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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 custom-type="elpub" pub-id-type="custom">najo-1121</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="ru"><subject>Статьи</subject></subj-group></article-categories><title-group><article-title>Molecular-dynamic investigation of contact interaction of pure metals</article-title><trans-title-group xml:lang="ru"><trans-title>Молекулярно-динамическое исследование контактного взаимодействия чистых металлов</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>Никонов</surname><given-names>А. Ю.</given-names></name><name name-style="western" xml:lang="en"><surname>Nikonov</surname><given-names>A. Yu.</given-names></name></name-alternatives><bio xml:lang="en"><p>Tomsk</p></bio><email xlink:type="simple">nikonov@usgroups.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>Дмитриев</surname><given-names>А. И.</given-names></name><name name-style="western" xml:lang="en"><surname>Dmitriev</surname><given-names>A. I.</given-names></name></name-alternatives><bio xml:lang="en"><p>Tomsk</p></bio><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Псахье</surname><given-names>С. Г.</given-names></name><name name-style="western" xml:lang="en"><surname>Psakhie</surname><given-names>S. G.</given-names></name></name-alternatives><bio xml:lang="en"><p>Tomsk</p></bio><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff xml:lang="en" id="aff-1"><institution>Institute of Strength Physics and Materials Science SB RAS</institution><country>Russian Federation</country></aff><pub-date pub-type="collection"><year>2011</year></pub-date><pub-date pub-type="epub"><day>17</day><month>08</month><year>2025</year></pub-date><volume>2</volume><issue>2</issue><fpage>126</fpage><lpage>132</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Nikonov A.Y., Dmitriev A.I., Psakhie S.G., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Никонов А.Ю., Дмитриев А.И., Псахье С.Г.</copyright-holder><copyright-holder xml:lang="en">Nikonov A.Y., Dmitriev A.I., Psakhie S.G.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" 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/1121">https://nanojournal.ifmo.ru/jour/article/view/1121</self-uri><abstract><p>In using the method of molecular dynamics simulation of contact interaction between the copper crystallite and the various pure metals under shear loading was carried out. Shown that the structure of the boundary layer obtained during the shear deformation is determined by the loading conditions and materials of contact pair. In particular, in the interaction of copper with aluminum, soft aluminum material begins to be introduced into the lattice of copper, and in the interaction of copper with iron, this process is not observed. The effect of loading conditions and mode of heat transfer was studied. The research results can be useful for controlling strength properties of interfacial layer coated material, as well as to control the properties of the surface layer in contact problems.</p></abstract><trans-abstract xml:lang="ru"><p>.</p></trans-abstract><kwd-group xml:lang="en"><kwd>molecular dynamics</kwd><kwd>contact interaction of pure metals</kwd></kwd-group><funding-group><funding-statement xml:lang="en">The work was supported by fundamental research program of the Department of Energy, Engineering, Mechanics and Control Processes of RAS No. 13.13.3, and integration project of SB RAS No. 127.</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">Gorjacheva I.G. The mechanics of frictional interaction. — M.: Nauka, 2001. 478 p.</mixed-citation><mixed-citation xml:lang="en">Gorjacheva I.G. 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