Continuous shouldered well model

The continuous shouldered well model is given by ( Eq. 1):

$\Phi _{12}(r)={\frac {U_{R}}{1+\exp[\Delta (r-R_{R})/a]}}-U_{A}\exp \left[-{\frac {(r-R_{A})^{2}}{2\delta _{A}^{2}}}\right]+\left({\frac {a}{r}}\right)^{24}$

where $\Phi _{12}$ is the intermolecular pair potential, $U_{R}$ is the energy of the repulsive shoulder, $U_{A}$ is the energy of the attractive well, $a$ is the diameter of the particles, and $r:=|\mathbf {r} _{1}-\mathbf {r} _{2}|$.

References

Related reading

• Alan Barros de Oliveira, Giancarlo Franzese, Paulo A. Netz, and Marcia C. Barbosa "Waterlike hierarchy of anomalies in a continuous spherical shouldered potential", Journal ofChemical Physics 128 064901 (2008)
• Pol Vilaseca and Giancarlo Franzese "Softness dependence of the anomalies for the continuous shouldered well potential", Journal of Chemical Physics 133 084507 (2010)