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Electrofreezing of Liquid Ammonia
[Image: see text] Here we prove that, in addition to temperature and pressure, another important thermodynamic variable permits the exploration of the phase diagram of ammonia: the electric field. By means of (path integral) ab initio molecular dynamics simulations, we predict that, upon applying in...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9619927/ https://www.ncbi.nlm.nih.gov/pubmed/36255376 http://dx.doi.org/10.1021/acs.jpclett.2c02576 |
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author | Cassone, Giuseppe Sponer, Jiri Sponer, Judit E. Saija, Franz |
author_facet | Cassone, Giuseppe Sponer, Jiri Sponer, Judit E. Saija, Franz |
author_sort | Cassone, Giuseppe |
collection | PubMed |
description | [Image: see text] Here we prove that, in addition to temperature and pressure, another important thermodynamic variable permits the exploration of the phase diagram of ammonia: the electric field. By means of (path integral) ab initio molecular dynamics simulations, we predict that, upon applying intense electric fields on ammonia, the electrofreezing phenomenon occurs, leading the liquid toward a novel ferroelectric solid phase. This study proves that electric fields can generally be exploited as the access key to otherwise-unreachable regions in phase diagrams, unveiling the existence of new condensed-phase structures. Furthermore, the reported findings have manifold practical implications, from the safe storage and transportation of ammonia to the understanding of the solid structures this compound forms in planetary contexts. |
format | Online Article Text |
id | pubmed-9619927 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-96199272022-11-01 Electrofreezing of Liquid Ammonia Cassone, Giuseppe Sponer, Jiri Sponer, Judit E. Saija, Franz J Phys Chem Lett [Image: see text] Here we prove that, in addition to temperature and pressure, another important thermodynamic variable permits the exploration of the phase diagram of ammonia: the electric field. By means of (path integral) ab initio molecular dynamics simulations, we predict that, upon applying intense electric fields on ammonia, the electrofreezing phenomenon occurs, leading the liquid toward a novel ferroelectric solid phase. This study proves that electric fields can generally be exploited as the access key to otherwise-unreachable regions in phase diagrams, unveiling the existence of new condensed-phase structures. Furthermore, the reported findings have manifold practical implications, from the safe storage and transportation of ammonia to the understanding of the solid structures this compound forms in planetary contexts. American Chemical Society 2022-10-18 2022-10-27 /pmc/articles/PMC9619927/ /pubmed/36255376 http://dx.doi.org/10.1021/acs.jpclett.2c02576 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Cassone, Giuseppe Sponer, Jiri Sponer, Judit E. Saija, Franz Electrofreezing of Liquid Ammonia |
title | Electrofreezing
of Liquid Ammonia |
title_full | Electrofreezing
of Liquid Ammonia |
title_fullStr | Electrofreezing
of Liquid Ammonia |
title_full_unstemmed | Electrofreezing
of Liquid Ammonia |
title_short | Electrofreezing
of Liquid Ammonia |
title_sort | electrofreezing
of liquid ammonia |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9619927/ https://www.ncbi.nlm.nih.gov/pubmed/36255376 http://dx.doi.org/10.1021/acs.jpclett.2c02576 |
work_keys_str_mv | AT cassonegiuseppe electrofreezingofliquidammonia AT sponerjiri electrofreezingofliquidammonia AT sponerjudite electrofreezingofliquidammonia AT saijafranz electrofreezingofliquidammonia |