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Multiscale Simulation of Precipitation in Copper-Alloyed Pipeline Steels and in Cu-Ni-Si Alloys

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Handbook of Mechanics of Materials

Abstract

In crystalline solids, the formation of precipitates is caused by the clustering of individual solute atoms dissolved in the matrix. This can happen, if the formation of clusters is energetically favorable relative to the dissolved state of atoms randomly distributed within the matrix. The clustering is driven by the stochastic process of diffusion and depending on diffusion speed, solute concentration, and mixing energies, atom clusters will form and grow, shrink or reach an equilibrium state after a long time of diffusion. As the presence of precipitates can greatly alter the mechanical properties of materials, the simulation of this nanoscopic process starting from the alloy composition up to the final distribution of precipitate numbers and sizes is key for computational design of alloys with desired mechanical properties. For achieving this, the atomistic kinetic Monte Carlo (AKMC) simulation method is used to mimic the stochastical diffusion process. For later stages of precipitation involving bigger clusters, the continuum phase-field method (PFM) can be used to accelerate the simulation. In this chapter, we will present two successful examples for the simulation of precipitation: One coupled approach of AKMC and PFM that was used for predicting the precipitation in copper-alloyed iron and another example of AKMC in the multicomponent Cu-Ni-Si system.

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Acknowledgments

Support from the DFG through Collaborative Research Centre SFB 716, Project B.2 is gratefully acknowledged. The detailed description of each example in the chapter is reproduced from recently published works of the authors with kind support of the involved publishing company John Wiley & Sons, Inc. The original sources are Molnar et al. [1] and Sajadi et al. [2].

Author information

Authors and Affiliations

  1. Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre (IMWF), University of Stuttgart, Stuttgart, Germany

    Seyedsaeid Sajadi, David Molnar & Alejandro Mora

  2. Materials Testing Institute University of Stuttgart (MPA Stuttgart, Otto-Graf-Institut (FMPA)), Stuttgart, Germany

    Ulrich Weber

  3. Wieland-Werke AG, Ulm, Germany

    Joerg Seeger

  4. Institute for Materials Testing, Materials Science and Strength of Materials (IMWF), University of Stuttgart, Stuttgart, Germany

    Dennis Rapp, Peter Binkele, Stephen Hocker & Siegfried Schmauder

Authors
  1. Dennis Rapp
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  2. Seyedsaeid Sajadi
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  3. David Molnar
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  4. Peter Binkele
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  5. Ulrich Weber
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  6. Stephen Hocker
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  7. Alejandro Mora
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  8. Joerg Seeger
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  9. Siegfried Schmauder
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Corresponding author

Correspondence to Dennis Rapp .

Editor information

Editors and Affiliations

  1. Institute for Materials Testing, Materials Science and Strength of Materials, University of Stuttgart, Stuttgart, Germany

    Siegfried Schmauder

  2. Department of Civil Engineering, National Taiwan University, Taipei, Taiwan

    Chuin-Shan Chen

  3. UAB Mail BEC 254, Birmingham, AL, USA

    Krishan K. Chawla

  4. Fulton School of Engineering, Arizona State University , Tempe, AZ, USA

    Nikhilesh Chawla

  5. Engineering Mechanics, Zhejiang University , Hangzhou, China

    Weiqiu Chen

  6. Katayanagi Advanced Research Laboratories, Tokyo University of Technology, Tokyo, Japan

    Yutaka Kagawa

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© 2019 Springer Nature Singapore Pte Ltd.

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Rapp, D. et al. (2019). Multiscale Simulation of Precipitation in Copper-Alloyed Pipeline Steels and in Cu-Ni-Si Alloys. In: Schmauder, S., Chen, CS., Chawla, K., Chawla, N., Chen, W., Kagawa, Y. (eds) Handbook of Mechanics of Materials. Springer, Singapore. https://doi.org/10.1007/978-981-10-6884-3_10

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