Related papers: V-T theory for the Self-Intermediate Scattering Fu…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
The numerical simulation of interaction between free flow and porous media, governed by coupled Stokes/Navier--Stokes--Darcy flows, is critical for understanding fluid filtration and physiological transport, yet it is hindered by the high…
We present numerical results for the tagged-particle dynamics by solving the mode-coupling theory in confined geometry for colloidal liquids (cMCT). We show that neither the microscopic dynamics nor the type of intermediate scattering…
Atmospheric flows exhibit long-range spatiotemporal correlations manifested as the fractal geometry to the global cloud cover pattern concomitant with inverse power-law form for power spectra of temporal fluctuations of all scales ranging…
The mean-squared displacement (MSD) is an averaged quantity widely used to assess anomalous diffusion. In many cases, such as molecular motors with finite processivity, dynamics of the system of interest produce trajectories of varying…
We present mode-coupling equations for the description of the slow dynamics observed in supercooled molecular liquids close to the glass transition. The mode-coupling theory (MCT) originally formulated to study the slow relaxation in simple…
We study the phenomenon of the "walking droplet", by means of numerical fluid dynamics simulations using the Smoothed Particle Hydrodynamics numerical method. This phenomenon occurs when a millimetric drop is released on the surface of an…
The dynamics of vortex ring pairs in the homogeneous nonlinear Schr\"odinger equation is studied. The generation of numerically-exact solutions of traveling vortex rings is described and their translational velocity compared to revised…
Imaginary-time time-dependent Density functional theory (it-TDDFT) has been proposed as an alternative method for obtaining the ground state within density functional theory (DFT) which avoids some of the difficulties with convergence…
The Enskog--Vlasov (EV) equation is a semi-empiric kinetic model describing gas-liquid phase transitions. In the framework of the EV equation, these correspond to an instability with respect to infinitely long perturbations, developing in a…
Effective field theory descriptions of surface waves on flowing fluids have tended to assume that the flow is irrotational, but this assumption is often impractical due to boundary layer friction and flow recirculation. Here we develop an…
Vlasov kinetic theory is the dynamics of a bunch of particles flowing according to symplectic Hamiltonian dynamics. More recently, this geometry has been extended to contact Hamiltonian dynamics. In this paper, we introduce geometric…
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…
Learned video compression (LVC) has witnessed remarkable advancements in recent years. Similar as the traditional video coding, LVC inherits motion estimation/compensation, residual coding and other modules, all of which are implemented…
Molecular dynamics is based on solving Newton's equations for many-particle systems that evolve along complex, highly fluctuating trajectories. The orbital instability and short-time complexity of Newtonian orbits is in sharp contrast to…
Microscopic thermal machines promise to play an important role in future quantum technologies. Making such devices widely applicable will require effective strategies to channel their output into easily accessible storage systems like…
Ionic conductivity is a critical property of solid ionic conductors, directly influencing the performance of energy storage devices such as batteries. However, accurately calculating ionic conductivity or diffusion coefficient remains…
Considering the nonlinear response of non-Newtonian fluids to the local shear exerted on the bulks of fluid, the initially quasi-uniform distribution of the particles might be subject to alteration as well, due to the unbalanced force…
It has been paid little or no attention to the implications that turbulent fragmentation has on the validity of at least six common assumptions on the Virial Theorem (VT), which are: (i) the only role of turbulent motions within a cloud is…
The present study proposes a general kinematic theory for fluid-element rotation and intrinsic vorticity decompositions within the context of vorticity and vortex dynamics. Both the angular velocities of material line and surface elements…