softmatter:Weeks-Chandler-Andersen Potential
From NSDL Materials Digital Library Soft Matter Wiki
The Weeks-Chandler-Andersen potential (WCA) is a short range, purely repulsive interaction potential. It is meant to model excluded volume interaction and short range repulsion. The WCA potential is constructed by truncating The Lennard-Jones Potential at the 2(1 / 6)σ, corresponding to the minimum in the potential well, and shifting the entire potential by The Lennard-Jones Potential well depth, ε. The WCA potential can be expressed mathematically as:
![U_{WCA}(r) = \begin{cases}
4\varepsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^{6} \right] + \epsilon &r<2^{(1/6)}\sigma\\
0 & r \geq 2^{(1/6)}\sigma
\end{cases}](/matdlwiki/images/math/c/1/2/c127ad736c544f68f0faa82243963080.png)
This potential decays smoothly to zero at 2(1 / 6)σ.
