Embrittlement of Metal by Solute Segregation-Induced Amorphization
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Author
Chen, Hsiu-Pin
Kalia, Rajiv K.
Lu, Gang
Nakano, Aiichiro
Nomura, Ken-ichi
van Duin, Adri C. T.
Vashishta, Priya
Yuan, Zaoshi
Published Version
https://doi.org/10.1103/PhysRevLett.104.155502Metadata
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Chen, Hsiu-Pin, Rajiv K. Kalia, Efthimios Kaxiras, Gang Lu, Aiichiro Nakano, Ken-ichi Nomura, Adri C. T. van Duin, Priya Vashishta, and Zaoshi Yuan. 2010. "Embrittlement of Metal by Solute Segregation-Induced Amorphization." Physical Review Letters 104 (15): 155502.Abstract
Impurities segregated to grain boundaries of a material essentially alter its fracture behavior. A prime example is sulfur segregation-induced embrittlement of nickel, where an observed relation between sulfur-induced amorphization of grain boundaries and embrittlement remains unexplained. Here, \(48×10^6\)-atom reactive-force-field molecular dynamics simulations provide the missing link. Namely, an order-of-magnitude reduction of grain-boundary shear strength due to amorphization, combined with tensile-strength reduction, allows the crack tip to always find an easy propagation path.Terms of Use
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