Crack nucleation at the symmetrical tilt grain boundary in tungsten

Cheng, Y.; Mrovec, Matous; Gumbsch, Peter

doi:10.1016/j.msea.2006.10.198

Cited by 18 publications

(5 citation statements)

References 10 publications

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“…The length of the cracks did never exceed the length of the boundaries. Direct evidence that a crack is nucleated at the absorption site of a dislocation in a grain boundary, which has been reported previously [23], was not found in our simulations.…”

Section: Region III (> 5% Compressive Strain)contrasting

confidence: 50%

Accommodation processes during deformation of nanocrystalline palladium

Bachurin

Gumbsch

2010

Acta Materialia

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Section: Region III (> 5% Compressive Strain)contrasting

confidence: 50%

Accommodation processes during deformation of nanocrystalline palladium

Bachurin

Gumbsch

2010

Acta Materialia

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“…Although many scenarios for the nucleation of cracks have been inferred or postulated in the literature (Lawn 1993;Lehmann et al 2003) and crack nucleation is an inherently atomistic process, only relatively few studies actually try to model the crack nucleation process, mostly at GBs (Dewald and Curtin 2007;Wu et al 2007;Cheng et al 2008;Pan and Rupert 2014). In particular at the microscale, many structures can nowadays be fabricated with nearly no pre-existing crack-like defects or stress-concentrators.…”

Section: Crack Nucleationmentioning

confidence: 99%

Atomistic aspects of fracture

2015

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Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic scale therefore critically influence the toughness and overall fracture behavior of materials. Atomistic simulation methods including large-scale molecular dynamics simulations with classical potentials, density functional theory calculations and advanced concurrent multiscale methods have led to new insights e.g. on the role of bond trapping, dynamic effects, crack-microstructure interactions and chemical aspects on the fracture toughness and crack propagation patterns in metals and ceramics. This review focuses on atomistic aspects of fracture in crystalline materials where significant advances have been achieved over the last ten years and provides an outlook on future perspectives for atomistic modelling of fracture

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“…Consequently, studies of large and complex systems typically require approximations and significant simplifications when describing interatomic interactions. In large-scale atomistic studies of metallic materials the Finnis-Sinclair (FS) potential [20] has been one of the most broadly used methods describing the interatomic forces [21][22][23]. This central-force many-body potential is able to describe well simple and noble metals, in which the bonding is almost nearly free-electron-like.…”

Section: Introductionmentioning

confidence: 99%

Dislocation–vacancy interactions in tungsten

Chen

Mrovec

Gumbsch

2011

Modelling Simul. Mater. Sci. Eng.

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We systematically investigate the interaction between a monovacancy and various lattice dislocations in body-centered cubic (bcc) metal tungsten by means of atomistic simulations. Two models with a different level of sophistication have been employed for the description of interatomic interactions-the empirical Finnis-Sinclair potential, which is a central-force scheme, and the bond-order potential, which is able to describe correctly unsaturated directional covalent bonds that are crucial for the cohesion and structure of bcc transition metals. Our simulation results show that the vacancydislocation interaction depends sensitively on the separation distance and orientation of the two defects. A comparison of the simulation results with the predictions of elasticity theory shows excellent agreement between the two approaches when the separation between the vacancy and the dislocation core is above 0.5 nm. Large deviations from the elastic limit are found at close distances, when the vacancy enters the dislocation core.

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Crack nucleation at the symmetrical tilt grain boundary in tungsten

Cited by 18 publications

References 10 publications

Accommodation processes during deformation of nanocrystalline palladium

Accommodation processes during deformation of nanocrystalline palladium

Atomistic aspects of fracture

Dislocation–vacancy interactions in tungsten

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