What is the change of variables for Lennard-Jones potential?

In summary, the conversation discusses the Lennard-Jones potential formula and the use of a new unitless variable, X=r/\sigma, to simplify the equation. There is a question on how to proceed with the problem and the suggestion is made to replace r/\sigma with X in the equation. However, the questioner is still unable to arrive at the desired proof and asks for further clarification. The responder notes that the use of X is just a change of variables and may not have any special meaning.
  • #1
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Homework Statement


[PLAIN]http://img94.imageshack.us/img94/4287/len2.jpg

Homework Equations


[PLAIN]http://img710.imageshack.us/img710/2428/len1y.jpg


The Attempt at a Solution


I know my way around the Lennard-Jones potential formula, but this question stumps me.

Any clues on how to proceed are greatly thanked!
 
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  • #2
Just define a new unitless variable as [itex]X=r/\sigma[/itex].
 
  • #3
nickjer said:
Just define a new unitless variable as [itex]X=r/\sigma[/itex].


I used your defined variable and plugged it in, but still cannot arrive at the proof given in the question, could you possibly expand further?

Thank you!
 
  • #4
I wouldn't call that a proof. You are just doing a change of variables. You can replace [itex]r/\sigma[/itex] with [itex]X[/itex] in the above equation. Unless 'X' has a meaning that I am unaware of.
 
  • #5


The change of variables for the Lennard-Jones potential can be derived from the equation provided in the homework. It involves replacing the distance between two particles, r, with a new variable, u, which is defined as u = (r/σ)^6. This substitution allows for simplification of the equation and makes it easier to solve for the potential energy between two particles. Additionally, this change of variables helps to better understand the behavior of the potential at different distances, as it shows that the potential energy decreases rapidly as the distance between particles increases. This change of variables is commonly used in molecular dynamics simulations and other studies involving the Lennard-Jones potential.
 

What is the Lennard-Jones Potential?

The Lennard-Jones Potential is a mathematical model that describes the potential energy between two neutral atoms or molecules as a function of their distance. It is commonly used in molecular dynamics simulations to study the interactions between particles.

What are the parameters in the Lennard-Jones Potential?

The two main parameters in the Lennard-Jones Potential are the strength of the interaction (epsilon) and the distance at which the potential is zero (sigma). These parameters can be adjusted to model different types of particles and their interactions.

How is the Lennard-Jones Potential calculated?

The Lennard-Jones Potential is calculated by using the following equation: V(r) = 4 * epsilon * [(sigma/r)^12 - (sigma/r)^6], where V(r) is the potential energy at a given distance r between two particles. This potential energy curve has a minimum at a distance of sigma, which represents the equilibrium distance between the particles.

What is the physical significance of the Lennard-Jones Potential?

The Lennard-Jones Potential is often used to model the intermolecular forces between particles. It takes into account both attractive forces (van der Waals forces) and repulsive forces (steric hindrance) between particles. It can also be used to study phase transitions and the properties of gases, liquids, and solids.

What are the limitations of the Lennard-Jones Potential?

The Lennard-Jones Potential is a simplified model that does not take into account many real-world factors such as dipole-dipole interactions, hydrogen bonding, and quantum mechanical effects. It is also limited to describing interactions between neutral particles and cannot be used to model charged particles. In addition, the potential energy curve can only accurately describe interactions within a certain range of distances.

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