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We report a detailed computational study by Brownian Dynamics simulations of the structure and dynamics of a liquid of patchy particles which develops an amorphous tetrahedral network upon decreasing temperature. The highly directional…
We consider a system of nonlinear partial differential equations modelling the steady motion of an incompressible non-Newtonian fluid, which is chemically reacting. The governing system consists of a steady convection-diffusion equation for…
The unsteady Micropolar Navier-Stokes Equations (MNSE) are a system of parabolic partial differential equations coupling linear velocity and pressure with angular velocity: material particles have both translational and rotational degrees…
Consider a colloidal suspension of rigid particles in a steady Stokes flow. In a celebrated work, Einstein argued that in the regime of dilute particles the system behaves at leading order like a Stokes fluid with some explicit effective…
We study an elliptic-parabolic system of partial differential equations describing formation of biological network structures. The model takes into consideration the evolution of the permeability tensor under the influence of a diffusion…
Far from being conclusively understood, the reactive interaction of water with rutile does still present a challenge to atomistic modelling techniques rooted on quantum mechanics. We show that static geometries of stoichiometric…
Stochastic differential equations (SDEs) are established tools to model physical phenomena whose dynamics are affected by random noise. By estimating parameters of an SDE intrinsic randomness of a system around its drift can be identified…
We study the diffusion-reaction-advection model for mobile chemical species together with the dissolution and precipitation of immobile species in a porous medium at the micro-scale. This leads to a system of semilinear parabolic partial…
The complex behavior of liquid ${}^4$He and liquid ${}^3$He in nanoporous media is determined by influence of randomly distributed geometrical confinement as well as by significant contribution from the atoms near walls. In the present…
Sticky diffusion models a Markovian particle experiencing reflection and temporary adhesion phenomena at the boundary. Numerous numerical schemes exist for approximating stopped or reflected stochastic differential equations (SDEs), but…
We present a comprehensive computational study of the short-time transport properties of bidisperse neutral colloidal suspensions and the corresponding porous media. Our study covers bidisperse particle size ratios up to $4$, and total…
A systematic Bayesian framework is developed for physics constrained parameter inference ofstochastic differential equations (SDE) from partial observations. The physical constraints arederived for stochastic climate models but are…
The coupling interactions between deformable structures and unsteady fluid flows occur across a wide range of spatial and temporal scales in many engineering applications. These fluid-structure interactions (FSI) pose significant challenges…
Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…
Ab initio molecular dynamics simulation is used to study the structure and electronic properties of the liquid Ga-Se system at the three compositions Ga$_2$Se, GaSe and Ga$_2$Se$_3$, and of the GaSe and Ga$_2$Se$_3$ crystals. The calculated…
We develop a quantum representation for Newtonian viscous fluid flows by establishing a mapping between the Navier-Stokes equation (NSE) and the Schr\"odinger-Pauli equation (SPE). The proposed nonlinear SPE incorporates the two-component…
We numerically and experimentally investigate evaporation of a sessile droplet on a heated substrate. We develop a finite element (FE) model in two-dimensional axisymmetric coordinates to solve coupled transport of heat in the droplet and…
We investigate the formation, stability, and dynamics of solitons in a one-dimensional binary Bose-Einstein condensate under the action of the spin-orbit-coupling (SOC) and Lee-Huang-Yang (LHY) correction to the underlying system of the…
In Rajeev (2013), 'Translation invariant diffusion in the space of tempered distributions', it was shown that there is an one to one correspondence between solutions of a class of finite dimensional SDEs and solutions of a class of SPDEs in…
The statistical nature of discrete fluid molecules with random thermal motion so far has not been considered in mainstream fluid mechanics based on Navier-Stokes equations, wherein fluids have been treated as a continuum breaking into many…