相关论文: High-pressure behaviour of GeO2: a simulation stud…
We perform large-scale molecular dynamics simulations to study heated granular fluids in three dimensions. Granular particles dissipate their kinetic energy due to solid frictional interaction with other particles. The velocity of each…
After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of…
We present molecular dynamics simulations studying the influence of pressure on the correlation between the constant-volume thermal equilibrium fluctuations of virial W and potential energy U, focusing on liquids that are not strongly…
The structural evolution with temperature of pure silica (SiO2), sodium-silicate (5Na2O-95SiO2, 10Na2O-90SiO2 and 25Na2O-75SiO2) and albite (15Na2O-15Al2O3-75SiO2) glasses previously densified from hot compression is monitored with a…
The early stages of high energy heavy ion collisions are studied in the Color Glass Condensate framework, with a real-time classical lattice simulation. When increasing the coupling constant, we observe a rapid increase of the ratio of…
Non-Arrhenius behaviour and fast increase of the ionic conductivity is observed for a number of potassium silicate glasses $(1-x)SiO_2-xK_2O$ with potassium oxide concentration larger than a certain value $x=x_c=0.14$. Recovering of…
High pressure X-ray diffraction measurements have been carried out on the intermetallic semiconductor FeGa$_3$ and the equation of state for FeGa$_3$ has been determined. First principles based DFT calculations within the GGA approximation…
In this article, the mechanism of the unexpected high fluidity in SiOx nanowire under modest irradiation was proposed, the high fluidity is attributed to the long lifetime of irradiation-induced holes, which arise from formation of small…
A characteristic property of many soft matter systems is an ultrasoft effective interaction between their structural units. This softness often leads to complex behavior. In particular, ultrasoft systems under pressure demonstrate…
The time evolution of the pore size distributions and mechanical properties of amorphous solids at constant pressure is studied using molecular dynamics simulations. The porous glasses were initially prepared at constant volume conditions…
Past work has shown that ions can pass through a membrane more readily in one direction than the other. We demonstrate here in a model and an experiment that for a mixture of small and large particles such asymmetric diffusion can arise…
We report the combined results of molecular dynamics simulations and theoretical calculations concerning various dynamical arrest transitions in a model system representing a dipolar fluid, namely, N (softcore) rigid spheres interacting…
The theoretical analysis of the process of diffusion of interstitial oxygen atoms and hydrogen molecules in silicon and germanium crystals has been performed. The calculated values of the activation energy and pre-exponential factor for an…
Over the last decade, an increasing body of evidence has emerged, supporting the existence of a metastable liquid-liquid critical point in supercooled water, whereby two distinct liquid phases of different densities coexist. Analysing long…
It is known that both linear and nonlinear optical phenomena can be produced when the plasmon in metallic nanostructures are excited by the external electromagnetic waves. In this work, a coupled system of Maxwell equations and a gas…
The effects of pressure on the superconducting properties of a Bi-based layered superconductor La2O2Bi3Ag0.6Sn0.4S6, which possesses a four-layer-type conducting layer, have been studied through the electrical resistance and magnetic…
Quasi-two-dimensional (quasi-2D) colloidal hard-sphere suspensions confined in a slit geometry are widely used as two dimensional (2D) model systems in experiments that probe the glassy relaxation dynamics of 2D systems. However, the…
The high-pressure behaviour of alpha-PbF2 has been investigated by angular-dispersive synchrotron X-ray powder diffraction up to 6.55(8) GPa. The fit of a 3rd-order Birch-Murnaghan equation-of-state gave the volume at zero pressure…
We report on the results of a molecular dynamics simulation study of binodal glassy systems, formed in the process of isochoric rapid quenching from a high-temperature fluid phase. The transition to vitreous state occurs due to concurrent…
We report experimental evidence for pressure instabilities in the model multiferroic BiFeO3 and namely reveal two structural phase transitions around 3 GPa and 10 GPa by using diffraction and far-infrared spectroscopy at a synchrotron…