Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation (Articolo in rivista)

Type

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

Label

• Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

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

• 10.1038/ncomms4487 (literal)

Alternative label

• Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro (2014)
  Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation
  in Nature communications
  (literal)

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

• Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro (literal)

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

• 5 (literal)

Rivista

• Nature communications (Rivista)

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

• 6 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• International School for Advanced Studies; Democritos Simulat Ctr CNR; RIKEN; RIKEN; RIKEN (literal)

Titolo

• Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation (literal)

Abstract

• The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic properties. We find that the molecular liquid phase is unexpectedly stable, and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low-temperature atomization is, therefore, still far from experimental reach. (literal)

Prodotto di

• MD.P06.024.001 Fluidi quantistici e sistemi elettronici fortemente correlati alla nanoscala e in dispositivi (MD.P06.024.002) (Modulo)

Autore CNR

• SANDRO SORELLA (Unità di personale esterno)

Incoming links:

Autore CNR di

• SANDRO SORELLA (Unità di personale esterno)

Prodotto

• MD.P06.024.001 Fluidi quantistici e sistemi elettronici fortemente correlati alla nanoscala e in dispositivi (MD.P06.024.002) (Modulo)

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

• Nature communications (Rivista)