An atomistic insight into the fracture behavior of bicrystal aluminum containing twist grain boundaries

Chandra, S.; Kumar, Naveen; Samal, M. K.; Chavan, Vivek; Raghunathan, S.

doi:10.1016/j.commatsci.2017.01.023

Cited by 27 publications

(11 citation statements)

References 84 publications

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“…Figure 8). Chandra et al also found that twist GBs offered significant resistance to transgranular crack growth, confirming the understanding that twist GBs are more resistant to such crack growth as compared to tilt GBs [51].…”

Section: Predicting Transmission Eventsmentioning

confidence: 80%

“…In Figure 8, the frequency of transmission for each GB is plotted against the attributes considered in an effort to elucidate relationships that might correlate with transmission. Tilt and twist GBs have been shown to affect the dislocation-GB interaction differently [20,51], therefore the relationships are plotted for the two types in separate graphs. The size of each of the markers is proportional to the number of interactions used to calculate the frequency of transmission for that GB.…”

Section: Frequency Of Transmissionmentioning

confidence: 99%

“…Twist GBs reflected dislocations more often than tilt GBs (25% vs 19%) and transmitted less than tilt GBs (42% vs 47%). This difference could be due to the orthogonal network of dislocations found within the twist GBs which are more dense and could offer a more significant physical barrier to transmission than the linear array of dislocations present in tilt GBs [51,54]. Furthermore, the propensity to reflect increases slightly as the disorientation angle between the two grains increases.…”

Section: Predicting Transmission Eventsmentioning

confidence: 99%

See 2 more Smart Citations

Atomistic survey of grain boundary-dislocation interactions in FCC nickel

Adams

Fullwood

Wagoner

et al. 2019

Computational Materials Science

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It is well known that grain boundaries (GBs) have a strong influence on mechanical properties of polycrystalline materials. Not as well-known is how different GBs interact with dislocations to influence dislocation movement. This work presents a molecular dynamics study of 33 different FCC Ni bicrystals, each subjected to four different strain states to induce incident dislocation-GB interactions for 132 unique configurations. The resulting simulations are analyzed to determine properties of the interaction that affect the likelihood of transmission of the dislocation through the GB in an effort to better inform mesoscale models of dislocation movement within polycrystals. It is found that the ability to predict the slip system of a transmitted dislocation using common geometric criteria is confirmed. Furthermore, machine learning processes are implemented revealing that geometric properties, such as the minimum potential residual Burgers vector (RBV) and the disorientation between the two grains, are stronger indicators of whether or not a dislocation would transmit than other properties, such as the resolved shear stress.

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Section: Predicting Transmission Eventsmentioning

confidence: 80%

Section: Frequency Of Transmissionmentioning

confidence: 99%

Section: Predicting Transmission Eventsmentioning

confidence: 99%

See 1 more Smart Citation

Atomistic survey of grain boundary-dislocation interactions in FCC nickel

Adams

Fullwood

Wagoner

et al. 2019

Computational Materials Science

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“…The embedded atom method (EAM) proposed by Mendelev et al [ 35 ] is implemented in order to study the fracture process. EAM potential has been used to investigate crack propagation in Al crystals by several authors [ 21 , 30 , 36 , 37 , 38 , 39 , 40 , 41 , 42 ]. All simulations are carried out at 300 K and 1.01 bar using a Nose/Hoover thermostat and barostat.…”

Section: Methodsmentioning

confidence: 99%

Fracture Toughness Estimation of Single-Crystal Aluminum at Nanoscale

et al. 2021

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In this publication, molecular dynamics simulations are used to investigate the fracture behavior of single-crystal aluminum. The stress intensity factor is estimated by means of four different methods, the accuracy is assessed for each approach and the fracture toughness is estimated. The proposed methodology is also applied to estimate the fracture toughness for graphene and diamond using published data from other scientific articles. The obtained fracture toughness for the single-crystal aluminum is compared with other nanomaterials that have similar microstructures. Dislocation emission during the fracture simulation of the cracked nano-crystal of aluminum is analyzed to study the fracture behavior. Brittle fracture behavior is the predominant failure mode for the nanomaterials studied in this research.

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“…Recently, the development of atomistic models based on molecular dynamics simulations made possible to investigate the mechanical behavior of nanocrystals for a few materials, such as aluminum (Al) [1][2][3][4][5][6][7]. The first analyses were performed to investigate tensile mechanical properties, viz., ultimate tensile strength (S U ) and young's module (E) [8][9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

Crack Length Effect on the Fracture Behavior of Single-Crystals and Bi-Crystals of Aluminum

Díaz

Zambrano

2021

Nanomaterials

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Molecular dynamics simulations of cracked nanocrystals of aluminum were performed in order to investigate the crack length and grain boundary effects. Atomistic models of single-crystals and bi-crystals were built considering 11 different crack lengths. Novel approaches based on fracture mechanics concepts were proposed to predict the crack length effect on single-crystals and bi-crystals. The results showed that the effect of the grain boundary on the fracture resistance was beneficial increasing the fracture toughness almost four times for bi-crystals.

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An atomistic insight into the fracture behavior of bicrystal aluminum containing twist grain boundaries

Cited by 27 publications

References 84 publications

Atomistic survey of grain boundary-dislocation interactions in FCC nickel

Atomistic survey of grain boundary-dislocation interactions in FCC nickel

Fracture Toughness Estimation of Single-Crystal Aluminum at Nanoscale

Crack Length Effect on the Fracture Behavior of Single-Crystals and Bi-Crystals of Aluminum

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