Atomistic simulation of stacking faults in cementite: Planes containing vector [100]

Карькина, Л. Е.; Kar’kin, I. N.; Zubkova, T. A.

doi:10.1134/s0031918x14080067

Cited by 7 publications

(7 citation statements)

References 15 publications

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“…It can be obtained from the plot of the SF energy dependence on the magnitude of the shear parallel to the Burgers vector of full or partial dislocations performing plastic deformation. Details of the calculations of stable and unstable SF energies are given by Kar'kina and co-workers (Kar'kina, Kar'kin & Kuznetsov, 2014;Kar'kina, Kar'kin & Zubkova, 2014;. The calculations revealed the planes (and sections) with the lowest values of stable and unstable SF energies.…”

Section: Elementary Events Of Dislocation Reactions At the Interfacesmentioning

confidence: 96%

“…These planes contain the vector [010] C parallel both to the Burgers vector of dislocations in cementite and to the intersection line between cementite slip planes and the Fe/Fe 3 C interface plane. The MD method has been used (Kar'kina, Kar'kin & Kuznetsov, 2014;Kar'kina, Kar'kin & Zubkova, 2014) to study surfaces and the energies of stable and unstable SFs in the (001) C , (100) C , (103) C , (101) C , (102) C , (201) C and (301) C planes of cementite, which contain the Burgers vector [010] C of the perfect dislocation. Owing to the complex noncubic structure of the cementite lattice in each of the studied planes, there are several non-equivalent sections differing in the magnitude of the interplanar spacings and in the type of packing of atoms in the atomic planes closest to a given section.…”

Section: Slip Planementioning

confidence: 99%

“…However, the determination of the types of operating slip systems in cementite in thin-plate pearlite is facing great experimental difficulties. So, slip planes and Burgers vectors of the dislocations in cementite were studied by atomistic simulation of the structure and energies of generalized stacking faults (SFs) for some planes of cementite (Kar'kina, Kar'kin & Kuznetsov, 2014;Kar'kina, Kar'kin & Zubkova, 2014;. The dependence of the energy of an SF on the shear vector determines surfaces.…”

Section: Introductionmentioning

confidence: 99%

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Crystallographic analysis of slip transfer mechanisms across the ferrite/cementite interface in carbon steels with fine lamellar structure

et al. 2015

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The results of crystallographic analysis of deformation transfer mechanisms across the ferrite/cementite interface in fine lamellar pearlite are presented. The possibility of a strain transfer was evaluated using the LRB criteria that are used for the slip transfer mechanisms across grain boundaries [Lee, Robertson & Birnbaum (1989). Scr. Metall.23, 799–803; (1990). Metall. Trans. A, 21, 2437–2447; (1990). Philos. Mag. A, 62, 131–153]. Dislocation reactions at the Fe/Fe3C interface were studied, taking into account Bagaryatsky and Isaichev orientation relationships between ferrite and cementite observed for fine lamellar pearlite. Slip planes and Burgers vectors of full and partial dislocations in cementite have been proposed on the basis of the results of atomistic simulations of stacking faults for some planes of cementite. It has been found that strain transfer through the Fe/Fe3C interface is possible only for half of the slip systems 1/2〈111〉{110}F and for quarter of the slip systems 1/2〈111〉{112}F of ferrite. Other slip systems do not cross the interface and are involved in the hardening of the ferrite phase of pearlite.

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Section: Elementary Events Of Dislocation Reactions At the Interfacesmentioning

confidence: 96%

Section: Slip Planementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Crystallographic analysis of slip transfer mechanisms across the ferrite/cementite interface in carbon steels with fine lamellar structure

et al. 2015

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“…Релаксационные характеристики трещин оценивались по величине энергии нестабильных дефектов упаковки  us , характеризующих способность к скольжению при сдвиге одной части кристалла относительно другой. Результаты расчетов энергии обобщенных дефектов упаковки в плоскостях, содержащих векторы Бюргерса [100] и [010] цементита представлены в работах [18,19]. Наиболее легкое скольжение получено для движения частичных дислокаций с вектором Бюргерса α[010], где α ~ 0.4, в плоскости (001) цементита.…”

Section: энергия нестабильных дефектов упаковкиunclassified

“…Именно эта мода деформации наблюдалась экспериментально при небольшой степени деформации в карбидах глобулярного перлита [20]. [17][18][19][20]. Представленные в табл.…”

Section: энергия нестабильных дефектов упаковкиunclassified

Ultimate theoretical strength of cementite in the (100), (010) and (001) planes

Карькина¹,

Кузнецов²,

Kar’kin³

2016

DREAM

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Diagnostics, Resource and Mechanics of materials and structures Issue 5, 2016 67 Karkina L.E. et al. / Ultimate theoretical strength of cementite in the (100), (010) and (001) planes.Atomistic analysis of the ultimate theoretical strength of cementite in the (100), (010) and (001) planes has been performed using the molecular dynamics method. To characterize fracture, the decohesion energy, the Griffith surface energy for crack planes and the brittle fracture parameter in the Rice-Thompson model have been calculated. It is demonstrated that crack blunting may occur only in the (001) plane due to plastic strain relaxation at its top. The fracture parameter is either too large, or plastic relaxation of stresses at the crack tip is impossible in the (010) and (100) planes due to the location geometry of the studied cleavage planes and the easiest modes of plastic relaxation. The crack in the (100) and (010) planes opens in a brittle way.

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Cementite

Bhadeshia

2019

International Materials Reviews

111

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Cementite occurs in steels, in meteorites, possibly at the core of the Earth and has uses in its pure form. It's composition can deviate from Fe 3 C, but not by much because the Fe-C bond contributes to its cohesion. Its crystallographic unit cell is orthorhombic and primitive, with large lattice parameters, explaining its hardness. Many of its properties are anisotropic. Its single-crystal elastic properties have been investigated using first-principles calculations and by clever experiments. The iron atoms in the cell occupy two types of positions with different point symmetries; the four carbon atoms lodge within prismatic interstices. The structure can develop defects such as dislocations, faults and vacancies. Cementite is metallic and ferromagnetic with a Curie temperature of about 187 • C. When alloyed, metallic solutes substitute on to the iron sites; smaller atoms such as boron replace carbon at interstitial sites. This review focuses on cementite as a single phase.

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Atomistic simulation of stacking faults in cementite: Planes containing vector [100]

Cited by 7 publications

References 15 publications

Crystallographic analysis of slip transfer mechanisms across the ferrite/cementite interface in carbon steels with fine lamellar structure

Crystallographic analysis of slip transfer mechanisms across the ferrite/cementite interface in carbon steels with fine lamellar structure

Ultimate theoretical strength of cementite in the (100), (010) and (001) planes

Cementite

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