Resolving dynamic fragmentation of liquids at the nanoscale with ultrafast small‐angle X‐ray scattering
High‐brightness coherent ultrashort X‐ray free‐electron lasers (XFELs) are promising in resolving nanoscale structures at the highest temporal resolution (∼10 fs). The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scatteri...
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| Veröffentlicht in: | Journal of synchrotron radiation 2019-09, Vol.26 (5), p.1412-1421 |
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| creator | Chen, Sen Chai, Hai-Wei He, An-Min Tschentscher, Thomas Cai, Yang Luo, Sheng-Nian |
| description | High‐brightness coherent ultrashort X‐ray free‐electron lasers (XFELs) are promising in resolving nanoscale structures at the highest temporal resolution (∼10 fs). The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering (SAXS) on the basis of large‐scale molecular dynamics simulations. Fragmentation of liquid sheets under adiabatic expansion is investigated. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates. The particle sizes obtained from simulated SAXS are in excellent agreement with direct cluster analysis. Pulse‐width effects on SAXS measurements are examined. The results demonstrate the feasibility of resolving the nanoscale dynamics of fragmentation and similar processes with SAXS, and provide guidance for future XFEL experiments and data interpretation.
The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering on the basis of large‐scale molecular dynamics simulations. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates. |
| doi_str_mv | 10.1107/S160057751900732X |
| format | Article |
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The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering on the basis of large‐scale molecular dynamics simulations. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates.</description><identifier>ISSN: 1600-5775</identifier><identifier>ISSN: 0909-0495</identifier><identifier>EISSN: 1600-5775</identifier><identifier>DOI: 10.1107/S160057751900732X</identifier><identifier>PMID: 31490129</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Algorithms ; Bedding ; Cluster analysis ; Coherent scattering ; Feasibility ; Feasibility Studies ; Fragmentation ; Ionic Liquids - chemistry ; Lasers ; Liquid sheets ; Liquids ; Molecular dynamics ; Molecular Dynamics Simulation ; nanoscale fragmentation ; Particle Size ; Regularization ; Regularization methods ; Scattering, Small Angle ; Simulation ; Small angle X ray scattering ; Temporal resolution ; X-Rays ; XFELs</subject><ispartof>Journal of synchrotron radiation, 2019-09, Vol.26 (5), p.1412-1421</ispartof><rights>International Union of Crystallography, 2019</rights><rights>Copyright Wiley Subscription Services, Inc. Sep 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3792-93046c447e2d6268232d6a3af93cd4b5c91a1d9dec158140da55404f4b174d823</citedby><cites>FETCH-LOGICAL-c3792-93046c447e2d6268232d6a3af93cd4b5c91a1d9dec158140da55404f4b174d823</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1107%2FS160057751900732X$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1107%2FS160057751900732X$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,11541,27901,27902,45550,45551,46027,46451</link.rule.ids><linktorsrc>$$Uhttps://onlinelibrary.wiley.com/doi/abs/10.1107%2FS160057751900732X$$EView_record_in_Wiley-Blackwell$$FView_record_in_$$GWiley-Blackwell</linktorsrc><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/31490129$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Chen, Sen</creatorcontrib><creatorcontrib>Chai, Hai-Wei</creatorcontrib><creatorcontrib>He, An-Min</creatorcontrib><creatorcontrib>Tschentscher, Thomas</creatorcontrib><creatorcontrib>Cai, Yang</creatorcontrib><creatorcontrib>Luo, Sheng-Nian</creatorcontrib><title>Resolving dynamic fragmentation of liquids at the nanoscale with ultrafast small‐angle X‐ray scattering</title><title>Journal of synchrotron radiation</title><addtitle>J Synchrotron Radiat</addtitle><description>High‐brightness coherent ultrashort X‐ray free‐electron lasers (XFELs) are promising in resolving nanoscale structures at the highest temporal resolution (∼10 fs). The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering (SAXS) on the basis of large‐scale molecular dynamics simulations. Fragmentation of liquid sheets under adiabatic expansion is investigated. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates. The particle sizes obtained from simulated SAXS are in excellent agreement with direct cluster analysis. Pulse‐width effects on SAXS measurements are examined. The results demonstrate the feasibility of resolving the nanoscale dynamics of fragmentation and similar processes with SAXS, and provide guidance for future XFEL experiments and data interpretation.
The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering on the basis of large‐scale molecular dynamics simulations. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates.</description><subject>Algorithms</subject><subject>Bedding</subject><subject>Cluster analysis</subject><subject>Coherent scattering</subject><subject>Feasibility</subject><subject>Feasibility Studies</subject><subject>Fragmentation</subject><subject>Ionic Liquids - chemistry</subject><subject>Lasers</subject><subject>Liquid sheets</subject><subject>Liquids</subject><subject>Molecular dynamics</subject><subject>Molecular Dynamics Simulation</subject><subject>nanoscale fragmentation</subject><subject>Particle Size</subject><subject>Regularization</subject><subject>Regularization methods</subject><subject>Scattering, Small Angle</subject><subject>Simulation</subject><subject>Small angle X ray scattering</subject><subject>Temporal resolution</subject><subject>X-Rays</subject><subject>XFELs</subject><issn>1600-5775</issn><issn>0909-0495</issn><issn>1600-5775</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkc1uFDEMxyMEoh_wAFxQJC5cFuJ8TDZHtAIKqlSJglROI2-S2aZkMm2Sodobj8Az8iRktQUhOHCyZf_8t-U_IU-AvQBg-uU5dIwprRUYxrTgF_fI4a602NXu_5EfkKNSrhiDTnPxkBwIkIYBN4fkywdfpvg1pA1124RjsHTIuBl9qljDlOg00Bhu5uAKxUrrpacJ01QsRk9vQ72kc6wZByyVlhFj_PHtO6ZNa160LOOWNrRWn9uGR-TBgLH4x3fxmHx68_rj6mRxevb23erV6cIKbfjCCCY7K6X23HW8W3LRIgocjLBOrpU1gOCM8xbUEiRzqJRkcpBr0NI1_Jg83-te5-lm9qX2YyjWx4jJT3PpOV92RnRG6YY--wu9muac2nU7SgFwoVmjYE_ZPJWS_dBf5zBi3vbA-p0T_T9OtJmnd8rzevTu98Sv1zfA7IHbEP32_4r9-_PPfHWmgHPxEz5OldI</recordid><startdate>201909</startdate><enddate>201909</enddate><creator>Chen, Sen</creator><creator>Chai, Hai-Wei</creator><creator>He, An-Min</creator><creator>Tschentscher, Thomas</creator><creator>Cai, Yang</creator><creator>Luo, Sheng-Nian</creator><general>International Union of Crystallography</general><general>John Wiley & Sons, Inc</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>JQ2</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>201909</creationdate><title>Resolving dynamic fragmentation of liquids at the nanoscale with ultrafast small‐angle X‐ray scattering</title><author>Chen, Sen ; Chai, Hai-Wei ; He, An-Min ; Tschentscher, Thomas ; Cai, Yang ; Luo, Sheng-Nian</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3792-93046c447e2d6268232d6a3af93cd4b5c91a1d9dec158140da55404f4b174d823</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Algorithms</topic><topic>Bedding</topic><topic>Cluster analysis</topic><topic>Coherent scattering</topic><topic>Feasibility</topic><topic>Feasibility Studies</topic><topic>Fragmentation</topic><topic>Ionic Liquids - chemistry</topic><topic>Lasers</topic><topic>Liquid sheets</topic><topic>Liquids</topic><topic>Molecular dynamics</topic><topic>Molecular Dynamics Simulation</topic><topic>nanoscale fragmentation</topic><topic>Particle Size</topic><topic>Regularization</topic><topic>Regularization methods</topic><topic>Scattering, Small Angle</topic><topic>Simulation</topic><topic>Small angle X ray scattering</topic><topic>Temporal resolution</topic><topic>X-Rays</topic><topic>XFELs</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Chen, Sen</creatorcontrib><creatorcontrib>Chai, Hai-Wei</creatorcontrib><creatorcontrib>He, An-Min</creatorcontrib><creatorcontrib>Tschentscher, Thomas</creatorcontrib><creatorcontrib>Cai, Yang</creatorcontrib><creatorcontrib>Luo, Sheng-Nian</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of synchrotron radiation</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Chen, Sen</au><au>Chai, Hai-Wei</au><au>He, An-Min</au><au>Tschentscher, Thomas</au><au>Cai, Yang</au><au>Luo, Sheng-Nian</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Resolving dynamic fragmentation of liquids at the nanoscale with ultrafast small‐angle X‐ray scattering</atitle><jtitle>Journal of synchrotron radiation</jtitle><addtitle>J Synchrotron Radiat</addtitle><date>2019-09</date><risdate>2019</risdate><volume>26</volume><issue>5</issue><spage>1412</spage><epage>1421</epage><pages>1412-1421</pages><issn>1600-5775</issn><issn>0909-0495</issn><eissn>1600-5775</eissn><abstract>High‐brightness coherent ultrashort X‐ray free‐electron lasers (XFELs) are promising in resolving nanoscale structures at the highest temporal resolution (∼10 fs). The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering (SAXS) on the basis of large‐scale molecular dynamics simulations. Fragmentation of liquid sheets under adiabatic expansion is investigated. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates. The particle sizes obtained from simulated SAXS are in excellent agreement with direct cluster analysis. Pulse‐width effects on SAXS measurements are examined. The results demonstrate the feasibility of resolving the nanoscale dynamics of fragmentation and similar processes with SAXS, and provide guidance for future XFEL experiments and data interpretation.
The feasibility is explored of resolving ultrafast fragmentation of liquids at the nanoscale with single‐shot small‐angle X‐ray scattering on the basis of large‐scale molecular dynamics simulations. From the simulated SAXS patterns, particle‐volume size distributions are obtained with the regularization method and average particle sizes with the weighted Guinier method, at different expansion rates.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><pmid>31490129</pmid><doi>10.1107/S160057751900732X</doi><tpages>9</tpages></addata></record> |
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| subjects | Algorithms Bedding Cluster analysis Coherent scattering Feasibility Feasibility Studies Fragmentation Ionic Liquids - chemistry Lasers Liquid sheets Liquids Molecular dynamics Molecular Dynamics Simulation nanoscale fragmentation Particle Size Regularization Regularization methods Scattering, Small Angle Simulation Small angle X ray scattering Temporal resolution X-Rays XFELs |
| title | Resolving dynamic fragmentation of liquids at the nanoscale with ultrafast small‐angle X‐ray scattering |
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