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Related Concept Videos

Kinetic Energy00:23

Kinetic Energy

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Kinetic energy is the ability of an object in motion to do work or enact change. It can take on many forms. For instance, water flowing down a waterfall has kinetic energy. In biological systems, particles of light travel and are absorbed by plants to create chemical energy. Animals consume the chemical energy and give off molecules that carry their scent through the air. They also generate kinetic energy when they run away from predators. Entire systems also possess kinetic energy, like the...
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Enzyme Kinetics01:19

Enzyme Kinetics

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Enzymes speed up reactions by lowering the activation energy of the reactants. The speed at which the enzyme turns reactants into products is called the rate of reaction. Several factors impact the rate of reaction, including the number of available reactants. Enzyme kinetics is the study of how an enzyme changes the rate of a reaction.
Scientists typically study enzyme kinetics with a fixed amount of enzyme in the controlled environment of a test tube. When more reactant, or substrate, is...
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Kinetic Molecular Theory: Molecular Velocities, Temperature, and Kinetic Energy03:07

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The kinetic molecular theory qualitatively explains the behaviors described by the various gas laws. The postulates of this theory may be applied in a more quantitative fashion to derive these individual laws.
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Elimination Kinetics: First-Order and Zero-Order01:05

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Eliminating drugs from the body is a vital process that occurs through excretion or metabolism. Understanding the kinetics of drug elimination is crucial for drug development, dosage determination, and optimizing patient outcomes.
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Kinetic Friction01:26

Kinetic Friction

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Consider a truck trying to pull a stationary car. As the truck exerts a force on the car, static friction is created at the point of contact between the two surfaces. This frictional force resists the car's movement and keeps it at rest. However, when the applied force by the truck surpasses the limiting static frictional force, an interesting phenomenon occurs. The frictional force at the interface reduces to a lower value, known as the kinetic frictional force. At this point, the car...
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Kinetic Energy - I01:18

Kinetic Energy - I

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It’s plausible to suppose that the greater the velocity of a body, the greater effect it could have on other bodies. This does not depend on the direction of the velocity, only its magnitude. At the end of the seventeenth century, a quantity was introduced into mechanics to explain collisions between two perfectly elastic bodies, in which one body makes a head-on collision with an identical body at rest. When they collide, the first body stops, and the second body moves off with the...
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Related Experiment Video

Updated: Jan 25, 2026

Setting Up a Stroke Team Algorithm and Conducting Simulation-based Training in the Emergency Department - A Practical Guide
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A Practical Guide to Surface Kinetic Monte Carlo Simulations.

Mie Andersen1, Chiara Panosetti1, Karsten Reuter1

  • 1Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München, Garching, Germany.

Frontiers in Chemistry
|April 27, 2019
PubMed
Summary

This guide introduces lattice kinetic Monte Carlo (KMC) simulations for surface science. It covers KMC modeling, pitfalls, and applications in surface diffusion, crystal growth, and catalysis using the kmos code.

Keywords:
crystal growthheterogeneous catalysiskinetic Monte Carlolateral interactionslattice gas modelsensitivity analysissurface diffusion

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Area of Science:

  • Computational materials science
  • Surface science and catalysis

Background:

  • Kinetic Monte Carlo (KMC) simulations are crucial for modeling surface and interface phenomena.
  • Newcomers often face challenges in implementing KMC models and deriving rate constants.

Purpose of the Study:

  • To provide a practical guide for beginners in lattice KMC simulations.
  • To illustrate KMC modeling with examples using the kmos code.
  • To address common pitfalls and advanced topics in KMC applications.

Main Methods:

  • Detailed explanation of mapping problems onto a lattice.
  • Derivation of rate constant expressions for elementary processes.
  • Worked-out examples in surface diffusion, crystal growth, and heterogeneous catalysis.

Main Results:

  • Demonstration of KMC model sensitivity to elementary processes and rate constants.
  • Methods for overcoming timescale disparities in complex systems.
  • Techniques for incorporating lateral interactions in KMC models.

Conclusions:

  • Lattice KMC is a powerful tool for surface and interface applications.
  • Careful model implementation and rate constant derivation are essential for accurate simulations.
  • Advanced algorithms and consideration of lateral interactions improve KMC model reliability.