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Phys. Rev. Lett. 99, 025501 (2007) [4 pages]

Molecular Dynamics Simulation of Ga Penetration along Grain Boundaries in Al: A Dislocation Climb Mechanism

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Ho-Seok Nam1,* and David J. Srolovitz1,2
1Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544, USA
2Department of Physics, Yeshiva University, New York, New York 10033, USA

Received 16 February 2007; published 13 July 2007

Many systems where a liquid metal is in contact with a polycrystalline solid exhibit deep liquid grooves where the grain boundary meets the solid-liquid interface. For example, liquid Ga quickly penetrates deep into grain boundaries in Al, leading to intergranular fracture under very small stresses. We report on a series of molecular dynamics simulations of liquid Ga in contact with an Al bicrystal. We identify the mechanism for liquid metal embrittlement, develop a new model for it, and show that is in excellent agreement with both simulation and experimental data.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.99.025501
DOI:
10.1103/PhysRevLett.99.025501
PACS:
62.20.Mk, 68.08.De, 81.40.Np

*hnam@princeton.edu