相关论文: Direct MD simulation of liquid-solid phase equilib…

For atoms embedded in dense plasma, the plasma screening effects will greatly alter their structure and dynamics, and then determine the radiation transport properties of the plasma. In the present work, a new statistical model is proposed…

Strong electric fields in the auroral and equatorial electrojets can distort the background ion distribution function away from Maxwellian. We developed a collisional plasma kinetic model using the Boltzmann equation and a simple BGK…

Photoionization modelling allows to follow the transport, the emergence, and the absorption of photons taking into account all important processes in nebular plasmas. Such modelling needs the spatial distribution of density, chemical…

We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N + 1-component phase field models to investigate interface shapes and flow…

We study the Oxygen and Nitrogen abundances in the interstellar medium of high-redshift galaxies. We use high resolution and high signal-to-noise ratio spectra of Damped Lyman-alpha (DLA) systems detected along the line-of-sight to quasars…

Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the…

Understanding transport behavior in nanoconfined environments is critical to many natural and engineering systems, including cementitious materials, yet its molecular-level mechanisms remain poorly understood. Here, molecular dynamics (MD)…

The global coronal model COCONUT was originally developed to replace models such as the WSA model in space weather forecasting to improve the physical accuracy of the predictions. This model has, however, several simplifications implemented…

Studies on finite-size plasma have attracted a lot of attention lately. They can form by ionizing liquid droplets by lasers. The dynamical behavior of such plasma droplets is, therefore, a topic of significant interest. In particular,…

We study various temporal correlation functions of a tagged particle in one-dimensional systems of interacting point particles evolving with Hamiltonian dynamics. Initial conditions of the particles are chosen from the canonical thermal…

It is known from grand canonical simulations of a system of hard rods on two dimensional lattices that an orientationally ordered nematic phase exists only when the length of the rods is at least seven. However, a recent microcanonical…

This work studies the interaction between colliding plasma jets to understand regimes in which jet merging results in shock formation versus regimes in which the shock formation is mitigated due to the collisionless interpenetration of the…

Stable oxygen sites on a PdO film over a Pd(100) thin structures with a (sqrt{5} times sqrt{5}) R27^circ surface-unit cell are determined using the first-principles electronic structure calculations with the generalized gradient…

The dynamical evolution of hot optically thin plasmas in the ISM crucially depends on the heating and cooling processes. It is essential to realize that all physical processes that contribute operate on different time scales. In particular…

Liquid-liquid phase separation has recently emerged as an important topic in the context of cellular organization. Within this context, there are multiple poorly understood features; for instance hints of critical behavior in the plasma…

We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition is a stationary non-equilibrium state produced by a suitable…

The reliability of modeling the far-IR continuum to 13CO J=1-0 spectral line ratios applied to the Orion clouds (Wall 2006) is tested by applying the models to simulated data. The two-component models are found to give the dust-gas…

A new modified Poisson-Boltzmann equation accounting for the finite size of the ions valid for realistic salt-free concentrated suspensions has been derived, extending the formalism developed for pure salt-free suspensions [Roa et al.,…

In this paper, a new method to efficiently simulate diffusion controlled second order chemical reactions is derived and applied to site-specific DNA-binding proteins. The protein enters a spherical cell and propagates via two competing…

The interactions between an incident shock and moderately dense particle curtain are simulated with the Eulerian-Lagrangian method. A customized solver based on OpenFOAM is extended with an improved drag model and collision model, and then…