Normalization of a pair distribution function

In summary, the conversation is about a simulation involving a potential and calculating the radial distribution function. The speaker is having trouble understanding how the other pair distribution function is normalized, as it is done using arbitrary units and the proportional to sign. BvU offers to help, but asks for clarification on how the radial distribution function was calculated. The speaker responds by explaining their method using Python and normalizing the histogram with respect to an ideal gas. However, they are still struggling with the normalization of the other pair distribution function.
  • #1
Korbid
17
0
Hi,

i'm performing a simulation about this potential http://motion.cs.umn.edu/PowerLaw/
I calculated the radial distribution function succesfully but i don't know how these guys are normalized the other pair distribution function, as a function of time to collision.

Could anyone help me?

Thanks!
 
Physics news on Phys.org
  • #2
These guys do everything with the proportional to sign ##\propto##, and they use arbitrary units (or don't mention units at all), so that's going to be difficult. Could you specify what you did to calculate the radial distribution function succesfully and what you meant with that statement ? I, for one, have no idea what it means if g(r) = 5 at r = 0.5 m (fig 1, top).
 
  • #3
BvU,
first thanks to answering me.

i'm performing the same simulation with Python programming language.
The radial distribution function has been determined by calculating the distance between all particle pairs and binning them into a histogram. The histogram is then normalized with respect to an ideal gas. For two dimensions, this normalization is the number density of the system multiplied by the area enclosed between two circles with radius determined by two consecutives bins.

My issue is about the other pair distribution function (time to collision).
I need to know how they are normalized the function because i calculated the time to collision and binning them into a histogram but my results are wrong.
 

Related to Normalization of a pair distribution function

1. What is the purpose of normalizing a pair distribution function?

The purpose of normalizing a pair distribution function (PDF) is to remove the dependence of the PDF on the total number of particles in the system. This allows for a more accurate comparison of PDFs from different systems or at different thermodynamic conditions.

2. How is a pair distribution function normalized?

A pair distribution function is typically normalized by dividing each value by the total number of particles in the system and the volume of the system. This results in a normalized PDF with values between 0 and 1.

3. What is the significance of the normalization constant in a pair distribution function?

The normalization constant in a pair distribution function is important because it ensures that the integral of the PDF over all distances is equal to the total number of particles in the system. This allows for the interpretation of the PDF as a probability distribution function.

4. Can a pair distribution function be normalized to a different value?

Yes, a pair distribution function can be normalized to a different value depending on the specific needs of the analysis. For example, in some cases, the PDF may be normalized to the coordination number, which is the average number of particles within a certain distance from a reference particle.

5. How does normalization affect the shape of a pair distribution function?

Normalization does not affect the general shape of a pair distribution function, but it does change the y-axis scale. The overall shape of the PDF is determined by the structure and interactions of the particles in the system, while normalization simply adjusts the scale for comparison purposes.

Similar threads

  • Classical Physics
Replies
3
Views
271
  • Set Theory, Logic, Probability, Statistics
Replies
7
Views
1K
  • Classical Physics
Replies
1
Views
836
  • Programming and Computer Science
Replies
1
Views
660
Replies
24
Views
2K
  • Advanced Physics Homework Help
Replies
19
Views
574
  • Engineering and Comp Sci Homework Help
Replies
1
Views
813
  • Set Theory, Logic, Probability, Statistics
Replies
5
Views
2K
  • Set Theory, Logic, Probability, Statistics
Replies
1
Views
1K
  • Other Physics Topics
Replies
2
Views
2K
Back
Top