4$ which exhibits a ferrimagnetic phase transition at $T_C \sim$ 165 K. The experiments reveal a variety of elastic anomalies…
Niobium does not show any structure transition up to very high pressures. Nonetheless, by using density functional theory, we demonstrate in this work that it exhibits striking softening in elastic moduli C44 and C' at a pressure from 20 to…
A general procedure to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase field crystal (PFC) models, is presented. It is found…