Parametrizing a Pair Distribution Function

In summary, to parametrize a radial distribution function (RDF) in terms of the time to collision, we can use the equation g(t) = g(r(t)) * v(r(t))/r(t). This allows us to understand the relationship between the RDF and the time to collision, which is a measure of how long it will take for two particles to collide given their current velocities and positions. However, this new RDF will only be valid for specific initial conditions.
  • #1
Korbid
17
0
Hi!,

If we have a bidimensional system of N particles.
How can i parametrize a radial distribution function g(r) in another single variable ?
This variable is the "time to collision", which we define as the duration of time for which two particles could continue at their current velocities before colliding.

Thank you!
 
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  • #2


Hello!

That's a great question. To parametrize a radial distribution function (RDF) in terms of the time to collision, we first need to understand the relationship between the RDF and the time to collision.

The RDF is a measure of the probability of finding a particle at a certain distance from another particle. It is typically calculated by dividing the number of particles found in a shell of width dr at a distance r from a reference particle by the total number of particles and the volume of the shell. This gives us a probability distribution function that describes the spatial arrangement of particles in the system.

On the other hand, the time to collision is a measure of how long it will take for two particles to collide given their current velocities and positions. This is dependent on the distance between the particles as well as their velocities.

To parametrize the RDF in terms of the time to collision, we can use the following equation:

g(t) = g(r(t)) * v(t)

where g(t) is the RDF as a function of time, g(r(t)) is the RDF as a function of distance, and v(t) is the probability of collision per unit time.

By substituting t = r/v, we can rewrite the equation as:

g(t) = g(r(t)) * v(r(t))/r(t)

This gives us a new RDF that is parametrized in terms of the time to collision. However, it is important to note that this new RDF will only be valid for a specific set of initial conditions, such as particle velocities and positions.

I hope this helps! Let me know if you have any other questions.


 

1. What is a pair distribution function (PDF)?

A pair distribution function is a mathematical tool used in materials science to describe the spatial distribution of particles in a system. It provides information about the probability of finding a particle at a certain distance from another particle.

2. How is a PDF calculated?

A PDF is calculated by taking the average of the number of pairs of particles at a certain distance and dividing it by the average density of particles in the system.

3. What is the purpose of parametrizing a PDF?

The purpose of parametrizing a PDF is to simplify and interpret the data obtained from the PDF calculation. It involves fitting a mathematical function to the PDF curve in order to extract information about the structure and properties of the material.

4. What types of information can be obtained from a parametrized PDF?

A parametrized PDF can provide information about the average distance between particles, the coordination number (number of nearest neighbors), and the local structure of the material.

5. How is a parametrized PDF useful in material science research?

A parametrized PDF can provide insights into the atomic structure and properties of materials, which is crucial for understanding their behavior and potential applications. It can also be used to compare different materials and track changes in their structure under different conditions.

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