Related papers: Three-dimensional "Mercedes-Benz" model for water
Water is vital for life, and without it biomolecules and cells cannot maintain their structures and functions. The remarkable properties of water originate from its ability to form hydrogen-bonding networks and dynamics, which the…
The basis for a hydrodynamic description of granular gases is discussed for a low density gas of smooth, inelastic hard spheres. The more fundamental mesoscopic description is taken to be the nonlinear Boltzmann kinetic equation. Two…
The understanding of thermodynamic glass transition has been hindered by the lack of proper models beyond mean-field theories. Here, we propose a three-dimensional lattice glass model on a simple cubic lattice that exhibits the typical…
We derive a linearly causal and stable third-order relativistic fluid-dynamical theory from the Boltzmann equation using the method of moments. For this purpose, we demonstrate that such theory must include novel degrees of freedom,…
We demonstrate for the first time a tight binding model for water incorporating polarizable anions. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make…
When analyzing the broadband absorption spectrum of liquid water (10^10 - 10^13 Hz), we find its relaxation-resonance features to be an indication of Frenkel's translation-oscillation motion of particles, which is fundamentally inherent to…
We investigate the phase diagram of a three-dimensional associating gas $(ALG)$ model. This model combines orientational ice-like interactions and ``van der Waals'' that might be repulsive, representing, in this case, a penalty for…
The linearized Boltzmann equation is considered to describe small spatial perturbations of the homogeneous cooling state. The corresponding macroscopic balance equations for the density, temperature, and flow velocity are derived from it as…
A microscopic model able to describe simultaneously the dynamic viscosity and the self-diffusion coefficient of fluids is presented. This model is shown to emerge from the introduction of fractional calculus in a usual model of condensed…
We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…
We study the hydrodynamic behavior of three dimensional (3D) incompressible collections of self-propelled entities in contact with a momentum sink in a state with non-zero average velocity, hereafter called 3D easy-plane incompressible…
In this paper we apply hydrodynamics for systems with continuous broken symmetries to heavy ion collisions in the framework of (1+1) dimensional Bjorken model. The temperature profile with respect to proper time determined in that context…
In order for a droplet to rebound rather than coalesce with a liquid bath, a layer of gas must persist throughout the impact. This gas, typically an air layer acts as a lubricant to the system and permits a pressure transfer between the two…
When the time-reversal and parity symmetries in a fluid are broken, transverse transport coefficients can arise in response to perturbations, an example being odd viscosity. We refer to these systems as odd fluids. While much progress has…
Simplified, classical models of water are an integral part of atomistic molecular simulations, especially in biology and chemistry where hydration effects are critical. Yet, despite several decades of effort, these models are still far from…
Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water…
Water evaporation is critically important for hydrogels in open-air applications, but theoretically modeling is difficult due to the complicated intermolecular interactions and sustained deformation. In this work, we construct a simplified…
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equivalent representations of the Hamiltonian that together yield…
In many interfacial flow systems, variations of surface properties lead to novel and interesting behaviors. In this work a three-dimensional model of flow dynamics for multicomponent vesicles is presented. The surface composition is modeled…
This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement between graphene sheets. By means of molecular dynamics simulations, an adsorption of water molecules…