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.
|Titolo:||Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation|
|Autori:||Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro|
|Data di pubblicazione:||2014|
|Numero di Articolo:||3487|
|Digital Object Identifier (DOI):||10.1038/ncomms4487|
|Fulltext via DOI:||10.1038/ncomms4487|
|Appare nelle tipologie:||1.1 Journal article|