feos.dft.ExternalPotential.LJ93¶
- static ExternalPotential.LJ93(sigma_ss, epsilon_k_ss, rho_s)¶
9-3 Lennard-Jones potential
\[V_i^\mathrm{ext}(z)=\frac{2\pi}{45} m_i\varepsilon_{si}\sigma_{si}^3\rho_s\left(2\left(\frac{\sigma_{si}}{z}\right)^9-15\left(\frac{\sigma_{si}}{z}\right)^3\right),~~~~\varepsilon_{si}=\sqrt{\varepsilon_{ss}\varepsilon_{ii}},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right)\]- Parameters:
sigma_ss (float) – Segment diameter of the solid.
epsilon_k_ss (float) – Energy parameter of the solid.
rho_s (float) – Density of the solid.
- Return type: