Computational Dataset for: "Anti-Icing Properties of Polar Bear Fur"

Julian Carolan; Martin Jakubec; Neubi F. Xavier Jr.; Adam Pestana Motala; Ersilia Bifulco; Jon Aars; Magnus Andersen; Anne Lisbeth Schmidt; Marc Brunet Cabre; Vikaramjeet Singh; Paula E. Colavita; Espen Werdal Selfors; Marco Sacchi; Shane O'Reilly; Øyvind Halskau; Manish Tiwari; Richard G. Hobbs; Bodil Holst

doi:10.15126/surreydata.901468

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Computational Dataset for: "Anti-Icing Properties of Polar Bear Fur"

Julian Carolan, Martin Jakubec, Neubi F. Xavier Jr., Adam Pestana Motala, Ersilia Bifulco, Jon Aars, Magnus Andersen, Anne Lisbeth Schmidt, Marc Brunet Cabre, Vikaramjeet Singh, …

University of Surrey

15/01/2025

DOI:

https://doi.org/10.15126/surreydata.901468

Abstract

Anti-Icing

DFT

Polar bear

Ice adhesion

This dataset contains the computational results from the publication titled “Anti-Icing Properties of Polar Bear Fur”, published in Science Advances (DOI: will be added after the paper is published). Included in this dataset are the input (.cell and .param) files used to run geometry optimisation calculations using the CASTEP program, alongside the corresponding output (.castep) files.

Files and links (5)

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01_surf1.78 MBDownload View

DatasetIce surfacesCC BY V4.0, Open Access

zip

02_molecules7.06 MBDownload View

DatasetAdsorbate moleculesCC BY V4.0, Open Access

zip

03_ads39.87 MBDownload View

DatasetAdsorbate molecules on ice surfacesCC BY V4.0, Open Access

zip

04_adsorption_curve1.12 MBDownload View

DatasetEnergy as a function of triglyceride (TG) distance from the ice surfaceCC BY V4.0, Open Access

zip

05_unsaturation_checks96.07 MBDownload View

DatasetCC BY V4.0, Open Access

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Title: Computational Dataset for: "Anti-Icing Properties of Polar Bear Fur"
Creators: Julian Carolan (Data Curation) - Trinity College Dublin
Martin Jakubec (Data Curation) - University of Bergen
Neubi F. Xavier Jr. (Data Curation) - University of Surrey, School of Chemistry and Chemical Engineering
Adam Pestana Motala (Data Curation) - University of Surrey, School of Chemistry and Chemical Engineering
Ersilia Bifulco (Data Curation) - University of Bergen
Jon Aars (Data Curation) - The FRAM Centre
Magnus Andersen (Data Curation) - The FRAM Centre
Anne Lisbeth Schmidt (Data Curation) - National Museum of Denmark
Marc Brunet Cabre (Data Curation) - Trinity College Dublin
Vikaramjeet Singh (Data Curation) - University College London
Paula E. Colavita (Data Curation) - Trinity College Dublin
Espen Werdal Selfors (Data Curation) - University of Bergen
Marco Sacchi (Data Curation) - University of Surrey
Shane O'Reilly (Data Curation) - Atlantic Technological University
Øyvind Halskau (Data Curation) - University of Bergen
Manish Tiwari (Data Curation) - University College London
Richard G. Hobbs (Data Curation) - Trinity College Dublin
Bodil Holst (Data Curation) - University of Bergen
Publisher: University of Surrey
Publication Date: 15/01/2025
Identifiers: 99953664502346
Academic Unit: School of Chemistry and Chemical Engineering
Language: English
Resource Type: Dataset

Computational Dataset for: "Anti-Icing Properties of Polar Bear Fur"

Abstract

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