We made a series of molecular dynamic simulations to get a representative, high temperature GeO2 system to eventually be quenched down to room temperature so as to obtain an amorphous system to be studied under pressure for comparison to experimental results. We carefully generated an initial configuration such that all simulations have entirely been carried out by ab-initio methods in the range 10K-3000K.
b-Initio Molecular Dynamics Simulation of High Temperature GeO2
Mancini, Giorgio;Celino, Massimo;Di Cicco, Andrea
2015-01-01
Abstract
We made a series of molecular dynamic simulations to get a representative, high temperature GeO2 system to eventually be quenched down to room temperature so as to obtain an amorphous system to be studied under pressure for comparison to experimental results. We carefully generated an initial configuration such that all simulations have entirely been carried out by ab-initio methods in the range 10K-3000K.File in questo prodotto:
File | Dimensione | Formato | |
---|---|---|---|
V2015-cresco-2014.pdf
accesso aperto
Tipologia:
Versione Editoriale
Licenza:
DRM non definito
Dimensione
83.74 kB
Formato
Adobe PDF
|
83.74 kB | Adobe PDF | Visualizza/Apri |
Vol. 2015-CRESCO-2014 Contents.pdf
accesso aperto
Tipologia:
Altro materiale allegato
Licenza:
DRM non definito
Dimensione
295.77 kB
Formato
Adobe PDF
|
295.77 kB | Adobe PDF | Visualizza/Apri |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.