Related papers: Diffusional Anomaly and network dynamics in liquid…
The random propagation of molecules in a fluid medium is characterized by the spontaneous diffusion law as well as the interaction between the environment and molecules. In this paper, we embody the anomalous diffusion theory for modeling…
Anomalous (or non-Fickian) diffusion has been widely found in fluid reactive transport and the traditional advection diffusion reaction equation based on Fickian diffusion is proved to be inadequate to predict this anomalous transport of…
Local diffusion coefficients in disordered systems such as spin glass systems and living cells are highly heterogeneous and may change over time. Such a time-dependent and spatially heterogeneous environment results in irreproducibility of…
The isothermal compressibility of water is essential to understand its anomalous properties. We compute it by ab initio molecular dynamics simulations of 200 molecules at five densities, using two different van der Waals density…
We have studied the composition dependence of density of liquid water-DMSO mixtures at different temperatures by using the isobaric-isothermal (NPT) molecular dynamics computer simulations. The non-polarizable semi-flexible, P1 and P2…
The Infrared Spectrum is used as an experimental data target, to improved the TIP4P/$\epsilon$, adding harmonic potential U(r) in all bonds and harmonic potential U({\theta}) in the angle formed by the hydrogens and oxygen atoms of the…
We study the response of a Dirac fluid to electric fields and thermal gradients at finite wave-numbers and frequencies in the hydrodynamic regime. We find that non-local transport in the hydrodynamic regime is governed by infinite set of…
We report an experimental investigation of momentum diffusion in the delta-function kicked rotor where time symmetry is broken by a two-period kicking cycle and spatial symmetry by an alternating linear potential. The momentum diffusion…
We present analytical results for the biased diffusion of particles moving under a constant force in a randomly layered medium. The influence of this medium on the particle dynamics is modeled by a piecewise constant random force. The…
The silo discharge process is studied by molecular dynamics simulations. The development of the velocity profile and the probability density function for the displacements in the horizontal and vertical axis are obtained. The PDFs obtained…
Diffusioosmotic flow arises in microfluidic configurations due to solute concentration gradients. In soft microfluidic channels, internal pressure gradients generated by diffusioosmotic flow to conserve mass result in elastic deformation of…
The fundamental understanding of friction of liquids on solid surfaces remains one of the key knowledge gaps in the transport of fluids. While the standard perspective emphasizes the role of wettability and commensurability, recent works…
We simulate liquid water between hydrophobic walls separated by 0.5 nm, to study how the diffusion constant D_\parallel parallel to the walls depends on the microscopic structure of water. At low temperature T, water diffusion can be…
The temperature dependence of the dynamics of water inside microporous activated carbon fibers (ACF) is investigated by means of incoherent elastic and quasi- elastic neutron scattering techniques. The aim is to evaluate the effect of…
The fracture energy of brittle materials rises with crack velocity, and this effect is typically attributed to surface roughening from path instabilities. Here we show, using molecular dynamics simulations of silica glass with a…
We consider the time dependent dispersion properties of overdamped tracer particles diffusing in a one dimensional periodic potential under the influence of an additional constant tilting force $F$. The system is studied in the region where…
Using large scale molecular dynamics simulations we investigate the properties of the {\em non-affine} displacement field induced by macroscopic uniaxial deformation of amorphous silica,a strong glass according to Angell's classification.…
In the absence of advection, confined diffusion characterizes transport in many natural and artificial devices, such as ionic channels, zeolites, and nanopores. While extensive theoretical and numerical studies on this subject have produced…
We present a theory for the coagulation reaction A+A -> A for particles moving subdiffusively in one dimension. Our theory is tested against numerical simulations of the concentration of $A$ particles as a function of time (``anomalous…
We numerically investigate the dynamics and linear rheology of disordered systems made of patchy particles, focussing on the role of valence, temperature and bonding mechanism. We demonstrate that the dynamics is enslaved to bonding, giving…