Hard disk radial distribution function

In summary, the person running a hard disks molecular dynamics simulation wants to compare the radial distribution function from their simulation with a theoretical radial distribution function. However, in statistical physics, there are various theories for hard-core interactions and it is difficult to determine which one is accurate. The individual suggests comparing to experiment or another computer simulation to test the accuracy of the results. They also mention that searching for "hard disk fluid radial distribution function" on Google Scholar yields many results, indicating that it is a common model and observable in this field.
  • #1
Jeno
17
0
Hi, i am running a hard disks molecular dynamics simulation. I would like to compare the radial distribution function obtained from my simulation with the theoretical radial distribution function. May i know what is the theoretical radial distribution function? Or what data do people normally compare with when they do molecular dynamic simulation?

Thank you.
 
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  • #2
In statistical physics, there is not "the theory", but a variety of theory approaches. From my experience, theory for hard-core interactions is unreliable. I'm working on a model with hard-core interaction for which a whole zoo of theory approaches and results exist - and most of them are wrong. I don't know how accurate correlation functions from theory predictions are. But I would not compare radial distribution functions to theory results unless I have reason to believe this particular result to be correct (of course you can be pragmatic, compare, and call the theory result correct if it fits your data :biggrin:). One option is to compare to experiment. Assuming you want to test your code: just compare to a different computer simulation (worst case I could dig out my old Monte Carlo code, but you probably want to compare against published data, anyways). Also note that searching Google Scholar for "hard disk fluid radial distribution function" gives about 24000 hits; it's not exactly an exotic model or observable that you are looking at.
 

1. What is a hard disk radial distribution function?

A hard disk radial distribution function is a mathematical function that describes the average number of particles in a given distance from a central particle in a hard disk system. It is used to understand the spatial arrangement and ordering of particles in a hard disk system.

2. How is the hard disk radial distribution function calculated?

The hard disk radial distribution function is calculated by dividing the average number of particles in a certain distance range by the number of particles and the volume of the system. This calculation is repeated for different distance ranges, resulting in a radial distribution curve.

3. What information can be obtained from the hard disk radial distribution function?

The hard disk radial distribution function can provide information about the spatial distribution of particles in a hard disk system, including the presence of ordering or clustering. It can also be used to calculate other properties such as the average density and pressure of the system.

4. What factors can affect the shape of the hard disk radial distribution function?

The shape of the hard disk radial distribution function can be affected by factors such as the size and shape of the particles, the temperature and density of the system, and the interactions between particles. In general, a more ordered system will have a sharper and higher peak in the radial distribution function.

5. How is the hard disk radial distribution function used in research?

The hard disk radial distribution function is commonly used in research to study the structure and behavior of hard disk systems, such as colloidal suspensions and granular materials. It is also used in computer simulations to validate and improve models of these systems. Additionally, the radial distribution function can be used to compare experimental data with theoretical predictions and to study phase transitions in hard disk systems.

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