Lennard-Jones-Potential: Equation of motion

In summary, the task was to find an equation of motion for a given potential and the attempt at a solution involved using the equation for conservative force and finding the acceleration as a function of time. The solution was found to be in the form of a time-independent equation of motion.
  • #1
TanGeriN
5
0

Homework Statement



Hello everybody,

i have got the following task to solve.

Given the following potential: [itex]U_{LJ}(\vec{r}) = D \Big[ \big( \frac{R}{r}\big)^{12} - 2* \big(\frac{R}{r} \big)^{6} \Big] [/itex]
where r means the length of [itex] \vec{r} [/itex]

Give an equation of motion explicitly of the form [itex] m * \frac{\partial^{2} \vec{x}}{\partial t^{2}} = -\nabla U_{LJ}(\vec{r})[/itex]

Homework Equations



I normally have no problem to find the conservative force for a given potential. I would simply use this equation: [itex] \vec{F}(\vec{r}) = -\nabla U(\vec{r})[/itex]

The Attempt at a Solution



I finally got this equation of motion with respect to x:

[itex]\vec{F} = - \frac{\partial}{\partial x} U_{LJ}(\vec{r})\\
\\
\vec{F} = - \Bigg[ \frac{\partial}{\partial x}D \Big[ \big(\frac{R}{x}\big)^{12} - 2* \big(\frac{R}{x}\big)^{6} \Big] \Bigg] \\
\\
\vec{F} = - \Bigg[ D * \Big[ 12 * \big(\frac{R}{x}\big)^{11} * \big(-\frac{R}{x^2}\big) - 12* \big(\frac{R}{x}\big)^{5} * \big(-\frac{R}{x^2}\big) \Big] \Bigg] \\
\\
\vec{F} = 12 * D * \Big[ \big(\frac{R^6}{x^7}\big) - \big(\frac{R^{12}}{x^{13}}\big) \Big] \\[/itex]

I am not sure if this is really the solution to the task above, because it was explicitly asked for an equation of motion with respect to time. On the other hand the acceleration is a function with respect to time and part of the equation of force (Newtons second law). I am a little bit confused now, so can anybody tell me if i have the right solution? If not, please tell me what i did wrong. I thank you all in advance for every kind of help for this solution.
 
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  • #2
It looks good to me. Do they really ask for the equation of motion as a time-dependent equation? If they just said "Give an equation of motion explicitly of the form..." then I'm pretty sure you've done what they wanted you to do.
 

FAQ: Lennard-Jones-Potential: Equation of motion

What is the Lennard-Jones potential?

The Lennard-Jones potential is a mathematical model used to describe the interaction between two particles in a system. It takes into account both attractive and repulsive forces between the particles and is commonly used in the study of intermolecular interactions.

How is the Lennard-Jones potential expressed mathematically?

The Lennard-Jones potential is expressed as the sum of two terms: an attractive term and a repulsive term. The attractive term decreases as the particles get closer together, while the repulsive term increases as the particles get closer. This results in a potential energy curve that has a minimum at a certain distance, representing the equilibrium distance between the particles.

What is the equation of motion for the Lennard-Jones potential?

The equation of motion for the Lennard-Jones potential is derived from Newton's second law of motion, where the net force on the particles is equal to the mass of the particle times its acceleration. This equation takes into account the forces of attraction and repulsion between the two particles and can be solved to determine the motion of the particles over time.

How is the Lennard-Jones potential used in scientific research?

The Lennard-Jones potential is commonly used in molecular simulations to study the behavior of particles in a system. It allows scientists to understand the structure and dynamics of molecules and how they interact with each other. It is also used in fields such as chemistry, physics, and materials science to model and predict the behavior of atoms and molecules.

Are there any limitations to the Lennard-Jones potential?

While the Lennard-Jones potential is a useful model for studying intermolecular interactions, it does have some limitations. It assumes spherical particles and does not take into account more complex interactions such as hydrogen bonding. Additionally, it is a purely classical model and does not account for quantum effects. Therefore, it may not accurately represent all systems and should be used with caution.

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