Embrittlement of Metal by Solute Segregation-Induced Amorphization
Kalia, Rajiv K.
van Duin, Adri C. T.
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CitationChen, 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.
AbstractImpurities 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.
Citable link to this pagehttp://nrs.harvard.edu/urn-3:HUL.InstRepos:13479081
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