Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model (Articolo in rivista)

Type

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

Label

• Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model (Articolo in rivista) (literal)

Anno

• 2006-01-01T00:00:00+01:00 (literal)

Alternative label

• La Nave, E; Sastry, S; Sciortino, F (2006)
  Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model
  
  (literal)

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

• La Nave, E; Sastry, S; Sciortino, F (literal)

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

• 74 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• INFM, Dipartimento Fis, I-00185 Rome, Italy; INFM, CNR, I-00185 Rome, Italy; CRSSOFT, I-00185 Rome, Italy; Univ Roma La Sapienza, I-00185 Rome, Italy; Jawaharlal Nehru Ctr Adv Sci Res, Bangalore 500064, Karnataka, India (literal)

Titolo

• Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model (literal)

Abstract

• We analyze one thousand independent equilibrium trajectories of a system of 155 Lennard-Jones particles to separate in a model-free approach the role of temperature and the role of the explored potential energy landscape basin depth in the particle dynamics. We show that the diffusion coefficient D can be estimated as a sum over contributions of the sampled basins, establishing a connection between thermodynamics and dynamics in the potential energy landscape framework. We provide evidence that the observed nonlinearity in the relation between local diffusion and basin depth is responsible for the peculiar dynamic behavior observed in supercooled states and provide an interpretation for the presence of dynamic heterogeneities. (literal)

Prodotto di

• Materia soffice: Self Assembly, Clustering, Arresto Strutturale (MD.P02.015.001) (Modulo)

Autore CNR

• FRANCESCO SCIORTINO (Persona)
• EMILIA LA NAVE (Persona)

Insieme di parole chiave

• Keywords of "Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• EMILIA LA NAVE (Persona)
• FRANCESCO SCIORTINO (Persona)

Prodotto

• Materia soffice: Self Assembly, Clustering, Arresto Strutturale (MD.P02.015.001) (Modulo)

Insieme di parole chiave di

• Keywords of "Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model" (Insieme di parole chiave)