Small-Angle Twist Grain Boundaries as Sinks for Point Defects

Jiang, Hao; Szlufarska, Izabela

doi:10.1038/s41598-018-21433-7

Small-Angle Twist Grain Boundaries as Sinks for Point Defects

Journal Article · Tue Feb 27 00:00:00 EST 2018 · Scientific Reports

DOI:https://doi.org/10.1038/s41598-018-21433-7· OSTI ID:1500100

Jiang, Hao ^[1]; Szlufarska, Izabela ^[2]

Univ. of Wisconsin, Madison, WI (United States); OSTI
Univ. of Wisconsin, Madison, WI (United States)

It is known that grain boundaries (GBs) provide sinks for defects induced into a solid by irradiation. At the same time radiation can change the atomic structure and chemistry of GBs, which in turn impacts the ability of GBs to continue absorbing defects. Although a number of studies have been reported for tilt GBs acting as defect sinks, the questions of how twist GBs evolve to absorb non-equilibrium concentrations of defects and whether GBs saturate as defect sinks for typical irradiation conditions have remained largely unanswered. Here, we used a combination of molecular dynamics and grand canonical Monte Carlo simulations to determine how twist GBs accommodate point defects. We used SiC and {001} and {111} twist GBs as model systems. We found that diffusion of defects along GBs in this material is slow and for most experimentally relevant conditions point defects will accumulate at twist GBs, driving structural and chemical evolution of these interfaces. During irradiation, screw dislocations within GB planes absorb interstitials by developing mixed dislocation segments that climb. Formation of mixed dislocations occurs either by nucleation of interstitial loops or by faulting/unfaulting of stacking faults. Furthermore both types of twist GBs can accommodate a high density of interstitials without losing the crystalline structure, irrespectively of the interstitial flux.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Wisconsin, Madison, WI (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-08ER46493

OSTI ID:: 1500100

Journal Information:: Scientific Reports, Journal Name: Scientific Reports Journal Issue: 1 Vol. 8; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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