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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">nuc</journal-id><journal-title-group><journal-title xml:lang="ru">Вестник НЯЦ РК</journal-title><trans-title-group xml:lang="en"><trans-title>NNC RK Bulletin</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">1729-7516</issn><issn pub-type="epub">1729-7885</issn><publisher><publisher-name>Национальный ядерный центр Республики Казахстан</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.52676/1729-7885-2024-2-11-17</article-id><article-id custom-type="elpub" pub-id-type="custom">nuc-626</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>ПОИСК СТАБИЛЬНЫХ СТРУКТУР ДЛЯ СИСТЕМЫ НИКЕЛЬ-СЕРА И СРАВНЕНИЕ С СИСТЕМОЙ ЖЕЛЕЗО-СЕРА</article-title><trans-title-group xml:lang="en"><trans-title>SEARCH FOR STABLE STRUCTURES FOR THE NICKEL-SULFUR SYSTEM AND COMPARISON WITH THE IRON-SULFUR SYSTEM</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>Базарбек</surname><given-names>А. Б.</given-names></name><name name-style="western" xml:lang="en"><surname>Bazarbek</surname><given-names>A. B.</given-names></name></name-alternatives><bio xml:lang="ru"><p>и.о. доцент,</p><p>Астана</p></bio><bio xml:lang="en"><p>PhD, Acting Associate Professor,</p><p>Astana</p></bio><email xlink:type="simple">asyl.bazarbek.92@mail.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>Акылбекова</surname><given-names>А. Д.</given-names></name><name name-style="western" xml:lang="en"><surname>Akylbekova</surname><given-names>A. D.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Астана</p></bio><bio xml:lang="en"><p>PhD, Acting Associate Professor,</p><p>Astana</p></bio><email xlink:type="simple">aiman88_8@mail.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>Кисабекова</surname><given-names>А. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Kissabekova</surname><given-names>A. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Павлодар</p></bio><bio xml:lang="en"><p>PhD, Acting Associate Professor,</p><p>Pavlodar</p></bio><email xlink:type="simple">akisabekova@mail.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>Ногай</surname><given-names>А. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Nogai</surname><given-names>A. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Астана</p></bio><bio xml:lang="en"><p>PhD, Acting Associate Professor,</p><p>Astana</p></bio><email xlink:type="simple">artur.n00@mail.ru</email><xref ref-type="aff" rid="aff-3"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Акилбеков</surname><given-names>А. Т.</given-names></name><name name-style="western" xml:lang="en"><surname>Akilbekov</surname><given-names>A. T.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Астана</p></bio><bio xml:lang="en"><p>Doctor of Science, professor</p></bio><email xlink:type="simple">akilbekov_at@enu.kz</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru">Евразийский национальный университет им. Л.Н. Гумилева<country>Казахстан</country></aff><aff xml:lang="en">L. N. Gumilyov Eurasian National University<country>Kazakhstan</country></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru">Высшая школа Естествознания, НАО «Павлодарский педагогический университет им. Ә. Марғұлан»<country>Казахстан</country></aff><aff xml:lang="en">Higher School of Natural Science, NJSC “Pavlodar Pedagogical University named after A. Margulan”<country>Kazakhstan</country></aff></aff-alternatives><aff-alternatives id="aff-3"><aff xml:lang="ru">Казахский агротехнический исследовательский университет<country>Казахстан</country></aff><aff xml:lang="en">Kazakh agro-technical research university<country>Kazakhstan</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2024</year></pub-date><pub-date pub-type="epub"><day>30</day><month>06</month><year>2024</year></pub-date><volume>0</volume><issue>2</issue><fpage>11</fpage><lpage>17</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Базарбек А.Б., Акылбекова А.Д., Кисабекова А.А., Ногай А.А., Акилбеков А.Т., 2024</copyright-statement><copyright-year>2024</copyright-year><copyright-holder xml:lang="ru">Базарбек А.Б., Акылбекова А.Д., Кисабекова А.А., Ногай А.А., Акилбеков А.Т.</copyright-holder><copyright-holder xml:lang="en">Bazarbek A.B., Akylbekova A.D., Kissabekova A.A., Nogai A.A., Akilbekov A.T.</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://journals.nnc.kz/jour/article/view/626">https://journals.nnc.kz/jour/article/view/626</self-uri><abstract><p>Ядро Земли состоит в основном из железа и никеля, образующих железо-никелевый сплав. В то же время сера является одним из потенциальных кандидатов на роль легкого элемента во внутреннем ядре. На сегодняшний день с помощью квантово-химического моделирования было проведено множество теоретических исследований для поиска промежуточных составов и структур в таких системах, как Fe-C, Fe-H, Fe-O, Fe-Si, Fe-S и Fe-P до давлений 400 ГПа.</p><p>Несмотря на обширные исследования систем железо-легкие элементы, на сегодняшний день не создана минералогическая модель ядра Земли, которая полностью соответствовала бы наблюдаемым сейсмологическим данным. Возможной причиной этого расхождения может быть недостаточный учет влияния ключевого легирующего элемента ядра – никеля. Теоретические исследования системы никель-легкие элементы при высоких давлениях были проведены недостаточно. Следовательно, необходимо провести более углубленные исследования этих бинарных систем с целью дальнейшего изучения и идентификации возможных промежуточных соединений в тройных системах Fe-Ni-S.</p></abstract><trans-abstract xml:lang="en"><p>The core of the Earth consists mainly of iron and nickel, forming an iron-nickel alloy. At the same time, sulfur is one of the potential candidates for the role of a light element in the inner core. To date, many theoretical studies have been conducted by quantum chemical modeling to search for intermediate compositions and structures in systems such as Fe-C, Fe-H, Fe-O, Fe-Si, Fe-S and Fe-P up to pressures of 400 GPa.</p><p>Despite extensive research on the iron-light element systems, to date no mineralogical model of the Earth's core has been created that fully corresponds to the observed seismological data. A possible reason for this discrepancy may be insufficient consideration of the influence of the core's key alloying element, nickel. Theoretical studies for the nickel-light element system at high pressures have not been sufficiently carried out. Therefore, it is necessary to conduct more in-depth studies of these binary systems in order to further study and identify possible intermediates in triple Fe-Ni-S systems.</p></trans-abstract><kwd-group xml:lang="ru"><kwd>теоретические расчеты</kwd><kwd>фазовый переход</kwd><kwd>лазерный нагрев</kwd><kwd>стабильная модификация</kwd><kwd>физика высокого давления</kwd></kwd-group><kwd-group xml:lang="en"><kwd>theoretical calculations</kwd><kwd>phase transition</kwd><kwd>laser heating</kwd><kwd>stable modification</kwd><kwd>high pressure physics</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">Sagatov N., Sagatova D., Gavryushkin P. and Litasov K. 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