Atomistic Simulations of Compression Tests on Ni3Al Nanocubes

Amodeo J, Begau C, Bitzek E (2014)

Publication Status: Published

Publication Type: Journal article

Publication year: 2014

Journal

Materials Research Letters Taylor & Francis

Publisher: TAYLOR & FRANCIS INC

Book Volume: 2

Pages Range: 140-145

Journal Issue: 3

DOI: 10.1080/21663831.2013.878884

Abstract

The deformation behaviour of nano-sized Ni3Al cubes with {100} side surfaces is investigated under uniaxial compression using constant-temperature molecular dynamics simulations at 300 K. The simulations reproduce key features of recently performed nanocompression experiments, namely the lack of strain hardening, homogeneous deformation of the entire sample and overall high stress levels of the order of 3-5 GPa. According to the simulations, the critical initial step is the formation of a pseudo-twin structure, which then further deforms by Shockley partial dislocations. These deformation mechanisms differ significantly from bulk Ni3Al and are rationalized in terms of generalized stacking fault energies and resolved shear stresses.

Authors with CRIS profile

Jonathan Amodeo Sonderforschungsbereich/Transregio 103 Vom Atom zur Turbinenschaufel - wissenschaftliche Grundlagen für eine neue Generation einkristalliner Superlegierungen Erik Bitzek Professur für Datenbasierte Materialmodellierung

Additional Organisation(s)

Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften)

Related research project(s)

Atomistic simulations of elementary dislocation processes in coherent and semi-coherent y/y'-microstructures (C03) (SFB/TRR 103) TRR 103: Vom Atom zur Turbinenschaufel - wissenschaftliche Grundlagen für eine neue Generation einkristalliner Superlegierungen Jan. 1, 2012 - Dec. 31, 2019

Involved external institutions

Ruhr-Universität Bochum (RUB) DE Germany (DE)

How to cite

APA:

Amodeo, J., Begau, C., & Bitzek, E. (2014). Atomistic Simulations of Compression Tests on Ni3Al Nanocubes. Materials Research Letters, 2(3), 140-145. https://dx.doi.org/10.1080/21663831.2013.878884

MLA:

Amodeo, Jonathan, C. Begau, and Erik Bitzek. "Atomistic Simulations of Compression Tests on Ni3Al Nanocubes." Materials Research Letters 2.3 (2014): 140-145.

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