Continuous shouldered well model

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

${\mathrm{\Phi }}_{12}(r)=\frac{U_R}{1+\exp [\mathrm{\Delta }(r-R_R)/a]}-U_A\exp [-\frac{(r-R_A{)}^2}{2\underset{A}{\overset{2}{\delta }}}]+{(\frac{a}{r})}^{24}$

where ${\mathrm{\Phi }}_{12}$ 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)