Related papers: Pronounced structural crossover in supercritical w…
Experiments in bulk water confirm the existence of two local arrangements of water molecules with different densities, but, because of inevitable freezing at low temperature $T$, can not ascertain whether the two arrangements separate in…
Can liquid-like and gas-like states be distinguished beyond the critical point, where the liquid-gas phase transition no longer exists and conventionally only a single supercritical fluid phase is defined? Recent experiments and simulations…
Recent advance in understanding the supercritical state posits the existence of a new line above the critical point separating two physically distinct states of matter: rigid liquid and non-rigid gas-like fluid. The location of this line,…
Behavior of supercritical fluids attracts a lot of attention nowadays. It is important both from the point of view of fundamental science and technological applications. However, up to now the progress in the field is rather moderate. In…
Using molecular dynamics simulations, we investigate the relation between the dynamic transitions of biomolecules (lysozyme and DNA) and the dynamic and thermodynamic properties of hydration water. We find that the dynamic transition of the…
The objective of this work is to investigate the unexplored laminar-to-turbulent transition of a heated flat-plate boundary layer with a fluid at supercritical pressure. Two temperature ranges are considered: a subcritical case, where the…
Asymptotically close to critical end-points of first-order transitions, maxima in thermodynamic quantities occur along a line called the Widom line, a concept first introduced in classical fluids. This concept has been extended to strongly…
A new dynamic line, the Frenkel line, has recently been proposed to separate the supercritical state into rigid-liquid and non-rigid gas-like uid. The location of Frenkel line on the phase diagram is unknown for real uids. Here, we map the…
We investigate, for two water models displaying a liquid-liquid critical point, the relation between changes in dynamic and thermodynamic anomalies arising from the presence of the liquid-liquid critical point. We find a correlation between…
In the supercooled regime at elevated pressure two forms of liquid water, high-density (HDL) and low-density (LDL), have been proposed to be separated by a coexistence line ending at a critical point, but a connection to ambient conditions…
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…
The distinctive characteristics of water, evident in its thermodynamic anomalies, have implications across disciplines from biology to geophysics. Considered a valid hypothesis to rationalize its unique properties, a liquid-liquid phase…
Molecular dynamics simulations are carried out to explore the dynamical crossover phenomenon in strongly confined and mildly supercooled water in graphene oxide nanopores. In contrast to studies where confinement is used to study the…
At low temperatures proteins exist in a glassy state, a state which has no conformational flexibility and shows no biological functions. In a hydrated protein, at and above 220 K, this flexibility is restored and the protein is able to…
Distinguishing different subphases in the supercritical region is a fundamental issue in statistical physics and condensed matter physics. Traditional approaches mainly rely on static thermodynamic response functions or equilibrium…
In the supercritical fluid (SCF) region, at temperatures and pressures above the critical point, the thermodynamic singularity separating liquids and gases no longer exists. Recent arguments based on thermodynamics and critical scalings…
We investigate the liquid state structure of the two-dimensional (2D) model introduced by Barkan et al. [Phys. Rev. Lett. 113, 098304 (2014)], which exhibits quasicrystalline and other unusual solid phases, focussing on the radial…
Supercooled water is expected to exhibit a liquid--liquid phase transition between low- and high-density liquid states, possibly terminating in a liquid--liquid critical point in the experimentally difficult no man's land. Because the…
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of…
Despite the simplicity of its molecular unit, water is a challenging system because of its uniquely rich polymorphism and predicted but yet unconfirmed features. Introducing a novel space of generalized coordinates that capture changes in…