Atomistic Simulations of Compression Tests on gamma-Precipitate Containing Ni3Al Nanocubes

Houlle F, Walsh F, Prakash A, Bitzek E (2018)


Publication Language: English

Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2018

Journal

Publisher: SPRINGER

Book Volume: 49A

Pages Range: 4158-4166

Journal Issue: 9

DOI: 10.1007/s11661-018-4706-0

Abstract

The influence of gamma precipitates on the deformation behavior of gamma' Ni3Al nanocubes with {100} side surfaces is investigated by molecular dynamics simulations of uniaxial compression tests at 300 K. The plastic deformation of the nanocubes is caused by the nucleation of Shockley partial dislocations near the cube corners followed by the formation of pseudo-twins. While the dominant deformation mechanisms and the flow stress are not affected by the presence of precipitates, the precipitates reduce the yield stress by up to 10 pct and determine the location of dislocation nucleation. These findings can be rationalized by accounting for the misfit stresses caused by the presence of the gamma precipitates. Within the simulated ranges, the results are independent of cube size, rounding of the cube or precipitate corners, surface roughness, and strain rate. The observed precipitate softening in the dislocation-nucleation-controlled deformation of gamma' NiAl nanocubes is in stark contrast to the strengthening effect caused by the presence of a gamma phase in the gamma' precipitates in the microstructure of typical Ni- and Co-based superalloys.

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APA:

Houlle, F., Walsh, F., Prakash, A., & Bitzek, E. (2018). Atomistic Simulations of Compression Tests on gamma-Precipitate Containing Ni3Al Nanocubes. Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science, 49A(9), 4158-4166. https://dx.doi.org/10.1007/s11661-018-4706-0

MLA:

Houlle, Frederic, et al. "Atomistic Simulations of Compression Tests on gamma-Precipitate Containing Ni3Al Nanocubes." Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science 49A.9 (2018): 4158-4166.

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