A short-range metastable defect in the double layer ice

[2009.04879] A short-range metastable defect in the double layer ice Skip to main content Search Submit Donate Log in Search arXiv Press Enter to search · Advanced search Condensed Matter > Materials Science arXiv:2009.04879 (cond-mat) [Submitted on 10 Sep 2020] Title: A short-range metastable defect in the double layer ice Authors: Zhiyuan Zhang , Yu Zhu , Le Jin , Xinrui Yang , Yanchao Wang , Chang Q. Sun , Zhigang Wang View a PDF of the paper titled A short-range metastable defect in the double layer ice, by Zhiyuan Zhang and 5 other authors View PDF Abstract: Although the phase of water has extensively investigated whether there exists a defect distorting only locally the structure still under debate. Here we report a localized 5775 defect phase presented in the double layer ice on the Au (111) surface, which is a metastable structure with 5- and 7-membered rings compared with a perfect hexagonal one. Without altering the total number of the hydrogen bonds of the ice, the defect only introduces 0.08 Å molecular displacement and 3.27% interaction energy change outside the defected area. Such defect also exists without Au support but causes a larger lattice relaxation or smaller interaction energy change. The excessively high barrier as well as the low quantum tunneling and thermodynamic probabilities hinder the formation of the defect by post-grown isomerization from the perfect to the defected structure. This finding indicates that the defected ice is stable, and the defect can be formed during the ice growth stage. Comments: 12 pages, 2 figures Subjects: Materials Science (cond-mat.mtrl-sci) ; Soft Condensed Matter (cond-mat.soft); Atomic and Molecular Clusters (physics.atm-clus); Computational Physics (physics.comp-ph) Cite as: arXiv:2009.04879 [cond-mat.mtrl-sci] (or arXiv:2009.04879v1 [cond-mat.mtrl-sci] for this version) https://doi.org/10.48550/arXiv.2009.04879 Focus to learn more arXiv-issued DOI via DataCite Journal reference: Journal of Molecular Liquids, 2021, 336, 116356 Related DOI : https://doi.org/10.1016/j.molliq.2021.116356 Focus to learn more DOI(s) linking to related resources Submission history From: Zhigang Wang [ view email ] [v1] Thu, 10 Sep 2020 14:19:06 UTC (1,224 KB) Full-text links: Access Paper: View a PDF of the paper titled A short-range metastable defect in the double layer ice, by Zhiyuan Zhang and 5 other authors View PDF view license Current browse context: cond-mat.mtrl-sci < prev | next > new | recent | 2020-09 Change to browse by: cond-mat cond-mat.soft physics physics.atm-clus physics.comp-ph References & Citations NASA ADS Google Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer ( What is the Explorer? ) Connected Papers Toggle Connected Papers ( What is Connected Papers? ) Litmaps Toggle Litmaps ( What is Litmaps? ) scite.ai Toggle scite Smart Citations ( What are Smart Citations? ) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv ( What is alphaXiv? ) Links to Code Toggle CatalyzeX Code Finder for Papers ( What is CatalyzeX? ) DagsHub Toggle DagsHub ( What is DagsHub? ) GotitPub Toggle Gotit.pub ( What is GotitPub? ) Huggingface Toggle Hugging Face ( What is Huggingface? ) ScienceCast Toggle ScienceCast ( What is ScienceCast? ) Demos Demos Replicate Toggle Replicate ( What is Replicate? ) Spaces Toggle Hugging Face Spaces ( What is Spaces? ) Spaces Toggle TXYZ.AI ( What is TXYZ.AI? ) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower ( What are Influence Flowers? ) Core recommender toggle CORE Recommender ( What is CORE? ) IArxiv recommender toggle IArxiv Recommender ( What is IArxiv? ) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs . Which authors of this paper are endorsers? | Disable MathJax ( What is MathJax? ) We gratefully acknowledge support from our major funders , member institutions , , and all contributors. About · Help · Contact · Subscribe · Copyright · Privacy · Accessibility · Operational Status (opens in new tab) Major funding support from

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