Molecular dynamics simulation of the interaction of a nano-scale crack with grain boundaries in α-Fe

Kedharnath, A.; Panwar, Ajay S.; Kapoor, R.

doi:10.1016/j.commatsci.2017.05.026

Cited by 34 publications

(9 citation statements)

References 42 publications

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“…Blondé et al [14] analyzed the accumulation of lattice plane strain in grains oriented along specific {hkl} planes using in situ high-energy X-ray diffraction under uniaxial loading. They reported the gradual increasing in elastic and yield response by means of the orientation dependence as a function of interatomic distance, i.e., E (100) ≪ E (102) < E (111) < E (112) < E (110) [15].…”

Section: Introductionmentioning

confidence: 99%

EBSD study of early fractured phenomena in a 350 grade Maraging steel elbows exposed to hydrofluoric acid

Masoumi

Abreu

Herculano

et al. 2019

Engineering Failure Analysis

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Section: Introductionmentioning

confidence: 99%

EBSD study of early fractured phenomena in a 350 grade Maraging steel elbows exposed to hydrofluoric acid

Masoumi

Abreu

Herculano

et al. 2019

Engineering Failure Analysis

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“…At 0 K, velocity loading with a strain rate of 10 10 s −1 was applied on the top and bottom boundaries along the y-axis without controlling the heat generated during tensile loading. Despite the unrealistic deformation conditions, many researchers have conducted several MD tensile deformation simulations under the given conditions [ 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 ]. The timestep was set to 0.001 ps in all MD simulations.…”

Section: Molecular Dynamics (Md) Simulationmentioning

confidence: 99%

“…It is useful for interpreting phenomena that are difficult to analyze using experimental methods. Several MD simulations of crack propagation in various metals, including Al [ 21 , 22 , 23 ], Fe [ 24 ], Mg [ 25 ], Ni [ 26 ], Cu [ 21 , 27 ], Ti [ 28 ], and metal matrices with various defect conditions [ 22 , 29 , 30 , 31 ], have been performed. Despite extensive research on crack propagation in metals, the cracking mechanisms of Al matrices containing Mg–Si clusters has not yet been investigated.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Study on Crack Propagation in Al Containing Mg–Si Clusters Formed during Natural Aging

2023

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The crack propagation behavior of Al containing Mg–Si clusters is investigated using molecular dynamics (MD) simulations to demonstrate the relationship between the natural aging time in Al–Si–Mg alloys and ductility. Experimental results show that the elongation at failure decreases with natural aging. There are few studies on the relationship between natural aging and ductility because of the difficult observation of Mg–Si clusters. To solve the difficulty, cracked Al containing Mg–Si clusters of varying sizes are assumed for the MD simulations. A larger Mg–Si cluster in Al results in earlier crack opening and dislocation emission. Moreover, as the Mg–Si cluster size increases, the stress near the crack tip becomes more concentrated. This causes rapid crack propagation, a similar effect to that of crack tip sharpening. As a result of long-term natural aging, the cracks expand rapidly. The influence of geometry is also investigated. Crack lengthening and thickness reduction negatively impact the fracture toughness, with the former having a larger impact than the latter. Although there are several discrepancies in the practical deformation conditions, the simulation results can help to more thoroughly understand natural aging in Al–Si–Mg alloys.

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“…As regards interactions between various type of grain boundaries and crack-arresting performance, some studies associated with the cracking behavior under different loading conditions utilizing molecular dynamics (MD) simulation method, and the crack-arresting mechanism and corresponding fracture mechanism were quantitatively described or illuminated. [12][13][14][15][16][17][18][19][20][21] Singh et al [12] investigated the interplay of crack tips and grain boundaries with symmetric and asymmetric inclined model with…”

Section: Introductionmentioning

confidence: 99%

Atomic‐Scale Study on the Interaction Mechanism between Cracking and Typical Grain Boundaries in 15‐5 PH Stainless Steel

Jin

et al. 2023

steel research int.

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In order to illuminate the hindering effects induced by grain boundaries on the propagation behavior of crack with respect to 15‐5 PH stainless steel, interactions between propagated crack and typical grain boundaries, including the parent austenite grain boundary (PAGB), coincidence site lattice Σ3 grain boundary (CSL Σ3), packet grain boundary (PGB), and block grain boundary (BGB) are investigated at the atomic scale. Results indicate that the higher stress in the crack initiation (CI) stage and crack and grain boundary interaction (CGB) stage is required to drive the propagating crack in terms of the PAGB model compared to the other models, and the longest interaction time between propagated crack and established grain boundary is needed for the crack from the crack propagation (CP) stage to the CGB stage in the case of the PGB model. The PAGB and PGB are determined to be the most effective in hindering crack propagation in 15‐5 PH stainless steel.

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Molecular dynamics simulation of the interaction of a nano-scale crack with grain boundaries in α-Fe

Cited by 34 publications

References 42 publications

EBSD study of early fractured phenomena in a 350 grade Maraging steel elbows exposed to hydrofluoric acid

EBSD study of early fractured phenomena in a 350 grade Maraging steel elbows exposed to hydrofluoric acid

Molecular Dynamics Study on Crack Propagation in Al Containing Mg–Si Clusters Formed during Natural Aging

Atomic‐Scale Study on the Interaction Mechanism between Cracking and Typical Grain Boundaries in 15‐5 PH Stainless Steel

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