Related papers: Lattice simulation method to model diffusion and N…
Chemical reactions inside cells are generally considered to happen within fixed-size compartments. Needless to say, cells and their compartments are highly dynamic. Thus, such stringent assumptions may not reflect biochemical reality, and…
Background: Monte Carlo simulations of diffusion are commonly used as a model validation tool as they are especially suitable for generating the diffusion MRI signal in complicated tissue microgeometries. New method: Here we describe the…
This study presents a new computational approach for simulating the microbial decomposition of organic matter, from 3D micro-computed tomography (micro-CT) images of soil. The method employs a valuated graph of connected voxels to simulate…
Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity in compositionally complex alloys poses challenges for…
Mathematically modeling complex transport phenomena at the molecular level can be a powerful tool for identifying transport mechanisms and predicting macroscopic properties. We use two different stochastic time series models, parameterized…
We study the kinetics of the redistribution of impurity atoms in the elastic fields of dislocations by computer simulation methods. A work consists of several stages. The first is the simulation of a dislocation core structure with a…
A model of randomly distributed overlapping spheres of different radii is represented to describe a heterogeneous porous medium. Two-particle correlation function of the relative position of pores of different radii in the medium space was…
A rigid-plastic Cosserat model has been used to study dense, fully developed flow of granular materials through a vertical channel. Frictional models based on the classical continuum do not predict the occurrence of shear layers, at…
Formation of random network of DNA strands is simulated on a two-dimensional triangular lattice. We investigate the size distribution of pores in the network. The results are interpreted within theory of percolation on Bethe lattice.
Recent studies have indicated that the coarse grained dynamics of a large class of traffic models and driven-diffusive systems may be described by urn models. We consider a class of one-dimensional urn models whereby particles hop from an…
There are indications that interstellar and interplanetary dust grains have an inhomogeneous and fluffy structure. We investigate different methods to describe light scattering by such composite particles. Both a model of layered particles…
Modelling the diffusion-relaxation magnetic resonance (MR) signal obtained from multi-parametric sequences has recently gained immense interest in the community due to new techniques significantly reducing data acquisition time. A preferred…
Spreading uniform and dense layers is of paramount importance to creating high-quality components using powder bed additive manufacturing (AM). Blade-like tools are often employed for spreading powder metal feedstocks, especially in laser…
We present results on tagged particle diffusion in a meso-scale lattice model for sheared amorphous material in athermal quasi-static conditions. We find a short time diffusive regime and a long time diffusive regime whose diffusion…
We present an analytical and numerical study of a nonlinear diffusion model which describes density relaxation of loosely packed particles under gravity and weak random (thermal) vibration, and compare the results with Monte Carlo…
We use a numerical electromagnetic simulation software to investigate a filtering device consisting of a small dimensional microstrips embedded with a thin layer of ferromagnetic material and we compare our results to experimental results.…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…
The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…
Based on a coarse-grained model, we carry out molecular dynamics simulations to analyze the diffusion of a small tracer particle inside a cylindrical channel whose inner wall is covered with randomly grafted short polymeric chains. We…
The structural characterization is an essential task in the study of porous materials. To achieve reliable results, it requires to evaluate images with hundreds of pores. Current methods require large time amounts and are subjected to human…