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potentials:main

Potentials generated with potfit


This page contains a non-conclusive list of potentials created with potfit.

A detailed description and the potentials in potfit-format are available on the pages listed below:

Ba-Ge / Ba-Si

ADP potentials for dynamic properties of [[potentials:bage|Ba-Ge]] and [[potentials:basi|Ba-Si]] clathrate systems

Al-Pd-Mn

EAM potential for the $\xi$ phases of [[potentials:alpdmn|Al-Pd-Mn]]

Al-Ni-Co

Potentials for basic Ni-rich [[potentials:alnico|d-AlNiCo]] quasicrystal and approximants

Al$_2$-O$_3$

Pair potential with electrostatic contributions (both coulombic and dipolar) for crystalline $\alpha$-alumina (Al$_2$O$_3$)

Ca-Cd

Potential to model low-temperature structures of the [[potentials:cacd|CaCd$_{5.6}$]] quasicrystal and related approximants.

Mg-O

Pair potential with electrostatic contributions (both coulombic and dipolar) for liquid magnesia (MgO)

Mg-Zn

Potential to simulate vibrational properties of the [[potentials:mgzn|MgZn$_2$]] Laves phase and related phases at ambient temperature.

Si-O$_2$

Pair potential with electrostatic contributions (both coulombic and dipolar) for liquid silica (SiO$_2$)

potentials/main.txt ยท Last modified: 2020/09/28 17:23 by daniel