Atom probe informed simulations of dislocation-precipitate interactions reveal the importance of local interface curvature

Prakash A, Guenole J, Wang J, Müller J, Spiecker E, Mills MJ, Povstugar I, Choi P, Raabe D, Bitzek E (2015)

Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2015

Journal

Acta Materialia Elsevier

Publisher: Elsevier

Book Volume: 92

Pages Range: 33-45

DOI: 10.1016/j.actamat.2015.03.050

Abstract

The interaction of dislocations with precipitates is an essential strengthening mechanism in metals, as exemplified by the superior high-temperature strength of Ni-base superalloys. Here we use atomistic simulation samples generated from atom probe tomography data of a single crystal superalloy to study the interactions of matrix dislocations with a γ′ precipitate in molecular dynamics simulations. It is shown that the precipitate morphology, in particular its local curvature, and the local chemical composition significantly alter both, the misfit dislocation network which forms at the precipitate interface, and the core structure of the misfit dislocations. Simulated tensile tests reveal the atomic scale details of many experimentally observed dislocation-precipitate interaction mechanisms, which cannot be reproduced by idealized simulation setups with planar interfaces. We thus demonstrate the need to include interface curvature in the study of semicoherent precipitates and introduce as an enabling method atom probe tomography-informed atomistic simulations.

Authors with CRIS profile

Aruna Prakash Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften) Julien Guenole Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften) Erdmann Spiecker Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Erik Bitzek Professur für Datenbasierte Materialmodellierung

Additional Organisation(s)

Sonderforschungsbereich/Transregio 103 Vom Atom zur Turbinenschaufel C03 Atomistische Simulation elementarer Versetzungsprozesse Sonderforschungsbereich/Transregio 103 Vom Atom zur Turbinenschaufel A07 Analyse der atomaren Struktur von Defekten und Grenzflächen Interdisziplinäres Zentrum, Center for Nanoanalysis and Electron Microscopy (CENEM) Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung)

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

Max-Planck-Institut für Eisenforschung GmbH (MPIE) / Max Planck Institute for Iron Research DE Germany (DE) Ohio State University US United States (USA) (US)

How to cite

APA:

Prakash, A., Guenole, J., Wang, J., Müller, J., Spiecker, E., Mills, M.J.,... Bitzek, E. (2015). Atom probe informed simulations of dislocation-precipitate interactions reveal the importance of local interface curvature. Acta Materialia, 92, 33-45. https://dx.doi.org/10.1016/j.actamat.2015.03.050

MLA:

Prakash, Aruna, et al. "Atom probe informed simulations of dislocation-precipitate interactions reveal the importance of local interface curvature." Acta Materialia 92 (2015): 33-45.

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