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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">najo</journal-id><journal-title-group><journal-title xml:lang="en">Nanosystems: Physics, Chemistry, Mathematics</journal-title><trans-title-group xml:lang="ru"><trans-title>Наносистемы: физика, химия, математика</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2220-8054</issn><issn pub-type="epub">2305-7971</issn><publisher><publisher-name>Университет ИТМО</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.17586/2220-8054-2016-7-1-226-233</article-id><article-id custom-type="elpub" pub-id-type="custom">najo-986</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>PAPERS, PRESENTED AT THE CONFERENCE</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>PAPERS, PRESENTED AT THE CONFERENCE</subject></subj-group></article-categories><title-group><article-title>Diffraction-based characterization of amorphous sp2 carbon: sensitivity to domain-like packing of nanostructures</article-title><trans-title-group xml:lang="ru"><trans-title>Diffraction-based characterization of amorphous sp2 carbon: sensitivity to domain-like packing of nanostructures</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Neverov</surname><given-names>V. S.</given-names></name><name name-style="western" xml:lang="en"><surname>Neverov</surname><given-names>V. S.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Moscow</p></bio><bio xml:lang="en"><p>Moscow</p></bio><email xlink:type="simple">vs-never@hotmail.com</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Borisova</surname><given-names>P. A.</given-names></name><name name-style="western" xml:lang="en"><surname>Borisova</surname><given-names>P. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Moscow</p></bio><bio xml:lang="en"><p>Moscow</p></bio><email xlink:type="simple">borisova_pa@nrcki.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Kukushkin</surname><given-names>A. B.</given-names></name><name name-style="western" xml:lang="en"><surname>Kukushkin</surname><given-names>A. B.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Moscow</p></bio><bio xml:lang="en"><p>Moscow</p></bio><email xlink:type="simple">Kukushkin_ab@nrcki.ru</email><xref ref-type="aff" rid="aff-2"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Voloshinov</surname><given-names>V. V.</given-names></name><name name-style="western" xml:lang="en"><surname>Voloshinov</surname><given-names>V. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Moscow</p></bio><bio xml:lang="en"><p>Moscow</p></bio><email xlink:type="simple">vladimir.voloshinov@gmail.com</email><xref ref-type="aff" rid="aff-3"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru">National Research Center “Kurchatov Institute”<country>Россия</country></aff><aff xml:lang="en">National Research Center “Kurchatov Institute”<country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru">National Research Center “Kurchatov Institute”; National Research Nuclear University “MEPhI”<country>Россия</country></aff><aff xml:lang="en">National Research Center “Kurchatov Institute”; National Research Nuclear University “MEPhI”<country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-3"><aff xml:lang="ru">Institute for Information Transmission Problems (Kharkevich Institute), Russian Academy of Sciences<country>Россия</country></aff><aff xml:lang="en">Institute for Information Transmission Problems (Kharkevich Institute), Russian Academy of Sciences<country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2016</year></pub-date><pub-date pub-type="epub"><day>14</day><month>08</month><year>2025</year></pub-date><volume>7</volume><issue>1</issue><issue-title>Special Issue: Proceedings of the 12th Biennial International Conference “Advanced Carbon Nanostructures” (ACNS’2015)</issue-title><fpage>226</fpage><lpage>233</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Neverov V.S., Borisova P.A., Kukushkin A.B., Voloshinov V.V., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Neverov V.S., Borisova P.A., Kukushkin A.B., Voloshinov V.V.</copyright-holder><copyright-holder xml:lang="en">Neverov V.S., Borisova P.A., Kukushkin A.B., Voloshinov V.V.</copyright-holder><license license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://nanojournal.ifmo.ru/jour/article/view/986">https://nanojournal.ifmo.ru/jour/article/view/986</self-uri><abstract><p>We extend our method formerly suggested for structure refinement of the amorphous sp2 carbon, based on neutron or x-ray diffraction, and applied to amorphous fullerene and its derivatives produced by vacuum annealing. To diagnose heterogeneous media, the method uses the rigid body molecular dynamics simulations of the domain-like packing for a predefined set of structural blocks. Previously, the sensitivity of the results to the variability of mutual positions of these structural blocks was analyzed in two limiting cases: (A) any domain contains only identical structural blocks and (B) all domains are the identical mixtures of many different structural blocks with variable packing of the blocks. Here, we extend this analysis to intermediate cases which correspond to domains of the type “B” with the subdomains of the type “A”. Such a structuring corresponds to a partial destruction of the nanoscale structure of the sample (e.g. by low-temperature annealing).</p></abstract><trans-abstract xml:lang="ru"><p>We extend our method formerly suggested for structure refinement of the amorphous sp2 carbon, based on neutron or x-ray diffraction, and applied to amorphous fullerene and its derivatives produced by vacuum annealing. To diagnose heterogeneous media, the method uses the rigid body molecular dynamics simulations of the domain-like packing for a predefined set of structural blocks. Previously, the sensitivity of the results to the variability of mutual positions of these structural blocks was analyzed in two limiting cases: (A) any domain contains only identical structural blocks and (B) all domains are the identical mixtures of many different structural blocks with variable packing of the blocks. Here, we extend this analysis to intermediate cases which correspond to domains of the type “B” with the subdomains of the type “A”. Such a structuring corresponds to a partial destruction of the nanoscale structure of the sample (e.g. by low-temperature annealing).</p></trans-abstract><kwd-group xml:lang="ru"><kwd>neutron diffraction</kwd><kwd>computer simulation</kwd><kwd>C60 fullerenes</kwd><kwd>annealing</kwd><kwd>sp2 carbon structures</kwd></kwd-group><kwd-group xml:lang="en"><kwd>neutron diffraction</kwd><kwd>computer simulation</kwd><kwd>C60 fullerenes</kwd><kwd>annealing</kwd><kwd>sp2 carbon structures</kwd></kwd-group><funding-group xml:lang="en"><funding-statement>The authors are grateful to A.P. Afanasiev, for the support of collaboration between the NRC “Kurchatov Institute” and the Center for GRID-Technologies and Distributed Computing (http://dcs.isa.ru) of the Institute for Information Transmission Problems (Kharkevich Institute) of Russian Academy of Science, V.A. Somenkov, for the guidance in the experimental part of the work, O.V. Sukhoroslov, for technical support of MathCloud computing infrastructure, M.S. Blanter and Y.V. Zubavichus, for helpful discussion of results. This work is supported by the Russian Foundation for Basic Research (projects RFBR #13-07-00987-a, #13-02-00208-a and #15-07-07901-a). The experimental work was performed using the equipment of Unique Scientific Facility “Research reactor IR-8” supported by the Russian Ministry of Science and Education (project code RFMEFI61914X0002). The most of calculations were carried out using the computational resources of the Multipurpose Computational Complex of the NRC “Kurchatov Institute” (http://computing.kiae.ru/).</funding-statement></funding-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Borisova P.A., Agafonov S.S., Blanter M.S., Glazkov V.P., Somenkov V.A. 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