Embrittlement of Metal by Solute Segregation-Induced Amorphization

被引：61

作者：

Chen, Hsiu-Pin ^{[1
,2
,3
]}

Kalia, Rajiv K. ^{[1
,2
,3
]}

Kaxiras, Efthimios ^{[4
]}

Lu, Gang ^{[5
]}

Nakano, Aiichiro ^{[1
,2
,3
]}

Nomura, Ken-ichi ^{[1
,2
,3
]}

van Duin, Adri C. T. ^{[6
]}

Vashishta, Priya ^{[1
,2
,3
]}

Yuan, Zaoshi ^{[1
,2
,3
]}

机构：

[1] Univ So Calif, Dept Phys & Astron, Los Angeles, CA 90089 USA

[2] Univ So Calif, Dept Chem Engn & Mat Sci, Los Angeles, CA 90089 USA

[3] Univ So Calif, Dept Comp Sci, Los Angeles, CA 90089 USA

[4] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA

[5] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA

[6] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 104卷 / 15期

关键词：

REACTIVE FORCE-FIELD; NICKEL; SIMULATIONS; CRYSTALS;

D O I：

10.1103/PhysRevLett.104.155502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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 x 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.

引用

页数：4

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