Related papers: The K\"arger vs bi-exponential model: theoretical …
Brownian motion of water molecules provides an essential length scale, the diffusion length, commensurate with cell dimensions in biological tissues. Measuring the diffusion coefficient as a function of diffusion time makes in vivo…
In order to understand the long known anomalies in the composition dependence of diffusion and viscosity of binary mixtures, we introduce here two new models and carry out extensive molecular dynamic simulations. In these models, the two…
In recent years, research and development in nanoscale science and technology have grown significantly, with electrical transport playing a key role. A natural challenge for its description is to shed light on anomalous behaviours observed…
We perform a bifurcation analysis on an SIR model involving two pathogens that influences each other. Partial cross-immunity is assumed and coinfection is thought to be less transmittable then each of the diseases alone. The susceptible…
We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…
We report the diffusion coefficient and viscosity of popular rigid water models: Two non polarizable ones (SPC/E with 3 sites, and TIP4P/2005 with 4 sites) and a polarizable one (Dang-Chang, 4 sites). We exploit the dependence of the…
Exponential smoothing is a time series forecasting method that presents the forecast based on trend and seasonality components. In this work, we study the behavior of two time series that describe the level of the water reservoirs of the…
Molecular dynamics simulations of water with both multi-Kr and single Kr atomic solutes are carried out to implement quasi-chemical theory evaluation of the hydration free energy of Kr(aq). This approach obtains free energy differences…
Power systems usually go through electromagnetic and electromechanical transient processes after different disturbances. Learning the characteristics and the differences between them are important but not easy for students majoring in power…
We simulate late-stage coarsening of a 3-D symmetric binary fluid. With reduced units l,t (with scales set by viscosity, density and surface tension) our data extends two decades in t beyond earlier work. Across at least four decades, our…
Although coarse-grained models have been widely used to explain exotic phenomena in complex fluids, such as droplet formation in living cells, these conventional approaches often fail to capture the intricate microscopic degrees of freedom…
Estimation of division and death rates of lymphocytes in different conditions is vital for quantitative understanding of the immune system. Deuterium, in the form of deuterated glucose or heavy water, can be used to measure rates of…
The non-equilibrium relaxational properties of a three dimensional Coulomb glass model are investigated by kinetic Monte Carlo simulations. Our results suggest a transition from stationary to non-stationary dynamics at the equilibrium glass…
We propose a BGK-type kinetic model for a binary gas mixture, designed to serve as a kinetic formulation of compressible two-phase fluid dynamics. The model features species-dependent adiabatic exponents, and the relaxation operator is…
Consider a particle diffusing in a confined volume which is divided into two equal regions. In one region the diffusion coefficient is twice the value of the diffusion coefficient in the other region. Will the particle spend equal…
This paper studies a training method to jointly estimate an energy-based model and a flow-based model, in which the two models are iteratively updated based on a shared adversarial value function. This joint training method has the…
We consider the diffusion constant, D, of a probe particle coupled to the East model, extending previous numerical results for this model to encompass a total of twelve orders of magnitude in relaxation time, {\tau}. Our considerations thus…
The computationally efficient classical MARTINI model is extended to simulate heat transfer simulations of water. The current MARTINI model, variations of it and other coarse grain water models focus on reproducing the thermodynamic…
We developed a physics-based analytical model to describe the nonlinear mechanical response of aspirated elastic shells. By representing the elastic energy through a stretching modulus, $K$, and a dimensionless ratio, $\delta$, capturing…
One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise…