Molecular Mechanics models molecules as configurations of particles interacting via classical potentials. The specific geometry of covalent bonding in carbon is described by the combination of an attractive-repulsive two-body interaction and a three-body bond-orientation part. We investigate the strict local minimality of specific carbon configurations under general assumptions on the interaction potentials. Carbyne, graphene, some fullerenes, and diamond are proved to be stable.
Stable carbon configurations
U Stefanelli
2017
Abstract
Molecular Mechanics models molecules as configurations of particles interacting via classical potentials. The specific geometry of covalent bonding in carbon is described by the combination of an attractive-repulsive two-body interaction and a three-body bond-orientation part. We investigate the strict local minimality of specific carbon configurations under general assumptions on the interaction potentials. Carbyne, graphene, some fullerenes, and diamond are proved to be stable.File in questo prodotto:
| File | Dimensione | Formato | |
|---|---|---|---|
|
prod_371372-doc_127131.pdf
solo utenti autorizzati
Descrizione: Stable carbon configurations
Tipologia:
Versione Editoriale (PDF)
Dimensione
570.9 kB
Formato
Adobe PDF
|
570.9 kB | Adobe PDF | Visualizza/Apri Richiedi una copia |
|
prod_371372-doc_152540.pdf
accesso aperto
Descrizione: Stable carbon configurations
Tipologia:
Versione Editoriale (PDF)
Dimensione
352.63 kB
Formato
Adobe PDF
|
352.63 kB | Adobe PDF | Visualizza/Apri |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
