相关论文: Viscosity as a Smoking Gun for Complex Formation i…
The rheological properties of suspensions containing high solid fractions are investigated. Attention is focused on viscosity of silicate and magmatic melt systems. A general empirical equation which describes the relative viscosity of…
Lithium chloride LiCl is widely used as a prototype system to study the strongly dissociated 1-1 electrolyte solution. Here, we combined experimental measurements and classical molecular dynamics simulations to study the ion conduction in…
Comparison of heavy-ion experiments to fluid dynamics simulations requires the conversion of the fluid to particles. Extending the approach in Molnar & Wolff, PRC 95, 024903 (2017), this work presents self-consistent bulk viscous…
In this work, an extension of the Madrid-2019 force field is presented. We have added the cations Rb + and Cs + and the anions F$^-$, Br$^-$ and I$^-$. These ions were the remaining alkaline and halogen ions not previously considered in the…
Solvation in 1-ethyl-3-methylmidazolium chloride and in 1-ethyl-3-methylimidazolium hexafluorophosphate near equilibrium is investigated via molecular dynamics computer simulations with diatomic and benzenelike molecules employed as probe…
Aqueous solutions of LiCl are probably the most studied electrolyte solutions related to the complexity of liquid water at low temperatures. Despite the large amount of available experimental data hardly any computational studies were…
A fluorescent image analysis procedure to determine the distribution of species concentration and density in a gas flow is proposed. The fluorescent emission is due to the excitation of atoms/molecules of a gas that is intercepted by an…
Aqueous lithium chloride solutions up to very high concentrations were investigated in classical molecular dynamics simulations. Various force fields based on the 12-6 Lennard-Jones model, parametrized for non-polarizable water solvent…
In simulations of a water-like model (ST2) that exhibits a liquid-liquid phase transition, we test for the occurrence of a thermodynamic region in which the liquid can be modelled as a two-component mixture. We assign each molecule to one…
Materials containing hydrogen and high-Z ion species are used in a variety of high energy density physics (HED) applications, and it becomes increasingly important to investigate transport properties of these substances as they become…
A new computational model for Sodium Chloride, the NaCl/{\epsilon}, is proposed. The Force Fields employed here for the description of the NaCl is based on a set of radial particle-particle pair potentials involving Lennard-Jones (LJ) and…
Viscosity is a fundamental property of liquid lubricants, yet it is challenging to determine accurately, especially at high pressures. Although equilibrium molecular dynamics (EMD) simulations are a promising alternative to…
High-spectral resolution observations of clusters of galaxies are a powerful tool to understand the physical processes taking place in these massive objects. Their hot multi-million-degree X-ray emitting cluster atmospheres, containing most…
We propose an improved viscosity model accounting for experiments of emulsions of two immiscible liquids at arbitrary volume fractions and low shear rates. The model is based on a recursive-differential method formulated in terms of the…
Even though nucleation is ubiquitous in different science and engineering problems, investigating nucleation is extremely difficult due to the complicated ranges of time and length scales involved. In this work, we simulate NaCl nucleation…
Monte Carlo simulations using a hybrid quantum and classical mechanical potential were performed for crystal and amorphous-like HCl-water(n) clusters The subsystem composed by HCl and one water molecule was treated within Density Functional…
We investigate the well-posedness and solution regularity of an evolution equation with non-positive type variable-exponent memory, which describes multiscale viscoelasticity in materials with memory. The perturbation method is applied for…
Molecular segregation in methanol-water mixtures is studied across a wide concentration range as a function of temperature and pressure. Cluster distributions obtained from both neutron diffraction and molecular dynamics simulations point…
Most hydrodynamical simulations of galaxy cluster formation carried out to date have tried to model the cosmic gas as an ideal, inviscid fluid, where only a small amount of (unwanted) numerical viscosity is present, arising from practical…
We investigate the transferability of machine learning interatomic potentials across concentration variations in chemically similar systems, using aqueous potassium hydroxide solutions as a case study. Despite containing identical chemical…