Study of the B1-B2 transition in colloidal clusters (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Study of the B1-B2 transition in colloidal clusters (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1063/1.4861049 (literal)

Alternative label

• Bochicchio, D.; Videcoq, A.; Ferrando, R. (2014)
  Study of the B1-B2 transition in colloidal clusters
  in The Journal of chemical physics; American Institute of Physics, New York, N.Y. (Stati Uniti d'America)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Bochicchio, D.; Videcoq, A.; Ferrando, R. (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 140 (literal)

Rivista

• ?The ?Journal of chemical physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 7 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 2 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Dipartimento Fis; CNR IMEM; Centre National de la Recherche Scientifique (CNRS) (literal)

Titolo

• Study of the B1-B2 transition in colloidal clusters (literal)

Abstract

• The possible mechanisms for the B1 (NaCl-type) to B2 (CsCl-type) transition in crystalline colloidal clusters of equally sized particles are studied by means of two computational techniques: metadynamics and nudged elastic band calculations. The system is modelled by a screened Coulomb potential. Different interaction ranges are considered. The transition from a perfect NaCl cubic cluster to a full CsCl cluster is forced by metadynamics, revealing a transition path with intermediate metastable configurations in which planes are shifted one by one. The presence of metastable configurations in the transition path, corresponding to a certain number of NaCl planes turned into CsCl, has clear analogies with the known Hyde and O'Keeffe mechanism for ionic crystals, with some important differences due to finite-size effects. These comprise the fact that the transition starts by shifting a surface plane by means of a row-by-row mechanism that has no analog in bulk crystals. The energy barriers between the local minima in the transition path are calculated, showing that the barriers strongly depend on the screening length, in such a way that the B1 metastable phase can have very long lifetimes when the interaction is sufficiently long-ranged. (C) 2014 AIP Publishing LLC. (literal)

Editore

• American Institute of Physics (Editore)

Prodotto di

• Istituto dei materiali per l'elettronica ed il magnetismo (IMEM) (Istituto)
• Proprietà delle superfici e dei cluster di materiali nanostrutturati (MD.P06.002.001) (Modulo)

Autore CNR

• RICCARDO FERRANDO (Unità di personale esterno)

Incoming links:

Prodotto

• Istituto dei materiali per l'elettronica ed il magnetismo (IMEM) (Istituto)
• Proprietà delle superfici e dei cluster di materiali nanostrutturati (MD.P06.002.001) (Modulo)

Autore CNR di

• RICCARDO FERRANDO (Unità di personale esterno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?Journal of chemical physics (Rivista)

Editore di

• American Institute of Physics (Editore)