相关论文: Robust Diffusive Proton Motions in Phase IV of Sol…
Diffusion properties of a self-avoiding polymer embedded in regularly distributed obstacles with spacing a=20 and confined in two dimensions is studied numerically using the extended bond fluctuation method which we have developed recently.…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
Hydrogen is vital for sectors like chemicals and others, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) is a key technology for the production of green hydrogen under fluctuating…
Dissipation and adhesion are important in many areas of materials science, including friction and lubrication, cold spray deposition, and micro-electromechanical systems (MEMS). Another interesting problem is the adhesion of mineral grains…
Previous research based on electronic structure calculations and molecular dynamics (MD) simulations have demonstrated that graphdiyne (GDY) is a very suitable two-dimensional membrane for the separation of small molecules in a gas mixture…
We study the experimental properties of exchange flows in a stratified inclined duct (SID), which are simultaneously turbulent, strongly stratified by a mean vertical density gradient, driven by a mean vertical shear, and continuously…
Dynamics of spreading of viscous non - volatile fluid droplets on surfaces is modelled using a solid - on - solid model, which is studied with Monte Carlo simulations. Tendency for dynamical layering and surface attraction are in part…
Turbulent diffuse molecular clouds can exhibit complicated morphologies caused by the interactions among radiation, chemistry, fluids, and fields. We performed full 3D simulations for turbulent diffuse molecular interstellar media,…
The diffusive motion of charged particles in synthetic magnetic turbulence with different properties is investigated by using numerical simulations with unprecedented dynamical range, which allow us to ensure that both the inertial range…
Computer simulations were done of the mean square displacement (MSD) of tracer particles in colloidal gels formed by diffusion or reaction limited aggregation of hard spheres. The diffusion coefficient was found to be determined by the…
Recent advancements in the ability to construct three-dimensional (3D) tissues and organoids from stem cells and biomaterials have not only opened abundant new research avenues in disease modeling and regenerative medicine but also have…
We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this…
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,…
Generic interacting many-body quantum systems are believed to behave as classical fluids on long time and length scales. Due to rapid progress in growing exceptionally pure crystals, we are now able to experimentally observe this collective…
The excimer formation dynamics of pyrene-labeled molecules in lipid bilayers depends on molecular motion over distances of the order of 1-2 nm. From the concentration dependence of the excimer photoemission curve, it is possible to derive a…
Hydrodynamical simulations of protoplanetary disk dynamics are useful tools for understanding the formation of planetary systems, including our own. Approximations are necessary to make these simulations computationally tractable. A common…
The prediction of diffusion in solids is necessary to understand the microstructure evolution in materials out of equilibrium. Although one can reasonably predict diffusive transport coefficients using atomistic methods, these approaches…
The discovery of graphene some ten years ago was the first proof of a free-standing two-dimensional (2D) solid phase. Here, using quantum molecular dynamics simulations of nanoscale gold patches suspended in graphene pores, we predict the…
Short abstract: We present fully 3-D simulations of supersonic, radiatively cooling intermittent jets with intermediate and long variability periods (that is, periods of the order of or longer than, the dynamical time scale of the jet).…
The dispersion of solute in porous media shows a non-linear increase in the transition from diffusion to advection dominated dispersion as the flow velocity is raised. In the past, the behavior in this intermediate regime has been explained…