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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">ipolytech</journal-id><journal-title-group><journal-title xml:lang="ru">iPolytech Journal</journal-title><trans-title-group xml:lang="en"><trans-title>iPolytech Journal</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2782-4004</issn><issn pub-type="epub">2782-6341</issn><publisher><publisher-name>Irkutsk National Research Technical University</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.21285/1814-3520-2023-3-511-517</article-id><article-id custom-type="edn" pub-id-type="custom">ZTLDOL</article-id><article-id custom-type="elpub" pub-id-type="custom">ipolytech-732</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>МАШИНОСТРОЕНИЕ</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>MECHANICAL ENGINEERING</subject></subj-group></article-categories><title-group><article-title>Проектирование покрытий металлорежущего инструмента на атомарном уровне</article-title><trans-title-group xml:lang="en"><trans-title>Design of metal-cutting tool coatings at the atomic level</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>Мокрицкий</surname><given-names>Б. Я.</given-names></name><name name-style="western" xml:lang="en"><surname>Mokritskii</surname><given-names>B. Ya.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Мокрицкий Борис Яковлевич, доктор технических наук, доцент, профессор кафедры технологии машиностроения</p><p>681013, г. Комсомольск-на-Амуре, пр. Ленина, 27</p></bio><bio xml:lang="en"><p>Boris Ya. Mokritskii, Dr. Sci. (Eng.), Associate Professor, Professor of the Department of Mechanical Engineering Technology</p><p>27, Lenin Prospect, Komsomolsk-on-Amur 681013</p></bio><email xlink:type="simple">boris@knastu.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>Космынин</surname><given-names>А. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Kosmynin</surname><given-names>A. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Космынин Александр Витальевич, доктор технических наук, профессор, проректор по науке и инновационной работе</p><p>681013, г. Комсомольск-на-Амуре, пр. Ленина, 27</p></bio><bio xml:lang="en"><p>Alexander V. Kosmynin, Dr. Sci. (Eng.), Professor, Vice-Rector for Research and Innovation</p><p>27, Lenin Prospect, Komsomolsk-on-Amur 681013</p></bio><email xlink:type="simple">avkosm@knastu.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Комсомольский-на-Амуре государственный университет</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Komsomolsk-na-Amure State University</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2023</year></pub-date><pub-date pub-type="epub"><day>02</day><month>10</month><year>2023</year></pub-date><volume>27</volume><issue>3</issue><fpage>511</fpage><lpage>517</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Мокрицкий Б.Я., Космынин А.В., 2023</copyright-statement><copyright-year>2023</copyright-year><copyright-holder xml:lang="ru">Мокрицкий Б.Я., Космынин А.В.</copyright-holder><copyright-holder xml:lang="en">Mokritskii B.Y., Kosmynin A.V.</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://ipolytech.elpub.ru/jour/article/view/732">https://ipolytech.elpub.ru/jour/article/view/732</self-uri><abstract><p>Цель работы – снизить инструментальные затраты за счет сокращения времени на проектирование покрытий  на  твердосплавном  отечественном  металлорежущем  инструменте  путем  применения  атомарно-силового подхода. Объектом исследования являются покрытия на твердом сплаве группы карбидов вольфрама, например: покрытия карбидом титана ТiC, нитридом титана ТiN, титаном Ti или нитридом сложносоставного покрытия смеси титана, хрома и алюминия (Ti,Cr,Al)N. Для выбора наиболее рациональных покрытий применен метод расчета функционалов межатомных систем с использованием функциональной плотности одиночных атомов. Наиболее простой мерой, позволяющей снизить расходы на проектирование металлорежущего инструмента для изготовления деталей, выполненных из труднообрабатываемых материалов, является разработка покрытий для данного вида инструментов. Рассмотрены различные схемы расположения атомов в материале покрытия по отношению к твердосплавному материалу ВК8. Рассчитанные величины энергии взаимодействия атомов материала покрытия между собой и с материалом твердого сплава составили от 3,04 до 3,5 Дж/м2. Установлена взаимосвязь результатов расчета с эксплуатационным параметром металлорежущего инструмента по коэффициенту трещиностойкости К1с (МПа.√м). Главным результатом проведенных исследований является то, что расчетным методом определена величина адгезии для атомов материала покрытий, указанных выше, с атомами карбида вольфрама и кобальта, уложенных в разные масштабные конфигурации. Это позволяет классифицировать покрытия с позиций обеспечения максимальных эксплуатационных свойств инструментального материала. Предполагается, что чем выше величина адгезии, тем лучше эксплуатационные свойства. Это подтверждено экспериментально и по значениям коэффициента трещиностойкости К1с. Таким образом, выбраны наиболее рациональные варианты покрытий под заданные условия эксплуатации металлорежущего инструмента, что позволяет сократить затраты на проектирование инструмента и обеспечивает возможность прогнозирования эксплуатационных свойств инструмента на этапе его проектирования.</p></abstract><trans-abstract xml:lang="en"><p>The research aims to lower tooling costs by reducing the time allotted to designing coatings on domestic cemented carbide metal-cutting tools by using the atomic force approach. The object of the study is coatings on cemented carbides of the tungsten carbide group such as titanium carbide (TiC), titanium nitride (TiN), and titanium (Ti) coatings or a nitride-based titanium, chromium and aluminum (Ti,Cr,Al)N composite coating. To select the most rational coatings, the article employed the method of calculating the functionals of interatomic systems using the density functional description of single atoms. The simplest measure to reduce the cost of designing metal-cutting instruments for manufacturing parts made of difﬁcult-to-machine materials is to develop coatings for this tool type. The article considers various atomic arrangements in the coating material in relation to the WCo8 cemented carbide (VK8, tungsten carbide-cobalt alloy containing 8% cobalt). The calculated values of the interaction energy of the coating material atoms with one another and with the cemented carbide material ranged from 3.04 to 3.5 J/m2. Moreover, the research has established a correlation between the calculation results and the performance parameter of metal-cutting tools considering fracture toughness K1c (MPa ∙ √m). The main result of the study is that the employed computational method made it possible to determine the adhesion value for the atoms of the above-mentioned coating materials with tungsten carbide and cobalt atoms packed in different scale conﬁgurations. This enables the classiﬁcation of coatings from the perspective of ensuring maximum performance properties of the tooling material. The present article assumes that the higher the adhesion value, the better the performance properties. The hypothesis has been conﬁrmed experimentally as well as by the values of fracture toughness K1c. Thus, the most rational coating options have been selected for speciﬁed operating conditions of a metal-cutting tool, which permits reduction of tool design costs and makes it possible to predict the performance properties of tools at the design stage.</p></trans-abstract><kwd-group xml:lang="ru"><kwd>атомарно силовой подход к проектированию покрытий</kwd><kwd>покрытия на твердом сплаве</kwd><kwd>сокращение инструментальных затрат</kwd></kwd-group><kwd-group xml:lang="en"><kwd>atomic force approach to coating design</kwd><kwd>cemented carbide coatings</kwd><kwd>tooling cost reduction</kwd></kwd-group><funding-group><funding-statement xml:lang="ru">Исследование выполнено за счет гранта Российского научного фонда № 23-29-00393, https://rscf.ru/project/23-29-00393/.</funding-statement><funding-statement xml:lang="en">The study was supported by the Russian Science Foundation, grant No. 23-29-00393, https://rscf.ru/project/23-29-00393/.</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">Мокрицкий Б.Я., Заводинский В.Г., Гаркуша О.А. 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