potentials:main
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potentials:main [2018/01/10 17:41] – ↷ Links adapted because of a move operation daniel | potentials:main [2020/09/28 17:23] (current) – daniel | ||
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~~NOTOC~~ | ~~NOTOC~~ | ||
====== Potentials generated with potfit ====== | ====== Potentials generated with potfit ====== | ||
+ | ----- | ||
This page contains a non-conclusive list of potentials created with //potfit//. | This page contains a non-conclusive list of potentials created with //potfit//. | ||
A detailed description and the potentials in // | A detailed description and the potentials in // | ||
- | ----- | + | ==== Ba-Ge / Ba-Si ==== |
+ | ADP potentials for dynamic properties of [[potentials: | ||
==== Al-Pd-Mn ==== | ==== Al-Pd-Mn ==== | ||
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==== Al-Ni-Co | ==== Al-Ni-Co | ||
- | Potentials for basic Ni-rich [[:potentials_alnico|d-AlNiCo]] quasicrystal and approximants | + | Potentials for basic Ni-rich [[potentials:alnico|d-AlNiCo]] quasicrystal and approximants |
==== Al2-O3 | ==== Al2-O3 | ||
Pair potential with electrostatic contributions (both coulombic and dipolar) | Pair potential with electrostatic contributions (both coulombic and dipolar) | ||
- | for crystalline α-alumina ([[:potentials_alo|Al2O3]]) | + | for crystalline α-alumina ([[potentials:alo|Al2O3]]) |
==== Ca-Cd ==== | ==== Ca-Cd ==== | ||
- | Potential to model low-temperature structures of the [[:potentials_cacd|CaCd5.6]] quasicrystal | + | Potential to model low-temperature structures of the [[potentials:cacd|CaCd5.6]] quasicrystal |
and related approximants. | and related approximants. | ||
==== Mg-O ==== | ==== Mg-O ==== | ||
Pair potential with electrostatic contributions (both coulombic and dipolar) for | Pair potential with electrostatic contributions (both coulombic and dipolar) for | ||
- | liquid magnesia ([[:potentials_mgo|MgO]]) | + | liquid magnesia ([[potentials:mgo|MgO]]) |
==== Mg-Zn ==== | ==== Mg-Zn ==== | ||
- | Potential to simulate vibrational properties of the [[:potentials_mgzn|MgZn2]] Laves phase and | + | Potential to simulate vibrational properties of the [[potentials:mgzn|MgZn2]] Laves phase and |
related phases at ambient temperature. | related phases at ambient temperature. | ||
==== Si-O2 | ==== Si-O2 | ||
Pair potential with electrostatic contributions (both coulombic and dipolar) for liquid | Pair potential with electrostatic contributions (both coulombic and dipolar) for liquid | ||
- | silica ([[:potentials_sio|SiO2]]) | + | silica ([[potentials:sio|SiO2]]) |
potentials/main.1515602516.txt.gz · Last modified: 2018/01/10 17:41 by daniel