This chapter offers an overview of recent applications of the metadynamics method to the study of nucleation and related phenomena. In the first section, the classical nucleation theory and the metadynamics method are introduced. The second section is devoted to applications, including computational studies of the surface tension, which affects the size and energy of critical nuclei, and investigation of crystal nucleation from the amorphous and supercooled liquid state.
Metadynamics Simulations of Nucleation / Ronneberger, I; Mazzarello, R. - (2015).
Metadynamics Simulations of Nucleation
Mazzarello R
2015
Abstract
This chapter offers an overview of recent applications of the metadynamics method to the study of nucleation and related phenomena. In the first section, the classical nucleation theory and the metadynamics method are introduced. The second section is devoted to applications, including computational studies of the surface tension, which affects the size and energy of critical nuclei, and investigation of crystal nucleation from the amorphous and supercooled liquid state.File allegati a questo prodotto
| File | Dimensione | Formato | |
|---|---|---|---|
|
Ronneberger_Metadynamics Simulations of Nucleation_2015.pdf
solo gestori archivio
Tipologia:
Versione editoriale (versione pubblicata con il layout dell'editore)
Licenza:
Tutti i diritti riservati (All rights reserved)
Dimensione
1.31 MB
Formato
Adobe PDF
|
1.31 MB | Adobe PDF | Contatta l'autore |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
