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We investigate the impact on convective numerical simulations of thermo-compositional diabatic processes. We focus our study on simulations with a stabilizing temperature gradient and a destabilizing mean-molecular weight gradient. We aim…
We introduce novel approximate systems for dispersive and diffusive-dispersive equations with nonlinear fluxes. For purely dispersive equations, we construct a first-order, strictly hyperbolic approximation. Local well-posedness of smooth…
We introduce a framework for designing efficient diffusion models for $d$-dimensional symmetric-space Riemannian manifolds, including the torus, sphere, special orthogonal group and unitary group. Existing manifold diffusion models often…
The reversible reactions like A+B <-> C in the many-component diffusive system affect the diffusive properties of the constituents. The effective conjugation of irreversible processes of different dimensionality takes place due to the…
In this paper, we perform molecular dynamics (MD) simulations to study the random packing of spheres with different particle size distributions. In particular, we deal with non-Gaussian distributions by means of the L\'evy distributions.…
Y-doped BaZrO$_3$ is a promising proton conductor for intermediate temperature solid oxide fuel cells. In this work, a combination of static DFT calculations and DFT based molecular dynamics (DFT-MD) was used to study proton conduction in…
When analyzing the broadband absorption spectrum of liquid water (10^10 - 10^13 Hz), we find its relaxation-resonance features to be an indication of Frenkel's translation-oscillation motion of particles, which is fundamentally inherent to…
Spherical flows are a classic problem in astrophysics which are typically studied from a global perspective. However, much like with accretion discs, there are likely many instabilities and small scale phenomena which would be easier to…
A high-fidelity finite volume scheme based on the BVD (boundary variation diminishing) concept is proposed in this study to solve the ideal magnetohydrodynamics (MHD) equations. A hybrid spatial reconstruction profile, consisting of a…
Studies of quantum thermal effects on molecular excitation dynamics have often relied on oversimplified models, such as energy eigenstates or low-dimensional potentials, which fail to capture the complexity of real chemical systems. In…
Porous materials are widely used for applications in gas storage and separation. The diffusive properties of a variety of gases in porous media can be modeled using molecular dynamics simulations that can be computationally demanding…
We report a new phenomenon, called self-recovery, in the process of diffusion in a region with boundary. Suppose that a diffusing quantity is uniformly distributed initially and then gets excited by the change in the boundary values over a…
This study deals with continuous limits of interacting one-dimensional diffusive systems, arising from stochastic distortions of discrete curves with various kinds of coding representations. These systems are essentially of a…
We present results on tagged particle diffusion in a meso-scale lattice model for sheared amorphous material in athermal quasi-static conditions. We find a short time diffusive regime and a long time diffusive regime whose diffusion…
We study many-particle diffusion in 2D colloidal suspensions with full hydrodynamic interactions through a novel mesoscopic simulation technique. We focus on the behaviour of the effective scaled tracer and collective diffusion coefficients…
Understanding the complex interplay between morphologic and hemodynamic features in aortic dissection is critical for risk stratification and for the development of individualized therapy. This work evaluates the effects of entry and exit…
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…
Measurements of atmosphere-surface exchange are largely limited by the availability of fast-response gas analyzers; this limitation hampers our understanding of the role of terrestrial ecosystems in atmospheric chemistry and global change.…
We present a full investigation into shock wave profile description using hydrodynamics models. We identified constitutive equations that provide better agreement for all parameters involved in testing hydrodynamic equations for the…
We report results on the geometrical statistics of the vorticity vector obtained from experiments in electromagnetically forced rotating turbulence. A range of rotation rates $\Omega$ is considered, from non-rotating to rapidly rotating…