Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics (Articolo in rivista)

Type

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

Label

• Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics (Articolo in rivista) (literal)

Anno

• 2008-01-01T00:00:00+01:00 (literal)

Alternative label

• Palla, PL; Pierleoni, C; Ciccotti, G (2008)
  Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics
  
  (literal)

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

• Palla, PL; Pierleoni, C; Ciccotti, G (literal)

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

• 78 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• \"[Palla, Pier Luca] Univ Cagliari, Dept Phys, I-09042 Monserrato, Ca, Italy; [Palla, Pier Luca] Univ Cagliari, SLACS, INFM, CNR, I-09042 Monserrato, Ca, Italy; [Pierleoni, Carlo] Univ Aquila, CNISM, I-67100 Laquila, Italy; [Pierleoni, Carlo] Univ Aquila, Dipartimento Fis, I-67100 Laquila, Italy; [Ciccotti, Giovanni] Univ Roma La Sapienza, Dipartimento Fis, Ctr Interdisciplinare Linceo B Segre, Accademia Lincei, I-00185 Rome, Italy; [Ciccotti, Giovanni] Univ Roma La Sapienza, CNISM, Ctr Interdisciplinare Linceo B Segre, Accademia Lincei, I-00185 Rome, Italy (literal)

Titolo

• Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics (literal)

Abstract

• Nonequilibrium molecular dynamics (NEMD) calculations of the bulk viscosity of the triple point Lennard-Jones fluid are performed with the aim of investigating the origin of the observed disagreement between Green-Kubo estimates and previous NEMD data. We show that a careful application of the Doll's perturbation field, the dynamical NEMD method, the instantaneous form of the perturbation and the 'subtraction technique' provides a NEMD estimate of the bulk viscosity at zero field in full agreement with the value obtained by the Green-Kubo formula. As previously reported for the shear viscosity, we find that the bulk viscosity exhibits a large linear regime with the field intensity. (literal)

Prodotto di

• Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.001) (Modulo)

Autore CNR

• Pieluca Palla (Unità di personale esterno)
• GIOVANNI CICCOTTI (Unità di personale esterno)
• CARLO PIERLEONI (Persona)

Insieme di parole chiave

• Keywords of "Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• Pieluca Palla (Unità di personale esterno)
• GIOVANNI CICCOTTI (Unità di personale esterno)
• CARLO PIERLEONI (Persona)

Prodotto

• Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.001) (Modulo)

Insieme di parole chiave di

• Keywords of "Bulk viscosity of the Lennard-Jones system at the triple point by dynamical nonequilibrium molecular dynamics" (Insieme di parole chiave)