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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="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">blackmet</journal-id><journal-title-group><journal-title xml:lang="ru">Известия высших учебных заведений. Черная Металлургия</journal-title><trans-title-group xml:lang="en"><trans-title>Izvestiya. Ferrous Metallurgy</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">0368-0797</issn><issn pub-type="epub">2410-2091</issn><publisher><publisher-name>National University of Science and Technology "MISIS"</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.17073/0368-0797-2026-4-403-411</article-id><article-id custom-type="elpub" pub-id-type="custom">blackmet-3129</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>МАТЕРИАЛОВЕДЕНИЕ</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>MATERIAL SCIENCE</subject></subj-group></article-categories><title-group><article-title>Молекулярно-динамическое моделирование деформации наночастиц аустенита с нанокристаллической структурой</article-title><trans-title-group xml:lang="en"><trans-title>Molecular dynamics simulation of deformation of austenite nanoparticles with a nanocrystalline structure</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0001-5748-813X</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Зоря</surname><given-names>И. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Zorya</surname><given-names>I. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Ирина Васильевна Зоря, д.ф.-м.н., доцент, директор архитектурно-строительного института</p><p>Россия, 654007, Кемеровская обл. – Кузбасс, Новокузнецк, ул. Кирова, 42</p></bio><bio xml:lang="en"><p>Irina V. Zorya, Dr. Sci. (Phys.-Math.), Assist. Prof., Director of the Institute of Architecture and Civil Engineering</p><p>42 Kirova Str., Novokuznetsk, Kemerovo Region – Kuzbass 654007, Russian Federation</p></bio><email xlink:type="simple">zorya.i@mail.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-5252-2455</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Полетаев</surname><given-names>Г. М.</given-names></name><name name-style="western" xml:lang="en"><surname>Poletaev</surname><given-names>G. M.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Геннадий Михайлович Полетаев, д.ф.-м.н., профессор, ведущий научный сотрудник</p><p>Россия, 656038, Алтайский край, Барнаул, пр. Ленина, 46</p></bio><bio xml:lang="en"><p>Gennadii M. Poletaev, Dr. Sci. (Phys.-Math.), Prof., Leading Researcher</p><p>46 Lenina Ave., Barnaul, Altai Territory 656038, Russian Federation</p></bio><email xlink:type="simple">gmpoletaev@mail.ru</email><xref ref-type="aff" rid="aff-2"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-6341-2761</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Ракитин</surname><given-names>Р. Ю.</given-names></name><name name-style="western" xml:lang="en"><surname>Rakitin</surname><given-names>R. Yu.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Ракитин Роман Юрьевич, к.ф.-м.н., доцент, проректор по цифровому развитию</p><p>Россия, 656038, Алтайский край, Барнаул, пр. Комсомольский, 100</p></bio><bio xml:lang="en"><p>Roman Yu. Rakitin, Cand.. Sci. (Phys.-Math.), Assist. Prof., Vice-Rector for Digital Development</p><p>100 Komsomolskii Ave., Barnaul, Altai Territory 656038, Russian Federation</p></bio><email xlink:type="simple">movehell@gmail.com</email><xref ref-type="aff" rid="aff-3"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-8366-4819</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Бебихов</surname><given-names>Ю. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Bebikhov</surname><given-names>Yu. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Юрий Владимирович Бебихов, д.ф.-м.н., доцент, заведующий кафедрой электроэнергетики и автоматизации промышленного производства</p><p>Россия, 678170, Рес­публика Саха (Якутия), Мирный, ул. Тихонова, 5</p></bio><bio xml:lang="en"><p>Yurii V. Bebikhov, Dr. Sci. (Phys.-Math.), Assist. Prof., Head of the Chair of Electric Power Engineering and Industrial Automation</p><p>5 Tikhonova Str., Mirny, Republic of Sakha (Yakutia) 678170, Russian Federation</p></bio><email xlink:type="simple">bebikhov.yura@mail.ru</email><xref ref-type="aff" rid="aff-4"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0001-9940-3915</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Семенов</surname><given-names>А. С.</given-names></name><name name-style="western" xml:lang="en"><surname>Semenov</surname><given-names>A. S.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Александр Сергеевич Семенов, д.ф.-м.н., директор</p><p>Россия, 678170, Рес­публика Саха (Якутия), Мирный, ул. Тихонова, 5</p></bio><bio xml:lang="en"><p>Aleksandr S. Semenov, Dr. Sci. (Phys.-Math.), Director</p><p>5 Tikhonova Str., Mirny, Republic of Sakha (Yakutia) 678170, Russian Federation</p></bio><email xlink:type="simple">as.semenov@s-vfu.ru</email><xref ref-type="aff" rid="aff-4"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Сибирский государственный индустриальный университет</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Siberian State Industrial University</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru"><institution>Алтайский государственный технический университет им. И.И. Ползунова</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Polzunov Altai State Technical University</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-3"><aff xml:lang="ru"><institution>Алтайский государственный университет</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Altai State University</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-4"><aff xml:lang="ru"><institution>Политехнический институт Северо-Восточного федерального университета им. М.К. Аммосова</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Mirny Polytechnic Institute (branch) of Ammosov North-Eastern Federal University</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2026</year></pub-date><pub-date pub-type="epub"><day>27</day><month>08</month><year>2026</year></pub-date><volume>69</volume><issue>4</issue><fpage>403</fpage><lpage>411</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Зоря И.В., Полетаев Г.М., Ракитин Р.Ю., Бебихов Ю.В., Семенов А.С., 2026</copyright-statement><copyright-year>2026</copyright-year><copyright-holder xml:lang="ru">Зоря И.В., Полетаев Г.М., Ракитин Р.Ю., Бебихов Ю.В., Семенов А.С.</copyright-holder><copyright-holder xml:lang="en">Zorya I.V., Poletaev G.M., Rakitin R.Y., Bebikhov Y.V., Semenov A.S.</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://fermet.misis.ru/jour/article/view/3129">https://fermet.misis.ru/jour/article/view/3129</self-uri><abstract><p>С помощью молекулярно-динамического моделирования проведено исследование деформации сжатия наночастиц аустенита с нанокристаллической структурой при низких температурах. Авторы изучали влияние размера наночастицы (от 2 до 20 нм) и размера кристаллических зерен (от 2 до 8 нм) на ее прочность и на значение деформации сжатия, при которой достигается максимальное напряжение. Выделены особенности протекания пластической деформации в случае наночастиц с нанокристаллической структурой. Одноосное сжатие наночастицы осуществлялось в модели путем движения виртуальных плоскостей по две стороны от частицы с постоян­ной скоростью 10 м/с при начальной температуре 0 К. Прочность наночастиц уменьшается при уменьшении среднего размера зерна в них. По мере уменьшения размера самих нанокристаллических частиц, как и в случае монокристаллических, их прочность возрастает. В работе также выяснено, что с уменьшением размера частиц повышается значение деформации, при которой достигается максимальное напряжение при сжатии наночастиц. Уменьшение размера зерен приводит к уменьшению прочности, что связано с основным механизмом пластической деформации металлических частиц с нанокристаллической структурой ‒ зернограничным проскальзыванием. На первом этапе деформирования, как правило, происходит поворот всей структуры частицы до достижения максимального значения проекции вектора напряжения на преимущественную плоскость сдвига, которая в случае нанокристаллической структуры определялась взаимной ориентацией границ зерен. Вытянутые примерно вдоль одной плоскости границы зерен представляли в данном случае преимущественную плоскость сдвига.</p></abstract><trans-abstract xml:lang="en"><p>Molecular dynamics simulation was used to study the compressive deformation of austenite nanoparticles with a nanocrystalline structure at low temperatures. The authors studied the influence of nanoparticle size (from 2 to 20 nm) and crystalline grain size (from 2 to 8 nm) on their strength and on the value of compressive deformation at which maximum stress is achieved. The characteristics of plastic deformation in the case of nanoparticles with a nanocrystalline structure are highlighted. Uniaxial compression of the nanoparticle was simulated in the model by moving virtual planes on both sides of the particle with a constant velocity of 10 m/s at an initial temperature of 0 K. The study demonstrated that the nanoparticles strength decreases with decreasing average grain size. While the size of the nanocrystalline particles themselves decreases, as with single-crystal particles, their strength increases. The authors also found that with decreasing particle size, the value of deformation, at which maximum stress is achieved during nanoparticle compression, increases. A decrease in grain size leads to a decrease in strength, which is associated with the primary mechanism of plastic deformation of metal particles with a nanocrystalline structure: grain boundary sliding. During the first stage of deformation, the entire particle structure typically rotated until the maximum value of the stress vector projection onto the preferred shear plane was reached. In the case of a nanocrystalline structure, this was determined by the relative orientation of the grain boundaries. Grain boundaries, roughly aligned along the same plane, represented the preferred shear plane in this case.</p></trans-abstract><kwd-group xml:lang="ru"><kwd>молекулярная динамика</kwd><kwd>наночастица</kwd><kwd>нанокристаллическая структура</kwd><kwd>прочность</kwd><kwd>аустенит</kwd></kwd-group><kwd-group xml:lang="en"><kwd>molecular dynamics</kwd><kwd>nanoparticle</kwd><kwd>nanocrystalline structure</kwd><kwd>strength</kwd><kwd>austenite</kwd></kwd-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Dekker Encyclopedia of Nanoscience and Nanotechno­logy. Schwarz J.A., Lyshevski S.E., Contescu C.I. eds. Boca Raton: CRC Press; 2014;4200.</mixed-citation><mixed-citation xml:lang="en">Dekker Encyclopedia of Nanoscience and Nanotechno­logy. Schwarz J.A., Lyshevski S.E., Contescu C.I. eds. 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