Modulated patchy Lennard-Jones model: Difference between revisions
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Carl McBride (talk | contribs) (New page: The '''modulated patchy Lennard-Jones model''' is given by <ref>[http://dx.doi.org/10.1039/b614955c Jonathan P. K. Doye, Ard A. Louis, I-Chun Lin, Lucy R. Allen, Eva G. Noya, Alex W. Wilbe...) |
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The '''modulated patchy Lennard-Jones model''' is given by | The '''modulated patchy Lennard-Jones model''' is given by | ||
<ref>[http://dx.doi.org/10.1039/b614955c 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)]</ref> | <ref>[http://dx.doi.org/10.1039/b614955c 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)]</ref> (Eqs. 4.3 and 4.4) | ||
:<math> | :<math>\Phi_{\mathrm {patchy}}({\mathbf r}_{ij},{\mathbf \Omega}_i,{\mathbf \Omega}_j) = | ||
\left\{ \begin{array}{lll} | \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}} | & ; & r_{ij} \ge \sigma_{\mathrm{LJ}} | ||
| Line 13: | Line 13: | ||
</math> | </math> | ||
where <math> | where <math>\Phi_{\mathrm {LJ}}(r_{ij})</math> is the [[Lennard-Jones model | Lennard-Jones potential]] and | ||
[[Image:patchy_model.png|center]] | [[Image:patchy_model.png|center]] | ||
==References== | ==References== | ||
<references/> | <references/> | ||
;Related reading | |||
*[http://dx.doi.org/10.1063/1.4722477 Emanuela Bianchi, Günther Doppelbauer, Laura Filion, Marjolein Dijkstra, and Gerhard Kahl "Predicting patchy particle crystals: Variable box shape simulations and evolutionary algorithms", Journal of Chemical Physics '''136''' 214102 (2012)] | |||
[[category: models]] | [[category: models]] | ||
Latest revision as of 14:58, 7 June 2012
The modulated patchy Lennard-Jones model is given by [1] (Eqs. 4.3 and 4.4)
where is the Lennard-Jones potential and
References[edit]
- Related reading