Embrittlement of metal by solute segregation-induced amorphization

Hsiu Pin Chen; Rajiv K. Kalia; Efthimios Kaxiras; Gang Lu; Aiichiro Nakano; Ken Ichi Nomura; Adri C.T. Van Duin; Priya Vashishta; Zaoshi Yuan

doi:10.1103/PhysRevLett.104.155502

Embrittlement of metal by solute segregation-induced amorphization

Hsiu Pin Chen, Rajiv K. Kalia, Efthimios Kaxiras, Gang Lu, Aiichiro Nakano, Ken Ichi Nomura, Adri C.T. Van Duin, Priya Vashishta, Zaoshi Yuan

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68 Scopus citations

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, 48×106-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.

Original language	English (US)
Article number	155502
Journal	Physical review letters
Volume	104
Issue number	15
DOIs	https://doi.org/10.1103/PhysRevLett.104.155502
State	Published - Apr 16 2010

All Science Journal Classification (ASJC) codes

General Physics and Astronomy

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10.1103/PhysRevLett.104.155502

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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, 48×106-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.",

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AU - Lu, Gang

AU - Nakano, Aiichiro

AU - Nomura, Ken Ichi

AU - Van Duin, Adri C.T.

AU - Vashishta, Priya

AU - Yuan, Zaoshi

PY - 2010/4/16

Y1 - 2010/4/16

N2 - 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, 48×106-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.

AB - 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, 48×106-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.

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Embrittlement of metal by solute segregation-induced amorphization

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