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Yeh and Hummer's simplified estimation method has often been adopted to obtain diffusion coefficients for solute molecules using molecular dynamic simulation. However, the simplified formula is not necessarily valid when a small basic cell…
Using ideal relativistic hydrodynamics in 2+1 dimensions, we study the collision energy dependence of radial and elliptic flow, of the emitted hadron spectra, and of the transverse momentum dependence of several hadronic particle ratios,…
The Boeder differential equation is solved in this work over a wide range of $\alpha$, yielding the probability density functions (PDF), that describe the average orientations of rod-like macromolecules in a flowing liquid. The quantity…
Via hydrodynamics preserving molecular dynamics simulations we study growth phenomena in a phase separating symmetric binary mixture model. We quench high-temperature homogeneous configurations to state points inside the miscibility gap,…
Dissipative relativistic fluid dynamics is not always causal and can favor superluminal signal propagation under certain circumstances. On the other hand, high-energy nuclear collisions have a microscopic description in terms of QCD and are…
A self-consistent radiation-hydrodynamics model of an accretion channel of subcritical X-ray pulsars is constructed. The influence of the presence of resonance in the scattering cross-section on the accretion process and radiation transfer…
In this paper, we study the global well-posedness and optimal time decay rates of strong solutions to the diffusion approximation model in radiation hydrodynamics in $\mathbb{R}^3$. This model consists of the full compressible Navier-Stokes…
Non-equilibrium radiation is addressed theoretically by means of a stochastic lattice-gas model. We consider a resonating transmission line composed of a chain of radiation resonators, each at a local equilibrium, whose boundaries are in…
In this report the radial distribution functions (RDFs) of liquid water are calculated on the basis of the classical density functional theory combined with the reference interaction site model for molecular liquids. The bridge functions,…
Hydroxyl (OH) radical is the most important reactive species produced by the plasma-liquid interactions, and the OH in the liquid phase (dissolved OH radical, OHdis) takes effect in many plasma-based applications due to its high reactivity.…
In this paper we present kinetic properties such as migration and decomposition barriers of hydrogen defects in silicon calculated by Density Functional Theory (DFT) based methods. We study the following defects: H atoms (H) and ions (H+,…
A huge amount of water at supercritical conditions exists in Earth's interior, where its dielectric properties play a critical role in determining how it stores and transports materials. However, it is very challenging to obtain the static…
The experimental literature on the motion of mesoscopic probe particles through polymer solutions is systematically reviewed. The primary focus is the study of diffusive motion of small probe particles. Comparison is made with measurements…
We investigate the effect of pressure, temperature and acidity on the composition of water-rich carbon-bearing fluids at thermodynamic conditions that correspond to the Earth's deep Crust and Upper Mantle. Our first-principles molecular…
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…
We measured electron paramagnetic resonance (EPR) spectra of 14N- and 15N-labeled perdeuterated TEMPONE radicals in normal and supercooled water at various radical concentrations. By fitting the EPR spectra to spectral shape functions based…
The classical solution of the 3-D radiative hydrodynamics model is studied in $H^k$-norm under two different conditions, with and without heat conductivity. We have proved the following results in both cases. First, when the $H^k$ norm of…
The dynamics of water in electrolyte solutions exhibits a striking, ion-specific anomaly: the diffusion coefficient of water is enhanced relative to the neat liquid in chaotropic CsI solutions, yet suppressed in kosmotropic NaCl solutions.…
In hydrology, the degradation coefficient is one of the key parameters to describe the water quality change and to determine the water carrying capacity. This paper is devoted to identify the degradation coefficient in an anomalous…
We study the transport properties of a system of active particles moving at constant speed in an heterogeneous two-dimensional space. The spatial heterogeneity is modeled by a random distribution of obstacles, which the active particles…