Modulated patchy Lennard-Jones model

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The modulated patchy Lennard-Jones model is given by [1] (Eqs. 4.3 and 4.4)

\[\Phi_{\mathrm {patchy}}({\mathbf r}_{ij},{\mathbf \Omega}_i,{\mathbf \Omega}_j) = \left\{ \begin{array}{lll} \Phi_{\mathrm {LJ}}(r_{ij}) & ; & r_{ij} < \sigma_{\mathrm {LJ}} \\ \Phi_{\mathrm{LJ}}(r_{ij}) \exp \left(-\frac{\theta_{k_{min},ij}^2}{2\sigma^2 } \right) \exp \left(-\frac{\theta_{l_{min},ji}^2}{2\sigma^2 } \right) & ; & r_{ij} \ge \sigma_{\mathrm{LJ}} \end{array} \right. \]

where \(\Phi_{\mathrm {LJ}}(r_{ij})\) is the Lennard-Jones potential and

Patchy model.png

[edit] References

  1. Jonathan P. K. Doye, Ard A. Louis, I-Chun Lin, Lucy R. Allen, Eva G. Noya, Alex W. Wilber, Hoong Chwan Kok and Rosie Lyus "Controlling crystallization and its absence: proteins, colloids and patchy models", Physical Chemistry Chemical Physics 9 pp. 2197-2205 (2007)
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