A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates
We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the non-periodic direction by two parallel metallic plates. The method preserves the original boundary conditions,...
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| Veröffentlicht in: | The Journal of chemical physics 2016-09, Vol.145 (12), p.124118-124118 |
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| container_end_page | 124118 |
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| container_issue | 12 |
| container_start_page | 124118 |
| container_title | The Journal of chemical physics |
| container_volume | 145 |
| creator | Rostami, Samare Ghasemi, S. Alireza Nedaaee Oskoee, Ehsan |
| description | We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the non-periodic direction by two parallel metallic plates. The method preserves the original boundary conditions, leading to an exact solution of the problem. In addition, the scaling complexity is quasilinear
O
(
N
ln
(
N
)
)
, where N is the number of particles in the simulation box. Based on the superposition principle in electrostatics, the problem is split into two electrostatic problems where each can be calculated by the appropriate Poisson solver. The method is applied to NaCl ultra-thin films where its dielectric response with respect to an external bias voltage is investigated. Furthermore, the total charge induced on the metallic boundaries can be calculated to an arbitrary precision. |
| doi_str_mv | 10.1063/1.4963667 |
| format | Article |
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O
(
N
ln
(
N
)
)
, where N is the number of particles in the simulation box. Based on the superposition principle in electrostatics, the problem is split into two electrostatic problems where each can be calculated by the appropriate Poisson solver. The method is applied to NaCl ultra-thin films where its dielectric response with respect to an external bias voltage is investigated. Furthermore, the total charge induced on the metallic boundaries can be calculated to an arbitrary precision.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.4963667</identifier><identifier>PMID: 27782668</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Algorithms ; Boundary conditions ; Charged particles ; Computer simulation ; Electrostatics ; Mathematical analysis ; Physics ; Sodium chloride ; Superposition (mathematics) ; Thin films</subject><ispartof>The Journal of chemical physics, 2016-09, Vol.145 (12), p.124118-124118</ispartof><rights>Author(s)</rights><rights>2016 Author(s). Published by AIP Publishing.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c449t-f9dc74c3bcc86de08ee6b13be1b9f09f7d42b3e546920e99597bd330c3ea26f73</citedby><cites>FETCH-LOGICAL-c449t-f9dc74c3bcc86de08ee6b13be1b9f09f7d42b3e546920e99597bd330c3ea26f73</cites><orcidid>0000-0001-9573-7010</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/1.4963667$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,780,784,794,4510,27923,27924,76155</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/27782668$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Rostami, Samare</creatorcontrib><creatorcontrib>Ghasemi, S. Alireza</creatorcontrib><creatorcontrib>Nedaaee Oskoee, Ehsan</creatorcontrib><title>A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the non-periodic direction by two parallel metallic plates. The method preserves the original boundary conditions, leading to an exact solution of the problem. In addition, the scaling complexity is quasilinear
O
(
N
ln
(
N
)
)
, where N is the number of particles in the simulation box. Based on the superposition principle in electrostatics, the problem is split into two electrostatic problems where each can be calculated by the appropriate Poisson solver. The method is applied to NaCl ultra-thin films where its dielectric response with respect to an external bias voltage is investigated. Furthermore, the total charge induced on the metallic boundaries can be calculated to an arbitrary precision.</description><subject>Algorithms</subject><subject>Boundary conditions</subject><subject>Charged particles</subject><subject>Computer simulation</subject><subject>Electrostatics</subject><subject>Mathematical analysis</subject><subject>Physics</subject><subject>Sodium chloride</subject><subject>Superposition (mathematics)</subject><subject>Thin films</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp90U2LFDEQBuAgijuuHvwDEvDiCr3moyfpHJfFVWHBi55DOl2ZyZJO2iQtzNVfboYZFQQ9JVSevAlVCL2k5JoSwd_R614JLoR8hDaUDKqTQpHHaEMIo50SRFygZ6U8EEKoZP1TdMGkHJgQwwb9uMF7v9uHAzbWrtlUwCZOGJzz1kOs2IRdyr7uZ-xSxhDA1pxKNdVb7GOFbGz1KRacHLZ7k3cw4cXkdhygYJui87GVxsOxakKAgGeobdPuL6G9V56jJ86EAi_O6yX6evf-y-3H7v7zh0-3N_ed7XtVO6cmK3vLR2sHMQEZAMRI-Qh0VI4oJ6eejRy2vVCMgFJbJceJc2I5GCac5JfozSl3yenbCqXq2RcLIZgIaS2aDnwr5DDwodHXf9GHtObYfqcZZVRwyhVv6uqkbOtIyeD0kv1s8kFToo-D0VSfB9Psq3PiOs4w_Za_JtHA2xMo1h-7m-J_0_6Jv6f8B-plcvwnMXimiQ</recordid><startdate>20160928</startdate><enddate>20160928</enddate><creator>Rostami, Samare</creator><creator>Ghasemi, S. Alireza</creator><creator>Nedaaee Oskoee, Ehsan</creator><general>American Institute of Physics</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-9573-7010</orcidid></search><sort><creationdate>20160928</creationdate><title>A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates</title><author>Rostami, Samare ; Ghasemi, S. Alireza ; Nedaaee Oskoee, Ehsan</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c449t-f9dc74c3bcc86de08ee6b13be1b9f09f7d42b3e546920e99597bd330c3ea26f73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Algorithms</topic><topic>Boundary conditions</topic><topic>Charged particles</topic><topic>Computer simulation</topic><topic>Electrostatics</topic><topic>Mathematical analysis</topic><topic>Physics</topic><topic>Sodium chloride</topic><topic>Superposition (mathematics)</topic><topic>Thin films</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rostami, Samare</creatorcontrib><creatorcontrib>Ghasemi, S. Alireza</creatorcontrib><creatorcontrib>Nedaaee Oskoee, Ehsan</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rostami, Samare</au><au>Ghasemi, S. Alireza</au><au>Nedaaee Oskoee, Ehsan</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2016-09-28</date><risdate>2016</risdate><volume>145</volume><issue>12</issue><spage>124118</spage><epage>124118</epage><pages>124118-124118</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>We present an accurate and efficient algorithm to calculate the electrostatic interaction of charged point particles with partially periodic boundary conditions that are confined along the non-periodic direction by two parallel metallic plates. The method preserves the original boundary conditions, leading to an exact solution of the problem. In addition, the scaling complexity is quasilinear
O
(
N
ln
(
N
)
)
, where N is the number of particles in the simulation box. Based on the superposition principle in electrostatics, the problem is split into two electrostatic problems where each can be calculated by the appropriate Poisson solver. The method is applied to NaCl ultra-thin films where its dielectric response with respect to an external bias voltage is investigated. Furthermore, the total charge induced on the metallic boundaries can be calculated to an arbitrary precision.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>27782668</pmid><doi>10.1063/1.4963667</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0001-9573-7010</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0021-9606 |
| ispartof | The Journal of chemical physics, 2016-09, Vol.145 (12), p.124118-124118 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_1835678838 |
| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Algorithms Boundary conditions Charged particles Computer simulation Electrostatics Mathematical analysis Physics Sodium chloride Superposition (mathematics) Thin films |
| title | A highly accurate and efficient algorithm for electrostatic interactions of charged particles confined by parallel metallic plates |
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