najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2025-16-2-225-234najo-19Research ArticlePHYSICSФИЗИКАElastic and thermal properties of some ternary β-Ti based alloysУпругие и тепловые свойства ряда тройных сплавов на основе β-Tihttps://orcid.org/0000-0002-0234-884XКаспарянС. О.KasparyanS. O.

Сергей Олегович Каспарян

пр. Академический, 2/4, Томск, 634055

пр. Ленина, 36, Томск, 634050

Sergey O. Kasparyan

Akademicheskii, 2/4, Tomsk, 634055

Lenina, 36, Tomsk, 634050

ks-ftf-isopams@mail.ruhttps://orcid.org/0009-0008-4124-450XОрдабаевА. Е.OrdabaevA. E.

Адиль Еркенович Ордабаев

пр. Ленина, 36, Томск, 634050

Adil E. Ordabaev

Lenina, 36, Tomsk, 634050

adil.ordabaev04@gmail.comhttps://orcid.org/0000-0001-5099-3942БакулинА. В.BakulinA. V.

Александр Викторович Бакулин

пр. Академический, 2/4, Томск, 634055

Alexander V. Bakulin

Akademicheskii, 2/4, Tomsk, 634055

bakulin@ispms.ruhttps://orcid.org/0000-0002-7155-3492КульковаС. Е.KulkovaS. E.

Кулькова Светлана Евгеньевна

пр. Академический, 2/4, Томск, 634055

Svetlana E. Kulkova

Akademicheskii, 2/4, Tomsk, 634055

kulkova@ispms.ruИнститут физики прочности и материаловедения Сибирского отделения Российской академии наук; Национальный исследовательский Томский государственный университетInstitute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences; National Research Tomsk State UniversityНациональный исследовательский Томский государственный университетNational Research Tomsk State UniversityИнститут физики прочности и материаловедения Сибирского отделения Российской академии наукInstitute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences202519052025162225234Copyright © Kasparyan S.O., Ordabaev A.E., Bakulin A.V., Kulkova S.E., 20252025Каспарян С.О., Ордабаев А.Е., Бакулин А.В., Кулькова С.Е.Kasparyan S.O., Ordabaev A.E., Bakulin A.V., Kulkova S.E.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/19

The elastic moduli and some thermal properties of four series of ternary β-Ti based alloys of the XY3Ti11 composition, where X and Y are elements of IVB–VIB, IIIA and IVA groups, have been studied using the projector augmented wave method within the density functional theory. It has been shown that the calculated Young’s moduli in these series of alloys are lower than those in commercially pure α-Ti titanium or in the Ti-6Al-4V alloy. With an increase in the concentration of s,p-elements and the number of electrons in the d-band of the X-metal, the Young’s modulus tends to decrease. The variation of Debye temperature, acoustic Gruneisen parameter and thermal conductivity in titanium alloy series is discussed. It is shown that¨ high thermal conductivity correlates with high Debye temperature, which in turn increases with increase of the values of the Young’s modulus.

Методом проекционных присоединенных волн в рамках теории функционала плотности проведено изучение упругих модулей и ряда тепловых свойств четырех серий тройных сплавов на основе β-Ti состава XY3Ti11, где Х и Y – элементы IVB–VIB, IIIA и IVA групп. Показано, что в данных сериях сплавов рассчитанные модули Юнга меньше, чем в чистом техническом α-Ti титане или в сплаве Ti-6Al-4V. С увеличением концентрации s,p-элементов и числа электронов на d-оболочке Х-металла модуль Юнга демонстрирует тенденцию к понижению. Обсуждается изменение температуры Дебая, акустического параметра Грюнайзена, а также теплопроводности в рядах титановых сплавах. Показано, что высокая теплопроводность коррелирует с высокими значениями температуры Дебая, которая, в свою очередь, увеличивается с ростом значений модуля Юнга. 

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The authors declare that there are no conflicts of interest present.