potfit wiki - potentials

alnico

anonymous@undisclosed.example.com (Anonymous) — Wed, 10 Jan 2018 16:42:01 +0000

Potentials: AlNiCo ---------- Summary table Potential name Al-Ni-Co Format abulated Interaction eam Elements Al, Ni, Co Reference Fitted for Quasicrystal approximants Details Detailed description of the potential. What it has been fitted for, what reference configurations,

alo

anonymous@undisclosed.example.com (Anonymous) — Sun, 16 Sep 2018 22:25:46 +0000

Potentials: AlO ---------- Summary table Potential name Al2O3 Format analytic Interaction dipole Elements Al, O Reference Fitted for Crystalline $\alpha$-alumina Details This potential has been fitted for strained structures at zero Kelvin, structures with free surfaces at zero Kelvin and equilibrated snapshots of the ideal crystal between zero and 2000 Kelvin.

alpdmn

anonymous@undisclosed.example.com (Anonymous) — Mon, 17 Sep 2018 16:24:17 +0000

Potentials: AlMnPd ---------- Summary table Potential name Al-Mn-Pd Format analytic Interaction eam Elements Al, Mn, Pd Reference Fitted for Quasicrystal approximants Details This potential has been fitted for approximants of the decagonal quasicrystal Al-Mn-Pd. It was especially trained with the $\xi$$\xi'$

bage

anonymous@undisclosed.example.com (Anonymous) — Mon, 28 Sep 2020 15:14:51 +0000

Potentials: BaGe ---------- Summary table Potential name Ba-Ge Format analytic Interaction adp Elements Ba, Ge Reference Fitted for Thermal conductivity of type I clathrate systems Details These potentials have been fitted for simulations of dynamic properties of the Ge as well as the BaGe clathrate systems.

basi

anonymous@undisclosed.example.com (Anonymous) — Thu, 08 Oct 2020 15:48:50 +0000

Potentials: BaSi ---------- Summary table Potential name Ba-Si Format analytic Interaction adp Elements Ba, Si Reference Fitted for Thermal conductivity of type I clathrate systems Details These potentials have been fitted for simulations of dynamic properties of the Si as well as the BaSi clathrate systems.

cacd

anonymous@undisclosed.example.com (Anonymous) — Wed, 10 Jan 2018 16:42:21 +0000

Potentials: CaCd ---------- Summary table Potential name Ca-Cd Format tabulated Interaction eam Elements Ca, Cd Reference Fitted for Quasicrystal approximants Details Detailed description of the potential. What it has been fitted for, what reference configurations,

main

anonymous@undisclosed.example.com (Anonymous) — Mon, 28 Sep 2020 15:23:30 +0000

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 $\xi$$\alpha$

mgo

anonymous@undisclosed.example.com (Anonymous) — Wed, 19 Sep 2018 15:48:17 +0000

Potentials: MgO ---------- Summary table Potential name MgO Format analytic Interaction dipole Elements Mg, O Reference Fitted for Liquid magnesia Details This potential has been fitted for liquid magnesia structures at temperatures between 2000 and 5000 K and pressures between zero and 15 GPa.

mgzn

anonymous@undisclosed.example.com (Anonymous) — Tue, 26 Jan 2021 17:22:30 +0000

Potentials: MgZn ---------- Summary table Potential name Mg-Zn Format tabulated Interaction eam Elements Mg, Zn Reference Fitted for Details Potential to simulate vibrational properties of the MgZn2 Laves phase and related phases at ambient temperature.

sio

anonymous@undisclosed.example.com (Anonymous) — Sun, 16 Sep 2018 20:03:29 +0000

Potentials: SiO ---------- Summary table Potential name SiO2 Format analytic Interaction dipole Elements Si, O Reference Fitted for Liquid silica Details This potential has been fitted for liquid silica structures at temperatures between 2000 and 4000 K and pressures between zero and 15 GPa.