相关论文: System size dependence of hydration shell occupanc…
In an adiabatically shielded system the total enthalpy is conserved. Enthalpy fluctuations of an arbitrarily chosen subsystem must be buffered by the remainder of the total system which serves as a heat reservoir. The magnitude of these…
A physical mechanism has been proposed to describe the formation of a stable state of a nonwetting liquid after filling of a porous medium at an increased pressure with the subsequent reduction of the overpressure to zero. It has been shown…
A hydrophobic constriction site can act as an efficient barrier to ion and water permeation if its diameter is less than the diameter of an ion's first hydration shell. This hydrophobic gating mechanism is thought to operate in a number of…
Hydrogels have a distinct combination of mechanical and water-transport behaviors. As hydrogels stiffen, they become less permeable. Here, we combine semi-dilute polymer theory with the Kozeny-Carman equation to develop a simple scaling law…
We formally extend the energy landscape approach for the thermodynamics of liquids to account for saddle points. By considering the extensive nature of macroscopic potential energies, we derive the scaling behavior of saddles with system…
The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affected by relative humidity. The hydrolysis of CO32- with n =…
Inspired on the well known dynamical dichotomy predicted in voids, where some underdense regions expand whereas others collapse due to overdense surrounding regions, we explored the interplay between the void inner dynamics and its large…
Numerous works have shown that under mild assumptions unitary dynamics inevitably leads to equilibration of physical expectation values if many energy eigenstates contribute to the initial state. Here, we consider systems driven by…
Local polarization effects, induced by mono and divalent positive ions in water, influence (and in turn are influenced by) the large scale structural properties of the solvent. Experiments can only distinguish this process of interplay in a…
The drying of hydrophobic cavities is believed to play an important role in biophysical phenomena such as the folding of globular proteins, the opening and closing of ligand-gated ion channels, and ligand binding to hydrophobic pockets. We…
The transient behaviour of highly concentrated colloidal liquids and dynamically arrested states (glasses) under time-dependent shear is reviewed. This includes both theoretical and experimental studies and comprises the macroscopic…
The envelopes covering bacterial cytoplasm possess remarkable elastic properties. They are rigid enough to resist large pressures while being flexible enough to adapt to growth under environmental constraints. Similarly, the virus shells…
The entanglement entropy of a free field in de Sitter space is enhanced by the squeezing of its modes. We show analytically that the expansion induces a term in the entanglement entropy that depends logarithmically on the size of the…
A natural question of how the survival probability depends upon a position of a hole was seemingly never addressed in the theory of open dynamical systems. We found that this dependency could be very essential. The main results are related…
The effects of (in)homogeneity and size on the phase diagram of Lennard-Jones fluids are investigated. It is shown that standard multifragmentation scenarios (finite equilibrated systems with conserved center of mass position and momentum)…
To analyze hydration effects on macromolecular diffusion, the friction coefficients of macromolecules were examined using molecular dynamics simulations with an all-atom model. In the present study, a method was introduced to decompose the…
Water offers a large temperature domain of stable liquid, and the characteristic hydrophobic effects are first a consequence of the temperature insensitivity of equation-of-state features of the aqueous medium, compared to other liquids. On…
We study the N/Z dependence of energy of vanishing flow or balance energy for different isotopic series of various system masses like Ca+Ca, Ni+Ni, Zr+Zr, Sn+Sn and Xe+Xe. We find that balance energy decreases with N/Z of the system and…
Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact not accounted for in current implicit solvent models. We…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…