Related papers: Dynamical Crossover in Supercritical Water
This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells…
Recently we have shown experimental evidence for a fragile-to-strong dynamic crossover (FSC) phenomenon in hydration water around a globular protein (lysozyme) at ambient pressure. In this letter we show that when applying pressure to the…
The accurate and robust simulation of transcritical real-fluid effects is crucial for many engineering applications, such as fuel injection in internal combustion engines, rocket engines and gas turbines. For example, in diesel engines, the…
The previtreous dynamics in glass forming monomer, glycerol monoacrylate (GMA), using broadband dielectric spectroscopy (BDS) was tested. Measurements revealed the clear dynamic crossover at temperature $T_B = 254$ K and the time scale…
Recent research suggests that the supercritical state consists of liquidlike and gaslike states where particle dynamics and key system properties are qualitatively different. We report experimental evidence of the structural crossover in…
The dynamics of water molecules plays a vital role in understanding water. We combined computer simulation and deep learning to study the dynamics of H-bonds between water molecules. Based on ab initio molecular dynamics simulations and a…
We show that the various crossovers between dynamical regimes observed in experiments and simulations of supercooled liquids can be explained in simple terms from the existence and statistical properties of dynamical heterogeneities. We…
We study the effect of thermal fluctuations on the critical dynamics of the three-dimensional disordered superconductor across the normal-superconducting transition. We employ a phenomenological hydrodynamic approach, and in particular find…
Supercooling of water can be easily studied with a simple apparatus suitable for the student laboratory. We describe such an apparatus and its capabilities. The parameters influencing supercooling include the initial temperature of the…
The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…
We study the crossover behaviors that can be observed in the high-temperature phase of three-dimensional dilute spin systems, using a field-theoretical approach. In particular, for randomly dilute Ising systems we consider the…
Criticality in a fluid of dielectric constant D that exhibits Ising-type behavior is studied as additional electrostatic (i.e., ionic) interactions are turned on. An exploratory perturbative calculation is performed for small ionicity as…
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…
Turbulent flows under transcritical conditions are present in regenerative cooling systems of rocker engines and extraction processes in chemical engineering. The turbulent flows and the corresponding heat transfer phenomena in these…
When conducting bonds are occupied randomly in a two-dimensional square lattice, the conductivity of the system increases continuously as the density of those conducting bonds exceeds the percolation threshold. Such a behavior is well known…
We use molecular dynamics computer simulations to investigate a critical temperature T_c for a dynamical glass transition as proposed by the mode-coupling theory (MCT) of dense liquids in a glass forming Ni_{0.8}Zr_{0.2}-system. The…
For a deeply supercooled liquid just above its glass transition temperature, we present a simple thermodynamic model, where the deeply supercooled liquid is assumed to be a mixture of solid-like and liquid-like micro regions. The mole…
We determine the scaling functions describing the crossover from Ising-like critical behavior to classical critical behavior in two-dimensional systems with a variable interaction range. Since this crossover spans several decades in the…
We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…
The dynamical properties of liquid lithium at several thermodynamic states near the triple point have been studied within the framework of the mode-coupling theory. We present a self-consistent scheme which, starting from the knowledge of…