Lenard Jones Potential & wavenumber

In summary, the dispersion relation for a Lenard-Jones potential in a monatomic crystalline solid with lattice spacing a is omega = omega(k), where k is the wavenumber and is proportional to sin(ka/2). The group velocity is the derivative of the dispersion relation with respect to k. Typically, the wavenumber cannot take negative values, except for in certain cases such as with left-handed materials. Negative frequencies, which would result in negative wavenumbers, may also be discussed in Fourier analysis, but can usually be folded over and dealt with as frequencies greater or equal to zero.
  • #1
ian2012
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I was just wondering, given that you have the dispersion relation omega = omega(k) for a Lenard-Jones potential in say a monatomic crystalline solid of lattice spacing a, which is proportional to sin(ka/2) where k is the wavenumber. The group velocity is the derivative of the dispersion relation with respect to k.
My Question is: Can the wavenumber take negative values in general? (Would it be physically meaningful?). I am thinking it would be okay, as the group velocity would have the same values as if k>0.
 
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  • #2
Typically no, with a few exceptions. We generally deal with the wave number in terms of the wave vector. The wave vector can certainly be negative as it is indicative of the direction of the phase and group propagation. However, the negative sign is part of the directional vector and not of the wave number. The only time that you should have a negative wave number is with a left-handed material as the wave number is defined as

[tex]k = \omega\sqrt{\mu\epsilon}[/tex]

Still, there are times where we do talk about negative frequencies (which would give us negative k) when we are doing a Fourier analysis. These negative frequencies are generally just the complex conjugate of the positive frequency parts and so you can usually fold over the Fourier domain so that you deal only with frequencies greater or equal to zero.
 

FAQ: Lenard Jones Potential & wavenumber

1. What is the Lenard Jones Potential?

The Lenard Jones Potential is a mathematical model used to describe the attractive and repulsive forces between two neutral atoms or molecules. It is typically used to study the interactions of gases, liquids, and solids at the molecular level.

2. How is the Lenard Jones Potential calculated?

The Lenard Jones Potential is calculated using the following equation: V(r) = 4ε[(σ/r)^12 - (σ/r)^6], where V(r) is the potential energy at a given distance, r is the distance between the two atoms or molecules, ε is the depth of the potential well, and σ is the distance at which the potential energy is zero.

3. What is the significance of the wavenumber in the Lenard Jones Potential?

The wavenumber, also known as the wave vector, is a measure of the spatial frequency of a wave. In the context of the Lenard Jones Potential, it is used to describe the oscillations of the potential energy between two atoms or molecules. It is a useful parameter for studying the strength and nature of interactions between particles.

4. How is the wavenumber related to the force between two particles in the Lenard Jones Potential?

The force between two particles in the Lenard Jones Potential can be calculated by taking the derivative of the potential energy equation with respect to distance (r). The wavenumber can then be used to determine the strength of this force, as it is directly proportional to the curvature of the potential energy curve.

5. What are the units of the wavenumber in the Lenard Jones Potential?

The wavenumber in the Lenard Jones Potential is typically measured in reciprocal length units, such as inverse meters (m^-1) or inverse centimeters (cm^-1). These units are commonly used in quantum mechanics to describe the energy of a particle in terms of its wavelength or frequency.

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