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| The '''square shoulder model''' is given by <ref>[http://dx.doi.org/10.1063/1.433373 J. M. Kincaid, G. Stell and E. Goldmark "Isostructural phase transitions due to core collapse. II. A three-dimensional model with a solid–solid critical point", Journal of Chemical Physics '''65''' pp. 2172-2179 (1976)]</ref> | | {{Stub-general}} |
| | The '''Square shoulder model''' is given by |
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| :<math> | | :<math> |
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| where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the height of the shoulder, <math>r</math> is the distance between site 1 and site 2 <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>, σ is the hard diameter | | where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>\epsilon</math> is the height of the shoulder, <math>r</math> is the distance between site 1 and site 2 <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>, σ is the hard diameter |
| and λ > 1. | | and λ > 1. |
| ==Direct correlation function==
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| The [[direct correlation function]] <ref>[http://dx.doi.org/10.1080/00268970903539592 I. Guillén-Escamilla, E. Schöll-Paschinger and R. Castañeda-Priego "A parametrisation of the direct correlation function for the square-shoulder fluid", Molecular Physics '''108''' pp. 141-150 (2010)]</ref>
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| ==Equation of State== | | ==Equation of State== |
| <ref>[http://dx.doi.org/10.1088/0953-8984/11/50/308 Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter '''11''' pp. 10143-10161 (1999)]</ref>.
| | :''Main article: [[Equations of state for the square shoulder model]] |
| ==Binary mixture==
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| <ref>[http://dx.doi.org/10.1063/1.4795837 Gayatri Das, Nicoletta Gnan, Francesco Sciortino, and Emanuela Zaccarelli "Unveiling the complex glassy dynamics of square shoulder systems: Simulations and theory", Journal of Chemical Physics '''138''' 134501 (2013)]</ref>
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| ==References== | | ==References== |
| <references/>
| | #[http://dx.doi.org/10.1088/0953-8984/9/1/001 A R Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)] |
| '''Related reading'''
| | #[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)] |
| *[http://dx.doi.org/10.1088/0953-8984/9/1/001 A. R. Denton and H Löwen "Isostructural solid - solid transitions in square-shoulder systems", Journal of Physics: Condensed Matter '''9''' pp. L1-L5 (1997)]
| | #[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)] |
| *[http://dx.doi.org/10.1088/0953-8984/9/2/006 Peter Bolhuis and Daan Frenkel "Isostructural solid - solid transitions in systems with a repulsive `shoulder' potential", Journal of Physics: Condensed Matter '''9''' pp. 381-387 (1997)]
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| *[http://dx.doi.org/10.1063/1.3006065 Gernot J. Pauschenwein and Gerhard Kahl "Zero temperature phase diagram of the square-shoulder system", Journal of Chemical Physics '''129''' 174107 (2008)]
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| *[http://dx.doi.org/10.1063/1.3265984 Shiqi Zhou and J. R. Solana "Inquiry into thermodynamic behavior of hard sphere plus repulsive barrier of finite height", Journal of Chemical Physics '''131''' 204503 (2009)]
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| *[http://dx.doi.org/10.1080/00268976.2011.562472 S. B. Yuste, A. Santos and M. López de Haro "Structure of the square-shoulder fluid", Molecular Physics '''109''' pp. 987-995 (2011)]
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| *[http://dx.doi.org/10.1063/1.4801659 S. P. Hlushak, P. A. Hlushak, and A. Trokhymchuk "An improved first-order mean spherical approximation theory for the square-shoulder fluid", Journal of Chemical Physics '''138''' 164107 (2013)]
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| *[http://dx.doi.org/10.1080/00268976.2016.1154199 M. López de Haro, S. B. Yuste and A. Santos "Theoretical approaches to the structural properties of the square-shoulder fluid", Molecular Physics '''114''' pp. 2382-2390 (2016)]
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| *[http://dx.doi.org/10.1063/1.4977934 Harini Pattabhiraman and Marjolein Dijkstra "Phase behaviour of quasicrystal forming systems of core-corona particles", Journal of Chemical Physics '''146''' 114901 (2017)]
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| [[Category: Models]] | | [[Category: Models]] |