Molecular Rotations, Multiscale Order, Hyperuniformity, and Signatures of Metastability during the Compression/Decompression Cycles of Amorphous Ices.


Journal

The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530

Informations de publication

Date de publication:
04 May 2023
Historique:
medline: 12 4 2023
pubmed: 12 4 2023
entrez: 11 4 2023
Statut: ppublish

Résumé

We model, via large-scale molecular dynamics simulations, the isothermal compression of low-density amorphous ice (LDA) to generate high-density amorphous ice (HDA) and the corresponding decompression extending to negative pressures to recover the low-density amorphous phase (LDA

Identifiants

pubmed: 37039650
doi: 10.1021/acs.jpcb.3c00611
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

3946-3957

Auteurs

Maud Formanek (M)

IBM Research Europe, Hartree Centre, WA4 4AD Daresbury, United Kingdom.

Salvatore Torquato (S)

Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.
Department of Physics, Princeton University, Princeton, New Jersey 08544, United States.

Roberto Car (R)

Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.
Department of Physics, Princeton University, Princeton, New Jersey 08544, United States.

Fausto Martelli (F)

IBM Research Europe, Hartree Centre, WA4 4AD Daresbury, United Kingdom.
Department of Chemical Engineering, The University of Manchester, Oxford Road M13 9PL Manchester, United Kingdom.

Classifications MeSH