Lecture

Monte Carlo Methods: Multi-Particle Diffusion

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Description

This lecture covers the application of Monte Carlo methods for multi-particle diffusion in cementitious materials. It explains the concept of a multi-particle Monte Carlo model, the calculation of self-diffusion coefficients, correlated motion effects on diffusion, and vacancy diffusion. The instructor demonstrates how to produce multi-particle, single species Monte Carlo simulations, the impact of site-blocking on correlated motion, and the computational efficiency of vacancy diffusion at high particle densities.

In MOOC

Sorption and transport in cementitious materials

In the MOOC: “Cement chemistry and sustainable cementitious materials”; you learned how to create more sustainable cementitious materials. But concrete is not an inert rock. It is a dynamic porous material, which can exchange water, gas and ions with its environment. Through physical and chemical interactions, these exchanges can have dramatic consequences: cracks due to shrinkage, reinforcement bars corrosion, spalling, … For a true sustainability, the durability of cementitious materials should not be f

Official source

Related concepts (32)

Mass diffusivity

Diffusivity, mass diffusivity or diffusion coefficient is usually written as the proportionality constant between the molar flux due to molecular diffusion and the negative value of the gradient in the concentration of the species. More accurately, the diffusion coefficient times the local concentration is the proportionality constant between the negative value of the mole fraction gradient and the molar flux. This distinction is especially significant in gaseous systems with strong temperature gradients.

Diffusion

Diffusion is the net movement of anything (for example, atoms, ions, molecules, energy) generally from a region of higher concentration to a region of lower concentration. Diffusion is driven by a gradient in Gibbs free energy or chemical potential. It is possible to diffuse "uphill" from a region of lower concentration to a region of higher concentration, like in spinodal decomposition. Diffusion is a stochastic process due to the inherent randomness of the diffusing entity and can be used to model many real-life stochastic scenarios.

Simulation

A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games.

Atomic diffusion

In chemical physics, atomic diffusion is a diffusion process whereby the random, thermally-activated movement of atoms in a solid results in the net transport of atoms. For example, helium atoms inside a balloon can diffuse through the wall of the balloon and escape, resulting in the balloon slowly deflating. Other air molecules (e.g. oxygen, nitrogen) have lower mobilities and thus diffuse more slowly through the balloon wall.

Simulation video game

Simulation video games are a diverse super-category of video games, generally designed to closely simulate real world activities. A simulation game attempts to copy various activities from real life in the form of a game for various purposes such as training, analysis, prediction, or entertainment. Usually there are no strictly defined goals in the game, and the player is allowed to control a character or environment freely. Well-known examples are war games, business games, and role play simulation.

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