Multiscale simulation of the focused electron beam induced deposition process
Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack of molecular-level understanding of the underlying irradiat...
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| Veröffentlicht in: | Scientific reports 2020-11, Vol.10 (1), p.20827, Article 20827 |
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| description | Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack of molecular-level understanding of the underlying irradiation-driven chemistry (IDC). Computational modeling is a tool to comprehend and further optimize FEBID-related technologies. Here we utilize a novel multiscale methodology which couples Monte Carlo simulations for radiation transport with irradiation-driven molecular dynamics for simulating IDC with atomistic resolution. Through an in depth analysis of
W(CO)
6
deposition on
SiO
2
and its subsequent irradiation with electrons, we provide a comprehensive description of the FEBID process and its intrinsic operation. Our analysis reveals that simulations deliver unprecedented results in modeling the FEBID process, demonstrating an excellent agreement with available experimental data of the simulated nanomaterial composition, microstructure and growth rate as a function of the primary beam parameters. The generality of the methodology provides a powerful tool to study versatile problems where IDC and multiscale phenomena play an essential role. |
| doi_str_mv | 10.1038/s41598-020-77120-z |
| format | Article |
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W(CO)
6
deposition on
SiO
2
and its subsequent irradiation with electrons, we provide a comprehensive description of the FEBID process and its intrinsic operation. Our analysis reveals that simulations deliver unprecedented results in modeling the FEBID process, demonstrating an excellent agreement with available experimental data of the simulated nanomaterial composition, microstructure and growth rate as a function of the primary beam parameters. The generality of the methodology provides a powerful tool to study versatile problems where IDC and multiscale phenomena play an essential role.</description><identifier>ISSN: 2045-2322</identifier><identifier>EISSN: 2045-2322</identifier><identifier>DOI: 10.1038/s41598-020-77120-z</identifier><identifier>PMID: 33257728</identifier><language>eng</language><publisher>London: Nature Publishing Group UK</publisher><subject>639/301/1034/1035 ; 639/301/119 ; 639/638/298 ; 639/638/563/606 ; 639/638/563/981 ; 639/766/36 ; 639/925/930/1032 ; Chemical reactions ; Computer applications ; Energy ; Growth rate ; Humanities and Social Sciences ; Irradiation ; Monte Carlo simulation ; Morphology ; multidisciplinary ; Radiation ; Science ; Science (multidisciplinary) ; Silicon dioxide ; Simulation</subject><ispartof>Scientific reports, 2020-11, Vol.10 (1), p.20827, Article 20827</ispartof><rights>The Author(s) 2020</rights><rights>The Author(s) 2020. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c522t-7f9726316b15c7a8276c094eeeb79dfd9b0cccd6cf219774a461db637317eb3b3</citedby><cites>FETCH-LOGICAL-c522t-7f9726316b15c7a8276c094eeeb79dfd9b0cccd6cf219774a461db637317eb3b3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC7705715/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC7705715/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,864,885,27924,27925,41120,42189,51576,53791,53793</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/33257728$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>de Vera, Pablo</creatorcontrib><creatorcontrib>Azzolini, Martina</creatorcontrib><creatorcontrib>Sushko, Gennady</creatorcontrib><creatorcontrib>Abril, Isabel</creatorcontrib><creatorcontrib>Garcia-Molina, Rafael</creatorcontrib><creatorcontrib>Dapor, Maurizio</creatorcontrib><creatorcontrib>Solov’yov, Ilia A.</creatorcontrib><creatorcontrib>Solov’yov, Andrey V.</creatorcontrib><title>Multiscale simulation of the focused electron beam induced deposition process</title><title>Scientific reports</title><addtitle>Sci Rep</addtitle><addtitle>Sci Rep</addtitle><description>Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack of molecular-level understanding of the underlying irradiation-driven chemistry (IDC). Computational modeling is a tool to comprehend and further optimize FEBID-related technologies. Here we utilize a novel multiscale methodology which couples Monte Carlo simulations for radiation transport with irradiation-driven molecular dynamics for simulating IDC with atomistic resolution. Through an in depth analysis of
W(CO)
6
deposition on
SiO
2
and its subsequent irradiation with electrons, we provide a comprehensive description of the FEBID process and its intrinsic operation. Our analysis reveals that simulations deliver unprecedented results in modeling the FEBID process, demonstrating an excellent agreement with available experimental data of the simulated nanomaterial composition, microstructure and growth rate as a function of the primary beam parameters. The generality of the methodology provides a powerful tool to study versatile problems where IDC and multiscale phenomena play an essential role.</description><subject>639/301/1034/1035</subject><subject>639/301/119</subject><subject>639/638/298</subject><subject>639/638/563/606</subject><subject>639/638/563/981</subject><subject>639/766/36</subject><subject>639/925/930/1032</subject><subject>Chemical reactions</subject><subject>Computer applications</subject><subject>Energy</subject><subject>Growth rate</subject><subject>Humanities and Social Sciences</subject><subject>Irradiation</subject><subject>Monte Carlo simulation</subject><subject>Morphology</subject><subject>multidisciplinary</subject><subject>Radiation</subject><subject>Science</subject><subject>Science (multidisciplinary)</subject><subject>Silicon dioxide</subject><subject>Simulation</subject><issn>2045-2322</issn><issn>2045-2322</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>C6C</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><recordid>eNp9kctOwzAQRS0EAgT9ARYoEhs2Ab_iaTZIqOIltWIDa8txJiUoiYudIMHXY9pSHgu8sK2ZM9eeuYQcMXrGqBifB8myfJxSTlMAFvf3LbLPqcxSLjjf_nHfI6MQnmlcGc8ly3fJnhA8A-DjfTKbDU1fB2saTELdDo3pa9clrkr6J0wqZ4eAZYIN2t7HeIGmTequHGyMlrhwoV7yC-8shnBIdirTBBytzwPyeH31MLlNp_c3d5PLaWozzvsUqhy4EkwVLLNgxhyUpblExALysirzglprS2UrznIAaaRiZaEECAZYiEIckIuV7mIoWiwtdr03jV74ujX-TTtT69-Zrn7Sc_eqAWgGLIsCp2sB714GDL1u4xCwaUyHbgiaS6WokHFKET35gz67wXexvUiB4EAlU5HiK8p6F4LHavMZRvWnYXplmI6G6aVh-j0WHf9sY1PyZU8ExAoIMdXN0X-__Y_sB0f8oq0</recordid><startdate>20201130</startdate><enddate>20201130</enddate><creator>de Vera, Pablo</creator><creator>Azzolini, Martina</creator><creator>Sushko, Gennady</creator><creator>Abril, Isabel</creator><creator>Garcia-Molina, Rafael</creator><creator>Dapor, Maurizio</creator><creator>Solov’yov, Ilia A.</creator><creator>Solov’yov, Andrey V.</creator><general>Nature Publishing Group UK</general><general>Nature Publishing Group</general><scope>C6C</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7X7</scope><scope>7XB</scope><scope>88A</scope><scope>88E</scope><scope>88I</scope><scope>8FE</scope><scope>8FH</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BBNVY</scope><scope>BENPR</scope><scope>BHPHI</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>GNUQQ</scope><scope>HCIFZ</scope><scope>K9.</scope><scope>LK8</scope><scope>M0S</scope><scope>M1P</scope><scope>M2P</scope><scope>M7P</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>Q9U</scope><scope>7X8</scope><scope>5PM</scope></search><sort><creationdate>20201130</creationdate><title>Multiscale simulation of the focused electron beam induced deposition process</title><author>de Vera, Pablo ; Azzolini, Martina ; Sushko, Gennady ; Abril, Isabel ; Garcia-Molina, Rafael ; Dapor, Maurizio ; Solov’yov, Ilia A. ; Solov’yov, Andrey V.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c522t-7f9726316b15c7a8276c094eeeb79dfd9b0cccd6cf219774a461db637317eb3b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>639/301/1034/1035</topic><topic>639/301/119</topic><topic>639/638/298</topic><topic>639/638/563/606</topic><topic>639/638/563/981</topic><topic>639/766/36</topic><topic>639/925/930/1032</topic><topic>Chemical reactions</topic><topic>Computer applications</topic><topic>Energy</topic><topic>Growth rate</topic><topic>Humanities and Social Sciences</topic><topic>Irradiation</topic><topic>Monte Carlo simulation</topic><topic>Morphology</topic><topic>multidisciplinary</topic><topic>Radiation</topic><topic>Science</topic><topic>Science (multidisciplinary)</topic><topic>Silicon dioxide</topic><topic>Simulation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>de Vera, Pablo</creatorcontrib><creatorcontrib>Azzolini, Martina</creatorcontrib><creatorcontrib>Sushko, Gennady</creatorcontrib><creatorcontrib>Abril, Isabel</creatorcontrib><creatorcontrib>Garcia-Molina, Rafael</creatorcontrib><creatorcontrib>Dapor, Maurizio</creatorcontrib><creatorcontrib>Solov’yov, Ilia A.</creatorcontrib><creatorcontrib>Solov’yov, Andrey V.</creatorcontrib><collection>Springer Nature OA Free Journals</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Biology Database (Alumni Edition)</collection><collection>Medical Database (Alumni Edition)</collection><collection>Science Database (Alumni Edition)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Natural Science Collection</collection><collection>Hospital Premium Collection</collection><collection>Hospital Premium Collection (Alumni Edition)</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>Biological Science Collection</collection><collection>ProQuest Central</collection><collection>Natural Science Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>Health Research Premium Collection</collection><collection>Health Research Premium Collection (Alumni)</collection><collection>ProQuest Central Student</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><collection>ProQuest Biological Science Collection</collection><collection>Health & Medical Collection (Alumni Edition)</collection><collection>Medical Database</collection><collection>Science Database</collection><collection>Biological Science Database</collection><collection>Access via ProQuest (Open Access)</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central Basic</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Scientific reports</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>de Vera, Pablo</au><au>Azzolini, Martina</au><au>Sushko, Gennady</au><au>Abril, Isabel</au><au>Garcia-Molina, Rafael</au><au>Dapor, Maurizio</au><au>Solov’yov, Ilia A.</au><au>Solov’yov, Andrey V.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Multiscale simulation of the focused electron beam induced deposition process</atitle><jtitle>Scientific reports</jtitle><stitle>Sci Rep</stitle><addtitle>Sci Rep</addtitle><date>2020-11-30</date><risdate>2020</risdate><volume>10</volume><issue>1</issue><spage>20827</spage><pages>20827-</pages><artnum>20827</artnum><issn>2045-2322</issn><eissn>2045-2322</eissn><abstract>Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack of molecular-level understanding of the underlying irradiation-driven chemistry (IDC). Computational modeling is a tool to comprehend and further optimize FEBID-related technologies. Here we utilize a novel multiscale methodology which couples Monte Carlo simulations for radiation transport with irradiation-driven molecular dynamics for simulating IDC with atomistic resolution. Through an in depth analysis of
W(CO)
6
deposition on
SiO
2
and its subsequent irradiation with electrons, we provide a comprehensive description of the FEBID process and its intrinsic operation. Our analysis reveals that simulations deliver unprecedented results in modeling the FEBID process, demonstrating an excellent agreement with available experimental data of the simulated nanomaterial composition, microstructure and growth rate as a function of the primary beam parameters. The generality of the methodology provides a powerful tool to study versatile problems where IDC and multiscale phenomena play an essential role.</abstract><cop>London</cop><pub>Nature Publishing Group UK</pub><pmid>33257728</pmid><doi>10.1038/s41598-020-77120-z</doi><oa>free_for_read</oa></addata></record> |
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| subjects | 639/301/1034/1035 639/301/119 639/638/298 639/638/563/606 639/638/563/981 639/766/36 639/925/930/1032 Chemical reactions Computer applications Energy Growth rate Humanities and Social Sciences Irradiation Monte Carlo simulation Morphology multidisciplinary Radiation Science Science (multidisciplinary) Silicon dioxide Simulation |
| title | Multiscale simulation of the focused electron beam induced deposition process |
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