相关论文: Simulating the evolution of soot mixing state with…

The accuracy obtained with CFD and process simulations of flotation critically depends on the quality and robustness of the underlying models for the non-resolved sub-processes. An important issue in flotation is the collision between…

Starting with a microscopic (individual-based) Brownian dynamics model of charged particles (ions), its macroscopic description is derived as a system of partial differential equations that govern the evolution of ion concentrations in…

We present a new numerical model to simulate settling trajectories of discretized individual or a mixture of particles of different geometrical shapes in a quiescent fluid and their flow trajectories in a flowing fluid. Simulations unveiled…

A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that…

The particle showers produced in the atmosphere due to the interactions of primary cosmic particles require a thorough understanding in the backdrop of searches for rare interactions. In this work, we made a comprehensive study of air…

In this paper, a useful reinterpretation of the city as a porous medium justifies the application of well-known models on fluid dynamics to develop a multi-model study of urban air pollution due to traffic flow in a large city. Thus, to…

The building of mathematical and computer models of cities has a long history. The core elements are models of flows (spatial interaction) and the dynamics of structural evolution. In this article, we develop a stochastic model of urban…

In this work, we study the long time asymptotics of a coagulation model which describes the evolution of a system of particles characterized by their volume and surface area. The aggregation mechanism takes place in two stages: collision…

The construction of coarse-grained descriptions of a system's kinetics is well established in biophysics. One prominent example is Markov state models in protein folding dynamics. In this paper, we develop a coarse-grained, discrete state…

We present a new algorithm, MULTIGRAIN, for modelling the dynamics of an entire population of small dust grains immersed in gas, typical of conditions that are found in molecular clouds and protoplanetary discs. The MULTIGRAIN method is…

Three dimensional molecular dynamics simulations of cohesive dissipative powders under a plane shear are performed. We find the various phases depending on the dimensionless shear rate and the dissipation rate as well as the density. We…

We study the behavior of an assembly of $N$ granular particles contained in two compartments within a simple kinetic approach. The particles belonging to each compartment collide inelastically with each other and are driven by a stochastic…

We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…

Mean field approximation treats only coherent aspects of the evolution of a Bose Einstein condensate. However, in many experiments some atoms scatter out of the condensate. We study an analytic model of two counter-propagating atomic…

Planet formation in the discs around young stars involves the coagulation of sub-micron sized dust grains into much larger grains that may be mixed by turbulence and migrate through the disc. In this paper, we describe how we have combined…

In this work, we consider a differential description of the evolution of the state of a reaction-diffusion system under environmental fluctuations. We are interested in estimating the state of the system when only partial observations are…

Hierarchical multiplex imaging approaches generate spatially resolved single-cell measurements across multiple, spatially organized fields of view (FOVs) within patient tumor specimens, thereby enabling systematic investigation of how the…

Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt dissolved in methanol solvent. Four united atom force fields…

We study dynamics of clustering in systems containing active particles that are immersed in an explicit solvent. For this purpose we have adopted a hybrid simulation method, consisting of molecular dynamics and multi-particle collision…

While accurate simulations of dense gas flows far from the equilibrium can be achieved by Direct Simulation adapted to the Enskog equation, the significant computational demand required for collisions appears as a major constraint. In order…