blackmetИзвестия высших учебных заведений. Черная МеталлургияIzvestiya. Ferrous Metallurgy0368-07972410-2091National University of Science and Technology "MISIS"10.17073/0368-0797-2022-12-861-868blackmet-2451Research ArticleМАТЕРИАЛОВЕДЕНИЕMATERIAL SCIENCEЭнергия и скорость скольжения краевой и винтовой дислокаций в аустените и стали Гадфильда: молекулярно-динамическое моделированиеEnergy and velocity of sliding of edge and screw dislocations in austenite and Hadfield steel: Molecular dynamics simulationhttps://orcid.org/0000-0001-5748-813XЗоряИ. В.ZoryaI. V.

Ирина Васильевна Зоря, к.т.н., доцент, заведующий кафедрой тепло­газоводоснабжения, водоотведения и вентиляции

Россия, 654007, Кемеровская обл. – Кузбасс, Новокузнецк, ул. Кирова, 42

Irina V. Zorya, Cand. Sci. (Eng.), Assist. Prof., Head of the Chair of Heat-Gas-Water Supply, Water Disposal and Ventilation

42 Kirova Str., Novokuznetsk, Kemerovo Region – Kuzbass 654007, Russian Federation

zorya.i@mail.ruhttps://orcid.org/0000-0002-5252-2455ПолетаевГ. М.PoletaevG. M.

Геннадий Михайлович Полетаев, д.ф.-м.н., профессор, заведующий кафедрой высшей математики и математического моделирования

Россия, 656038, Алтайский край, Барнаул, пр. Ленина, 46

Gennadii M. Poletaev, Dr. Sci. (Phys.-Math.), Prof., Head of the Chair of Advanced Mathematics and Mathematical Modeling

46 Lenina Ave., Barnaul, Altai Territory 656038, Russian Federation

gmpoletaev@mail.ruhttps://orcid.org/0000-0002-6341-2761РакитинР. Ю.RakitinR. Yu.

Роман Юрьевич Ракитин, к.ф.-м.н., доцент, директор колледжа

656038, Россия, Алтайский край, Барнаул, Комсомольский пр., 100

Roman Yu. Rakitin, Cand. Sci. (Phys.-Math.), Assist. Prof., Director of the College

100 Komsomol'skii Ave., Barnaul, Altai Territory 656038, Russian Federation

gmpoletaev@mail.ruСибирский государственный индустриальный университетРоссияSiberian State Industrial UniversityRussian FederationАлтайский государственный технический университет им. И.И. ПолзуноваРоссияPolzunov Altai State Technical UniversityRussian FederationАлтайский государственный университетРоссияAltai State UniversityRussian Federation2022311220226512861868Copyright © Зоря И.В., Полетаев Г.М., Ракитин Р.Ю., 20232023Зоря И.В., Полетаев Г.М., Ракитин Р.Ю.Zorya I.V., Poletaev G.M., Rakitin R.Y.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://fermet.misis.ru/jour/article/view/2451

Методом молекулярной динамики проведено исследование скольжения краевой и винтовой дислокаций в стали Гадфильда и в чистом ГЦК железе (аустените) в зависимости от температуры и скорости деформирования. Полная дислокация появляется в настоящей модели сразу в виде расщепленной на пару частичных дислокаций Шокли, разделенных дефектом упаковки. Расстояние между частичными дислокациями составляет несколько нанометров. При увеличении скорости сдвига это расстояние уменьшается. Согласно полученным данным энергии краевой и винтовой дислокаций в стали выше, чем в чистом аустените. Энергия полной краевой дислокации в γ-железе и в стали Гадфильда составляет в среднем 2,0 и 2,3 эВ/Å, винтовой – 1,3 и 1,5 эВ/Å соответственно. Получены зависимости скорости скольжения краевой и винтовой дислокаций в зависимости от скорости сдвига и температуры. Скорость скольжения краевой дислокации во всех случаях выше, чем винтовой, что объясняется отличием скорости распространения продольной и поперечной волн в материале. С ростом скорости сдвига скорость скольжения возрастает до определенного предела, зависящего от скорости распространения соответствующих упругих волн. При низких и нормальных температурах скорость скольжения дислокаций в стали Гадфильда существенно (примерно в полтора раза) ниже по сравнению с чистым ГЦК железом. В чистом железе с ростом температуры скорость скольжения дислокаций уменьшается. Однако для стали Гадфильда эта зависимость немонотонна: по мере увеличения температуры примерно до 500 К скорость дислокаций возрастает (что связано связано, по всей видимости, с интенсификацией диффузии примесных атомов углерода), а затем, как и в железе, падает.

The sliding of edge and screw dislocations in Hadfield steel and in pure HCC iron (austenite) depending on temperature and deformation rate was studied by the method of molecular dynamics. The complete dislocation appears in the present model immediately in the form of a split into a pair of partial Shockley dislocations separated by a packing defect. The distance between partial dislocations is several nanometres. As the shear rate increases, this distance decreases. According to the data obtained, the energies of edge and screw dislocations in steel are higher than in pure austenite. The energy of the total edge dislocation in γ-iron and Hadfield steel averages 2.0 and 2.3 eV/Å, helical – 1.3 and 1.5 eV/Å respectively. Dependences of the sliding velocity of the edge and screw dislocations on the shear rate and temperature were obtained. The sliding velocity of the edge dislocation is in all cases higher than the screw one, which is explained by the difference in the propagation velocity of longitudinal and transverse waves in the material. With an increase in the shear rate, the sliding speed increases to a certain limit, depending on the propagation velocity of the corresponding elastic waves. At low and normal temperatures, the sliding velocity of dislocations in Hadfield steel is significantly (about one and a half times) lower compared to pure HCC iron. In pure iron, the sliding velocity of dislocations decreases with increasing temperature. However, for Hadfield steel, this dependence is nonmonotonic: as the temperature increases to about 500 K, the dislocation rate increases. That is probably due to the intensification of diffusion of impurity carbon atoms; then, as in iron, it decreases.

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