Understanding and predicting damage and failure at grain boundaries in BCC Ta

Chen, J.; Hahn, E. N.; Dongare, A. M.; Fensin, S. J.

doi:10.1063/1.5111837

Title: Understanding and predicting damage and failure at grain boundaries in BCC Ta

Journal Article · Tue Oct 22 00:00:00 EDT 2019 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5111837· OSTI ID:1571341

;

; Dongare, A. M.;

Understanding the effect of grain boundaries (GBs) on the deformation and spall behavior is critical to designing materials with tailored failure responses under dynamic loading. This understanding is hampered by the lack of in situ imaging capability with the optimum spatial and temporal resolution during dynamic experiments, as well as by the scarcity of a systematic data set that correlates boundary structure to failure, especially in BCC metals. To fill in this gap in the current understanding, molecular dynamics simulations are performed on a set of 74 bi-crystals in Ta with a [110] symmetric tilt axis. Our results show a correlation between GB misorientation angle and spall strength and also highlight the importance of GB structure itself in determining the spall strength. Specifically, we find a direct correlation between the ability of the GB to plasticity deform through slip/twinning and its spall strength. Additionally, a change in the deformation mechanism from dislocation-meditated to twinning-dominated plasticity is observed as a function of misorientation angles, which results in lowered spall strengths for high-angle GBs.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: LDRD-2017033DR

OSTI ID:: 1571341

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Vol. 126 Journal Issue: 16; ISSN 0021-8979

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 35 works

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