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Solute misfit and solute interaction effects on strengthening: A case study in AuNi

Binglun Yin1*, Linhan Li1, Sophie Drescher2, Sascha Seils3,4, Shankha Nag5,6, 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


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.

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806 Bytes README
26.4 MiB DFT calculations of the bulk structure in random AuNi alloy.
27.3 MiB DFT calculations of the slip process in random AuNi alloy.


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External references

Journal reference (Paper where the data is discussed.)


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

Version history:

2023.188 (version v1) [This version] Dec 01, 2023 DOI10.24435/materialscloud:tn-jh