Structure and strength of 〈110〉 tilt grain boundaries in bcc Fe: An atomistic study

Terentyev, D.; He, Xinfu; Serra, A.; Kuriplach, J.

doi:10.1016/j.commatsci.2010.05.033

Cited by 61 publications

(27 citation statements)

References 17 publications

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“…It is also known that grain boundaries come in a wide variety [39][40][41][42][43][44][45] and that many interfaces are stronger than others [46][47][48][49][50][51]. The interaction of grain boundaries with dislocations, the traditional carrier of plasticity, is of critical importance to the strength of metals [52][53][54][55].…”

Section: Physical Polycrystalline Modelsmentioning

confidence: 99%

Grain-size dependent mechanical behavior of nanocrystalline metals

Hahn

Meyers

2015

Materials Science and Engineering: A

195

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Grain size has a profound effect on the mechanical response of metals. Molecular dynamics continues to expand its range from a handful of atoms to grain sizes up to 50 nm, albeit commonly at strain rates generally upwards of 10 6 s -1 . In this review we examine the most important theories of grain size dependent mechanical behavior pertaining to the nanocrystalline regime. For the sake of clarity, grain sizes d are commonly divided into three regimes: d > 1μm, 1 μm < d < 100 nm; and d < 100 nm. These different regimes are dominated by different mechanisms of plastic flow initiation. We focus here in the region d < 100 nm, aptly named the nanocrystalline region. An interesting and representative phenomenon at this reduced spatial scale is the inverse Hall-Petch effect observed experimentally and in MD simulations in FCC, BCC, and HCP metals. Significantly, we compare the results of molecular dynamics simulations with analytical models and mechanisms based on the contributions of Conrad and Narayan and Argon and Yip, who attribute the inverse Hall-Petch relationship to the increased contribution of grain-boundary shear as the grain size is reduced. The occurrence of twinning, more prevalent at the high strain rates enabled by shock compression, is evaluated.2

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Section: Physical Polycrystalline Modelsmentioning

confidence: 99%

Grain-size dependent mechanical behavior of nanocrystalline metals

Hahn

Meyers

2015

Materials Science and Engineering: A

195

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“…1, where a dotted line shows the position of the GB plane and a solid line connects atoms forming an identical structural unit. In our previous work, the ground state configurations of these GBs were discussed in terms of the deviation of atomic positions as compared to the perfectly symmetric structures [19]. For the currently used Fe-Fe interatomic potential it was found that for all GBs, very little or no relaxation at all occurs along the tilt axis.…”

Section: Molecular Static Simulationsmentioning

confidence: 99%

“…All details about relaxation procedure and construction of the GBs are described in Ref. [19] and here we only briefly recall the main points. The initial separation between two layers belonging to the different grains was set to that inside the grains.…”

Section: Molecular Static Simulationsmentioning

confidence: 99%

Segregation of Cr at tilt grain boundaries in Fe–Cr alloys: A Metropolis Monte Carlo study

Terentyev

Журкин

et al. 2011

Journal of Nuclear Materials

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“…3. Усред-ненные значения немонотонно зависят от расстояния X, что отмечалось ранее в [28,29] при анализе деформации вблизи ГЗ в ОЦК-металлах. Точка X = 0 соответствует геометрическому положению центра границы.…”

Section: ин карькин ле карькина па коржавый юн горностыревunclassified

Моделирование методом Монте-Карло кинетики распада и образования выделений на границах зерен общего типа в разбавленных ОЦК-сплавах Fe-Сu

Карькин¹,

Карькина²,

Коржавый³

et al. 2017

Физика Твердого Тела

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Кинетика распада в поликристаллическом сплаве Fe−Cu и формирование выделений на границах зерен (ГЗ) исследованы теоретически с использованием атомистического моделирования на различных временных масштабах: методом Монте-Карло, реализующим диффузионное перераспределение атомов Cu, и методом молекулярной динамики, обеспечивающим атомную релаксацию кристаллической решетки. Показано, что при малом размере зерна (D ∼ 10 nm) распад в объеме подавлен, а когерентно связанные с матрицей обогащенные Cu выделения преимущественно образуются на ГЗ. Размер и состав выделений существенно зависят от типа ГЗ: мелкие выделения (1.2−1.4 nm) имеют средний состав Fe−40 at.% Cu и образуются вблизи малоугловых границ зерен, более крупные выделения размером до 4 nm со средним составом Fe−60 at% Cu формируются вблизи границ зерен общего типа и тройных узлов.Работа выполнена при финансовой поддержке Российского научного фонда (грант № 14-12-00673).

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Structure and strength of 〈110〉 tilt grain boundaries in bcc Fe: An atomistic study

Cited by 61 publications

References 17 publications

Grain-size dependent mechanical behavior of nanocrystalline metals

Grain-size dependent mechanical behavior of nanocrystalline metals

Segregation of Cr at tilt grain boundaries in Fe–Cr alloys: A Metropolis Monte Carlo study

Моделирование методом Монте-Карло кинетики распада и образования выделений на границах зерен общего типа в разбавленных ОЦК-сплавах Fe-Сu

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