Active Model H: Scalar Active Matter in a Momentum-Conserving Fluid

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.

Motility-induced phase separation and coarsening in active matter

Active systems, or active matter, are self-driven systems that live, or function, far from equilibrium - a paradigmatic example that we focus on here is provided by a suspension of self-motile particles. Active systems are far from equilibrium because their microscopic constituents constantly consume energy from the environment in order to do work, for instance to propel themselves. The non-equilibrium nature of active matter leads to a variety of non-trivial intriguing phenomena.

Machine learning assisted droplet trajectories extraction in dense emulsions

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.

Capturing Free-Radical Polymerization by Synergetic Ab Initio Calculations and Topological Reactive Molecular Dynamics

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.

Formation of calcium phosphate nanoparticles in the presence of carboxylate molecules: a time-resolved in situ synchrotron SAXS and WAXS study

In this work we have studied in situ the formation and growth of calcium phosphate (CaP) nanoparticles (NPs) in the presence of three calcium-binding carboxylate molecules having different affinities for Ca2+ ions: citrate (Cit), hydroxycitrate (CitOH), and glutarate (Glr). The formation of CaP NPs at several reaction temperatures ranging from 25 degrees C to 80 degrees C was monitored in situ through simultaneous Small and Wide X-ray Scattering (SAXS/WAXS) using synchrotron light. SAXS was used to investigate the first stages of NP formation where a crystalline order is not yet formed.

Simulating Polymerization by Boltzmann Inversion Force Field Approach and Dynamical Nonequilibrium Reactive Molecular Dynamics

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.

Radiation-reaction and angular momentum loss at the second Post-Minkowskian order

We compute the variation of the Fokker-Wheeler-Feynman total linear and angular momentum of a gravitationally interacting binary system under the second post-Minkowskian retarded dynamics. The resulting OðG2Þ equations-of-motion-based, total change in the system's angular momentum is found to agree with existing computations that assumed balance with angular momentum fluxes in the radiation zone.

Asymptotic solutions of non-linear implicit Volterra discrete equations

In this paper we study non-linear implicit Volterra discrete equations of convolution type and give sufficient conditions for their solutions to converge to a finite limit. These results apply to the stability analysis of linear methods for implicit Volterra integral equations. An application is given to the numerical study of the final size of an epidemic modelled by renewal equations

Approach to iron corrosion via the numerical simulation of a galvanic cell

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