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Effect of phase interface atomic coherency on dynamics of dislocations

  • Article
  • Focus Issue: Multiscale Materials Modeling of Interface-mediated Thermomechanical Behavior
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Abstract

Coarse-grained atomistic simulations are conducted to study the effect of phase interface atomic coherency on the dynamics of dislocations in both metallic and non-metallic multilayers under compression. Results show that the Cu/Ni bimaterial with a coherent interface has a yield point of almost twice higher than the one with a semi-coherent interface. An increased number of semi-coherent interfaces provides richer sources for dislocation nucleation, giving rise to a lower yield point. The intersection of the deposited dislocations is shown as an effective facilitator of dislocation transmission and emission across the semi-coherent interfaces. In contrast to Cu/Ni, the Si/Ge bimaterial with coherent and semi-coherent interfaces exhibit yield strengths of only a 13% discrepancy. The dramatic difference is shown to be determined by the disparate deformation mechanisms of the interface dislocations.

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Data Availability

Simulation data will be made available on reasonable request.

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Acknowledgments

The author acknowledges partial project support from the NSF EPSCoR-Louisiana Materials Design Alliance (LAMDA) program (Grant Number #OIA-1946231), and the seed Grants provided by the Louisiana State Board of Regents under contract numbers NSF(2019)-CIMMSeed-29, NSF(2020)-CIMMSeed-35 and NSF(2020)-CIMMSeed-36. The use of the high-performance computing resources provided by the Louisiana Optical Network Infrastructure (LONI) is gratefully acknowledged. The author also thanks Dr. Liming Xiong for sharing the new version of the CAC package developed at the Iowa State University, and Thanh Phan for helpful discussion on the code development.

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Authors and Affiliations

  1. Department of Mechanical Engineering, Louisiana Tech University, Ruston, LA, 71270, USA

    Xiang Chen

  2. Institute for Micromanufacturing, Louisiana Tech University, Ruston, LA, 71270, USA

    Xiang Chen

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  1. Xiang Chen
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Correspondence to Xiang Chen.

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Chen, X. Effect of phase interface atomic coherency on dynamics of dislocations. Journal of Materials Research 36, 2792–2801 (2021). https://doi.org/10.1557/s43578-021-00215-4

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