The capability to simulate a two-way coupled interaction between a rarefied gas and an arbitrary-shaped colloidal particle is important for many practical applications, such as aerospace engineering, lung drug delivery, and semiconductor manufacturing. By means of numerical simulations based on the direct-simulation Monte Carlo (DSMC) method, we investigate the influence of the orientation of the particle and rarefaction on the drag and lift coefficients, in the case of prolate and oblate ellipsoidal particles immersed in a uniform ambient flow.

We present a continuum theory of self-propelled particles, without alignment interactions, in a momentum-conserving solvent. To address phase separation, we introduce a dimensionless scalar concentration field ? with advective-diffusive dynamics. Activity creates a contribution ? to the deviatoric stress, where is odd under time reversal and d is the number of spatial dimensions; this causes an effective interfacial tension contribution that is negative for contractile swimmers.

We analyze a second-order accurate implicit-symplectic (IMSP) scheme for reaction-diffusion systems modeling spatiotemporal dynamics of predator-prey populations. We prove stability and errors estimates of the semi-discrete-in-time approximations, under positivity assumptions. The numerical simulations confirm the theoretically derived rates of convergence and show an improved accuracy in the second-order IMSP in comparison with the first-order IMSP, at same computational cost.

The radical polymerization process of acrylate compounds is, nowadays, numerically investigated using classical force fields and reactive molecular dynamics, with the aim to probe the gel-point transition as a function of the initial radical concentration. In the present paper, the gel-point transition of the 1,6-hexanediol dimethacrylate (HDDMA) is investigated by a coarser force field which grants a reduction in the computational costs, thereby allowing the simulation of larger system sizes and smaller radical concentrations.

This work analyzes trajectories obtained by YOLO and DeepSORT algorithms of dense emulsion systems simulated via lattice Boltzmann methods. The results indicate that the individual droplet's moving direction is influenced more by the droplets immediately behind it than the droplets in front of it. The analysis also provide hints on constraints of a dynamical model of droplets for the dense emulsion in narrow channels.

Motivation: Binary (or Boolean) matrices provide a common effective data representation adopted in several domains of computational biology, especially for investigating cancer and other human diseases. For instance, they are used to summarize genetic aberrations--copy number alterations or mutations--observed in cancer patient cohorts, effectively highlighting combinatorial relations among them. One of these is the tendency for two or more genes not to be co-mutated in the same sample or patient, i.e. a mutual-exclusivity trend.

A mathematical model of the galvanic iron corrosion is, here, presented. The iron(III)-hydroxide formation is considered together with the redox reaction. The PDE system, assembled on the basis of the fundamental holding electro-chemistry laws, is numerically solved by a locally refined FD method. For verification purpose we have assembled an experimental galvanic cell; in the present work, we report two tests cases, with acidic and neutral electrolitical solution, where the computed electric potential compares well with the measured experimental one

The SOC change index, defined as the normalized difference between the actual Soil Organic Carbon and the value assumed at an initial reference year, is here tailored to the RothC carbon model dynamics. It assumes as a baseline the value of the SOC equilibrium under constant environmental conditions. A sensitivity analysis is performed to evaluate the response of the model to changes in temperature, Net Primary Production (NPP), and land use soil class (forest, grassland, arable).

Photocurable polymers are used ubiquitously in 3D printing, coatings, adhesives, and composite fillers. In the present work, the free radical polymerization of photocurable compounds is studied using reactive classical molecular dynamics combined with a dynamical approach of the nonequilibrium molecular dynamics (D-NEMD). Different concentrations of radicals and reaction velocities are considered.