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<article 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" xmlns:ali="http://www.niso.org/schemas/ali/1.0/" article-type="research-article" dtd-version="1.2" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">Melts</journal-id><journal-title-group><journal-title xml:lang="en">Melts</journal-title><trans-title-group xml:lang="ru"><trans-title>Расплавы</trans-title></trans-title-group></journal-title-group><issn publication-format="print">0235-0106</issn><issn publication-format="electronic">3034-5715</issn><publisher><publisher-name xml:lang="en">The Russian Academy of Sciences</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="publisher-id">680920</article-id><article-id pub-id-type="doi">10.31857/S0235010625020021</article-id><article-categories><subj-group subj-group-type="toc-heading" xml:lang="en"><subject>Articles</subject></subj-group><subj-group subj-group-type="toc-heading" xml:lang="ru"><subject>Статьи</subject></subj-group><subj-group subj-group-type="article-type"><subject>Research Article</subject></subj-group></article-categories><title-group><article-title xml:lang="en">Selection of the optimal composition of plasma coating of the Ni‒B‒Si system by the CALPHAD methods</article-title><trans-title-group xml:lang="ru"><trans-title>Подбор оптимального состава плазменного покрытия системы Ni‒B‒Si методами CALPHAD</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Bakhteev</surname><given-names>I. S.</given-names></name><name xml:lang="ru"><surname>Бахтеев</surname><given-names>И. С.</given-names></name></name-alternatives><address><country country="RU">Russian Federation</country></address><email>igor.bakhteev@urfu.ru</email><xref ref-type="aff" rid="aff1"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Oleinik</surname><given-names>K. I.</given-names></name><name xml:lang="ru"><surname>Олейник</surname><given-names>К. И.</given-names></name></name-alternatives><address><country country="RU">Russian Federation</country></address><email>igor.bakhteev@urfu.ru</email><xref ref-type="aff" rid="aff1"/><xref ref-type="aff" rid="aff2"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Litvinyuk</surname><given-names>K. S.</given-names></name><name xml:lang="ru"><surname>Литвинюк</surname><given-names>К. С.</given-names></name></name-alternatives><address><country country="RU">Russian Federation</country></address><email>igor.bakhteev@urfu.ru</email><xref ref-type="aff" rid="aff3"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Furman</surname><given-names>E. L.</given-names></name><name xml:lang="ru"><surname>Фурман</surname><given-names>Е. Л.</given-names></name></name-alternatives><address><country country="RU">Russian Federation</country></address><email>igor.bakhteev@urfu.ru</email><xref ref-type="aff" rid="aff1"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Valiev</surname><given-names>R. M.</given-names></name><name xml:lang="ru"><surname>Валиев</surname><given-names>Р. М.</given-names></name></name-alternatives><address><country country="RU">Russian Federation</country></address><email>igor.bakhteev@urfu.ru</email><xref ref-type="aff" rid="aff1"/></contrib></contrib-group><aff-alternatives id="aff1"><aff><institution xml:lang="en">Ural Federal University named after the first President of Russia B. N. Yeltsin</institution></aff><aff><institution xml:lang="ru">Уральский Федеральный Университет имени первого президента России Б.Н. Ельцина</institution></aff></aff-alternatives><aff-alternatives id="aff2"><aff><institution xml:lang="en">Institute of Metallurgy, Ural Branch of the Russian Academy of Sciences</institution></aff><aff><institution xml:lang="ru">Институт металлургии УрО РАН</institution></aff></aff-alternatives><aff-alternatives id="aff3"><aff><institution xml:lang="en">South Ural State University (national research university)</institution></aff><aff><institution xml:lang="ru">Южно‒Уральский государственный университет (национальный исследовательский университет)</institution></aff></aff-alternatives><pub-date date-type="pub" iso-8601-date="2025-03-15" publication-format="electronic"><day>15</day><month>03</month><year>2025</year></pub-date><issue>2</issue><issue-title xml:lang="ru"/><fpage>100</fpage><lpage>113</lpage><history><date date-type="received" iso-8601-date="2025-05-28"><day>28</day><month>05</month><year>2025</year></date></history><permissions><copyright-statement xml:lang="en">Copyright ©; 2025, Russian Academy of Sciences</copyright-statement><copyright-statement xml:lang="ru">Copyright ©; 2025, Российская академия наук</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="en">Russian Academy of Sciences</copyright-holder><copyright-holder xml:lang="ru">Российская академия наук</copyright-holder></permissions><self-uri xlink:href="https://journals.eco-vector.com/0235-0106/article/view/680920">https://journals.eco-vector.com/0235-0106/article/view/680920</self-uri><abstract xml:lang="en"><p>Copper and alloys are widely used in parts of metallurgical equipment. Due to high heat capacity and reflectivity of IR radiation, copper parts have found application in water‒cooled blast furnace elements, such as tuyeres, which are subject to active gas‒abrasive, erosive and other types of wear and gas corrosion. Copper and its alloys have low resistance to wear and corrosion. To increase the resistance of copper parts, thermal barrier coatings of the Ni–B–Si, Ni–Cr–Al–Y and ZrO<sub>2</sub> systems are offered. However, the first layers of the coating have low adhesion, and consequently, low strength of the first and subsequent layers. Laser remelting solves the problem of adhesion of the first layer to copper and the remaining layers to the fused layer. Using the CALPHAD methods in the TermoCalc software package (software version number 2024.1.132110‒55), the effect of reflow on the properties of the protective coating of the Ni‒B‒Si system was simulated. The following composition was chosen as the base: Ni – 86.97 at.%, B – 6.93 at.%, Si – 6.1 at.%. When laser radiation is applied to a coating applied by the gas‒thermal method, active interaction of the coating components with copper is observed, forming a continuous coating containing new phases and chemical elements. The appearance of some of these phases occasionally leads to cracking due to the formation of a stable compound of copper‒nickel alloy (monel metal), which has relatively low plasticity. Using X‒ray phase analysis data, it was confirmed that during the melting process, active mixing of the coating components (Ni–B–Si) with the substrate components (Cu) occurs, forming a stable compound of Cu with Ni. In this regard, using mathematical modeling, the density changes were predicted and the crystallization rates were determined using the Sheil method, as well as the phases formed during cooling in the coating, namely: Ni<sub>86.97</sub>‒B<sub>6.93</sub>‒Si<sub>6.1,</sub> Ni<sub>84.47</sub>‒Cu<sub>2.5</sub>‒B<sub>6.93</sub>‒Si<sub>6.1</sub>, Ni<sub>81.97</sub>Cu<sub>5</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>76.97</sub>Cu<sub>10</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>71.97</sub>Cu<sub>15</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>66.97</sub>Cu<sub>20</sub>B<sub>6.93</sub>Si<sub>6.1</sub>. Using calculation methods, based on the provisions of thermodynamics, the process of laser melting is described during heating from 1750 K to 3000 K and subsequent cooling from 1750 K to 500 K. When studying the melting process, for all compositions it was determined that a copper content in the coating of about 15‒20 at.% is favorable for the formation of a good quality coating, since at these concentrations the most complete release of copper atoms from the grain boundaries occurs, their transition to the surface layers of the coating and their binding with nickel into stable compounds of the monel‒metal type.</p></abstract><trans-abstract xml:lang="ru"><p>Медь и ее сплавы широко применяются в деталях металлургического оборудования. Из‒за высокой теплоемкости и отражающей способности излучения ИК‒диапазона, детали из меди нашли применение в водоохлаждаемых элементах доменных печей, например, в фурмах, повергающихся активному газо‒абразивному, эрозионному и другим видам износа и газовой коррозии. Медь и ее сплавы имеют низкую стойкость против износа и коррозии. Для увеличения стойкости медных деталей предлагаются термобарьерные покрытия путем последовательного нанесения систем Ni–B–Si, Ni–Cr–Al‒Y и ZrO<sub>2</sub>. Однако, первые слои покрытия имеют низкую адгезию, и как следствие, низкую прочность первого и последующих слоев. Лазерное переплавление решает проблему адгезии первого слоя к меди и остальных слоев к оплавленному слою. Используя методы CALPHAD в программном пакете TermoCalc (номер версии программного обеспечения 2024.1.132110‒55) проведено моделирование влияния оплавления на свойства защитного покрытия системы Ni–B–Si. В качестве базового был выбран состав: Ni – 86.97 ат.%, B – 6.93 ат.%, Si – 6.1 ат.%. При воздействии лазерного излучения на покрытие, нанесенное газотермическим методом, наблюдается активное взаимодействие компонентов покрытия с медью с образованием сплошного слоя, содержащего в себе новые фазы и химические элементы. Появление некоторых из этих фаз изредка приводит к растрескиванию вследствие образования медно‒никелевого сплава (монель‒металла), обладающего относительно невысокой пластичностью. С использованием данных рентгенофазового анализа подтверждено, что в процессе оплавления происходит активное перемешивание компонентов покрытия (Ni–B–Si) с компонентами подложки (Cu) с образованием устойчивого соединения Cu с Ni. В связи с этим, при помощи математического моделирования, спрогнозированы изменения плотности и методом Шейла определены скорости кристаллизации, а также фазы, образующиеся при охлаждении в покрытии, а именно: Ni<sub>86.97</sub>B<sub>6.93</sub>Si<sub>6.1,</sub> Ni<sub>84.47</sub>Cu<sub>2.5</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>81.97</sub>Cu<sub>5</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>76.97</sub>Cu<sub>10</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>71.97</sub>Cu<sub>15</sub>B<sub>6.93</sub>Si<sub>6.1</sub>, Ni<sub>66.97</sub>Cu<sub>20</sub>B<sub>6.93</sub>Si<sub>6.1</sub>. С помощью расчетных методов, исходя из положений термодинамики, описан процесс лазерного оплавления при нагреве от 1750 К до 3000 К и последующем охлаждении от 1750 К до 500 К. При исследовании процесса оплавления, для всех составов определено, что благоприятным для формирования покрытия хорошего качества является содержание меди в покрытии порядка 15–20 ат.%, так как при этих концентрациях происходит наиболее полное высвобождение атомов меди с границ зерен, их переход в приповерхностные слои покрытия и связывание их с никелем в устойчивые соединения типа монель‒металл.</p></trans-abstract><kwd-group xml:lang="en"><kwd>thermal spray coating</kwd><kwd>CALPHAD</kwd><kwd>TermoCalc</kwd><kwd>Cu</kwd><kwd>Ni‒B‒Si</kwd><kwd>laser surface melting</kwd><kwd>monel‒metal</kwd><kwd>X‒ray phase analysis</kwd></kwd-group><kwd-group xml:lang="ru"><kwd>газотермическое покрытие</kwd><kwd>CALPHAD</kwd><kwd>TermoCalc</kwd><kwd>Cu</kwd><kwd>Ni‒B‒Si</kwd><kwd>лазерное оплавление поверхности</kwd><kwd>монель‒металл</kwd><kwd>рентгенофазовый анализ</kwd></kwd-group><funding-group/></article-meta></front><body></body><back><ref-list><ref id="B1"><label>1.</label><citation-alternatives><mixed-citation xml:lang="en">Appiah A. 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