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Mod 3 Part 2
Mod 3 Part 2
1. Continuum approach
The continuum approach is a method used in numerical simulations to model
the behaviour of continuous systems, such as fluids or solids or electromagnetic fields.
It is based on the idea that the properties of a system can be described by a set of
continuous variables, such as density, pressure, velocity, etc., that vary smoothly
across the system. These variables are typically defined at each point in space and
time, and are used to describe the behaviour of the system over a range of scales.
The continuum approach is used in a wide range of fields, including fluid
dynamics, solid mechanics, heat transfer, and electromagnetism. It is particularly
useful for simulating systems that involve a large number of particles or that have
complex boundary conditions, as it allows for a relatively simple mathematical
description of the system. Some of the most well-known continuum models include the
Navier-Stokes equations for fluid dynamics and the elasticity equations for solid
mechanics.
Mesoscale simulations are particularly useful for modelling systems that exhibit
a high degree of heterogeneity or that involve complex interactions between different
types of particles. Examples of systems that can be modelled using mesoscale
simulations include granular materials, biomolecules, colloids, and polymers. That
means, this approach is particularly suitable for material modelling and simulation.
Micro-scale simulations are particularly useful for studying systems that involve
a high degree of chemical specificity, such as the behaviour of individual molecules in
a chemical reaction, or the properties of materials at the atomic or molecular level.
Examples of systems that can be modelled using micro scale simulations include
biomolecules, catalysts, and materials for electronic and optical applications.
Micro scale simulations are often performed using methods such as density
functional theory (DFT), molecular dynamics (MD), and Monte Carlo (MC) methods.
These methods can provide detailed information about the electronic structure,
chemical bonding, and thermodynamic properties of the system.
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Scientific Method