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Atomistic simulation of crack propagation in single crystal tungsten under cyclic loading

Published online by Cambridge University Press:  17 April 2017

Xin-Tong Shu ,
Shi-fang Xiao ,
Hui-qiu Deng ,
Lei Ma  and
Wangyu Hu
Xin-Tong Shu
Affiliation:
College of Materials Science and Engineering, Hunan University, Changsha 410082, China
Shi-fang Xiao*
Affiliation:
Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, China
Hui-qiu Deng
Affiliation:
Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, China
Lei Ma
Affiliation:
College of Physics and Electronic Science, Hunan University of Arts and Science, Changde 415000, China
Wangyu Hu*
Affiliation:
College of Materials Science and Engineering, Hunan University, Changsha 410082, China
*
a) Address all correspondence to these authors. e-mail: shifangxiao@hnu.edu.cn
b) e-mail: wyuhu@hnu.edu.cn
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Abstract

The propagation of a pre-existing center crack in single crystal tungsten under cyclic loading was examined by molecular dynamics (MD) simulations at various temperatures. The results indicated that the deformation mechanism and fracture behavior at crack tip were differences for variously oriented cracks. The [001](010) crack propagated as the form of the formation of slip, while the deformation mechanisms of [10−1](101) crack were blunting voids at 300 K. At higher temperature, many more slip systems were activated resulting in the change of mode of crack propagation. Simulated results showed that the effect of temperature on deformation mechanism and fracture behavior of [001](010) crack was more sensitive than that of [10−1](101) crack. Meanwhile, the influence of a 5〈310〉{110} model grain boundary (GB) on crack propagation was also discussed. Detailed analysis showed that the grain boundary resisted the crack growth by changing the deformation mechanisms and the path of crack propagation at crack tip before the crack reached the grain boundary, and had an important influence on the crack growth rate.

Keywords

molecular dynamicstungstenfatigue fracturetemperatureGB
Type
Articles
Information
Journal of Materials Research , Volume 32 , Issue 8 , 28 April 2017 , pp. 1474 - 1483
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Copyright
Copyright © Materials Research Society 2017 

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Footnotes

Contributing Editor: Susan B. Sinnott

References

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