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Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles

Parametrizing a curved surface with flat triangles in electrostatics problems creates a diverging electric field. One way to avoid this is to have curved areal elements. However, charge density integration over curved patches appears difficult. This paper, dealing with spherical triangles, is the fi...

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Autor principal: Yu, Yi-Kuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6314303/
https://www.ncbi.nlm.nih.gov/pubmed/29376832
http://dx.doi.org/10.1088/1361-648X/aaab2b
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author Yu, Yi-Kuo
author_facet Yu, Yi-Kuo
author_sort Yu, Yi-Kuo
collection PubMed
description Parametrizing a curved surface with flat triangles in electrostatics problems creates a diverging electric field. One way to avoid this is to have curved areal elements. However, charge density integration over curved patches appears difficult. This paper, dealing with spherical triangles, is the first in a series aiming to solve this problem. Here, we lay the ground work for employing curved patches for applying the surface charge method to electrostatics. We show analytically how one may control the accuracy by expanding in powers of the the arc length (multiplied by the curvature). To accommodate not extremely small curved areal elements, we have provided enough details to include higher order corrections that are needed for better accuracy when slightly larger surface elements are used.
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spelling pubmed-63143032019-01-02 Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles Yu, Yi-Kuo J Phys Condens Matter Article Parametrizing a curved surface with flat triangles in electrostatics problems creates a diverging electric field. One way to avoid this is to have curved areal elements. However, charge density integration over curved patches appears difficult. This paper, dealing with spherical triangles, is the first in a series aiming to solve this problem. Here, we lay the ground work for employing curved patches for applying the surface charge method to electrostatics. We show analytically how one may control the accuracy by expanding in powers of the the arc length (multiplied by the curvature). To accommodate not extremely small curved areal elements, we have provided enough details to include higher order corrections that are needed for better accuracy when slightly larger surface elements are used. 2018-03-14 /pmc/articles/PMC6314303/ /pubmed/29376832 http://dx.doi.org/10.1088/1361-648X/aaab2b Text en Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence (http://creativecommons.org/licenses/by/3.0) . Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
spellingShingle Article
Yu, Yi-Kuo
Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles
title Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles
title_full Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles
title_fullStr Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles
title_full_unstemmed Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles
title_short Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles
title_sort surface charge method for molecular surfaces with curved areal elements i. spherical triangles
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6314303/
https://www.ncbi.nlm.nih.gov/pubmed/29376832
http://dx.doi.org/10.1088/1361-648X/aaab2b
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