[ADF列表]通过RDF结构的稳定性

Pascal Brault. pascal.brault在univ-orleans.fr.
Sun 5月31日20:22:22 Cest 2020

Hi
This RDF looks like a liquid stae.
Best
Pascal

Pascal Brault
DR CNRS
GREMI UMR7344
CNRS-Université d’Orléans

Le 31 mai 2020 à 14:39, Hajra Kanwal . <16341510-015 at uog.edu.pk> a écrit :


Dear SCM users,
if we are studying structural stability of 2D materials through radial distribution peaks by varying temperature so we come to knoe=w that at which temperature (maximum) this structure would be stable, when RDF peaks will completely diminishes and we get almost a straight line? for example i am sending the aluminene structure at 3000k but at which temperature we should stop doing further calculations or stop increasing temperature? because the structure I attached below at 3000k is not much different from the structure at 2000k or 1500k.

regards
hajra


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<aluminene 3000k.PNG>
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