Atomistic modeling of Mg/Nb interfaces: shear strength and interaction with lattice glide dislocations

Yadav, Satyesh Kumar; Shao, S.; Chen, Youxing; Wang, J.; Liu, Xiang -Yang

doi:10.1007/s10853-017-1703-4

Atomistic modeling of Mg/Nb interfaces: shear strength and interaction with lattice glide dislocations

Journal Article · Tue Oct 17 00:00:00 EDT 2017 · Journal of Materials Science

DOI:https://doi.org/10.1007/s10853-017-1703-4· OSTI ID:1408833

^[1]; Shao, S. ^[2]; ^[3]; Wang, J. ^[4]; ^[3]

Indian Institute of Technology (IIT), Chennai (India); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Louisiana State Univ., Baton Rouge, LA (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of Nebraska-Lincoln, Lincoln, NE (United States)

Here, using a newly developed embedded-atom-method potential for Mg–Nb, the semi-coherent Mg/Nb interface with the Kurdjumov–Sachs orientation relationship is studied. Atomistic simulations have been carried out to understand the shear strength of the interface, as well as the interaction between lattice glide dislocations and the interface. The interface shear mechanisms are dependent on the shear loading directions, through either interface sliding between Mg and Nb atomic layers or nucleation and gliding of Shockley partial dislocations in between the first two atomic planes in Mg at the interface. The shear strength for the Mg/Nb interface is found to be generally high, in the range of 0.9–1.3 GPa depending on the shear direction. As a consequence, the extents of dislocation core spread into the interface are considerably small, especially when compared to the case of other “weak” interfaces such as the Cu/Nb interface.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1408833

Report Number(s):: LA-UR-16-28211

Journal Information:: Journal of Materials Science, Journal Name: Journal of Materials Science Journal Issue: 8 Vol. 53; ISSN 0022-2461

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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Understanding mechanical behavior of interfaces in materials Dongare, Avinash M.; Rajendran, Arunachalam M.; Namburu, Raju Journal of Materials Science, Vol. 53, Issue 8 https://doi.org/10.1007/s10853-018-2030-0	journal	January 2018
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