Binglun Yin^1*, Linhan Li¹, Sophie Drescher², Sascha Seils^3,4, Shankha Nag^5,6, Jens Freudenberger², William Curtin⁷

1 Institute of Applied Mechanics and Center for X-Mechanics, Zhejiang University, 310027 Hangzhou, China

2 Leibniz Institute for Solid State and Materials Research, 01069 Dresden, Germany

3 Institute for Applied Materials (IAM-WK), Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe, Germany

4 Karlsruhe Nano Micro Facility (KNMFi), Karlsruhe Institute of Technology (KIT), 76344 Eggenstein-Leopoldshafen, Germany

5 Laboratory for Multiscale Mechanics Modeling (LAMMM), École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

6 Institute for Materials Science, Technical University of Darmstadt, 64287 Darmstadt, Germany

7 Laboratory for Multiscale Mechanics Modeling (LAMMM), École Polytechnique Fédérale de Lausanne (EPFL), 1015 Lausanne, Switzerland

* Corresponding authors emails: binglun.yin@zju.edu.cn

DOI10.24435/materialscloud:tn-jh [version v1]

Publication date: Dec 01, 2023

How to cite this record

Binglun Yin, Linhan Li, Sophie Drescher, Sascha Seils, Shankha Nag, Jens Freudenberger, William Curtin, Solute misfit and solute interaction effects on strengthening: A case study in AuNi, Materials Cloud Archive 2023.188 (2023), https://doi.org/10.24435/materialscloud:tn-jh

Description

AuNi is a classic long-studied fcc alloy combining a very “large” atom (Au) and a very “small” atom (Ni), and the large atomic size misfits suggest very high strengthening. Here, AuNi is used as a model alloy for the testing of new strengthening theories in random alloys that include the effects of both size misfits and solute–solute interactions. Experimentally, AuNi samples are fabricated, characterized, and tested, and show no segregation after annealing at 900 °C and a very high yield strength of 769 MPa. Theoretically, the main inputs to the theory (alloy lattice and elastic constants, solute misfit volumes, energy fluctuations associated with slip in the presence of solute–solute interactions) are extracted from experiments or computed using first-principles DFT. The parameter-free prediction of the yield strength is 809 MPa, in very good agreement with experiments. Solute–solute interactions enhance the strength only moderately (13%), demonstrating that the strengthening is dominated by the solute misfit contribution. Various aspects of the full theory are discussed, the general methodology is presented in an easy-to-apply analytic framework, and a new analysis for strengthening in alloys with zero misfits but non-zero solute–solute interactions is presented. These results provide support for the theories and point toward applications to many fcc complex concentrated alloys.

Materials Cloud sections using this data

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File name	Size	Description
README.txt MD5md5:d7eaa76469ac433fdeb93ffe6deaf709	806 Bytes	README
20220815_AuNi_NNP_111_o_422_96atoms_90s_least.tar.xz MD5md5:abf751b05f89e6ed94a314741bac71df	26.4 MiB	DFT calculations of the bulk structure in random AuNi alloy.
20221127_AuNi_NNP_111_o_422_96atoms_90s_ssf_tilt_least.tar.xz MD5md5:7f497994b56f43e5587b4dfc1f5adcd6	27.3 MiB	DFT calculations of the slip process in random AuNi alloy.

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Keywords

Yield strength Solute strengthening theory Misfit volume Stacking fault energy AuNi MARVEL