Direct comparison between experiments and dislocation dynamics simulations of high rate deformation of single crystal copper

Akhondzadeh, Sh; Kang, Minju; Sills, Ryan B.; Ramesh, K. T.; Cai, Wei

doi:10.1016/j.actamat.2023.118851

Direct comparison between experiments and dislocation dynamics simulations of high rate deformation of single crystal copper

Journal Article · Mon Mar 13 00:00:00 EDT 2023 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2023.118851· OSTI ID:2420030

Akhondzadeh, Sh ^[1]; Kang, Minju ^[2]; ^[3]; ^[2]; ^[4]

Stanford Univ., CA (United States); OSTI
Johns Hopkins Univ., Baltimore, MD (United States)
Rutgers Univ., Piscataway, NJ (United States)
Stanford Univ., CA (United States)

A long standing challenge in computational materials science is to establish a quantitative connection between the macroscopic properties of plastic deformation with the microscopic mechanisms of dislocations in crystalline materials. Although the discrete dislocation dynamics (DDD) simulation method has been developed for several decades with the goal of addressing this challenge, a one-to-one comparison between the DDD predictions on single crystal stress–strain curves and experimental measurements under identical conditions has not been possible to date. Such a comparison is an essential step towards establishing a dislocation-physics based theory of plasticity and a multiscale framework of the plastic behaviors of crystalline materials. Here we provide direct comparisons between the stress–strain curves of Cu single crystals under high strain rate loading in the [0 0 1] and [0 1 1] directions obtained from miniaturized desktop Kolsky bar experiments and those from DDD simulations under identical loading conditions. With an appropriate set of parameters, DDD simulations can produce stress–strain curves that are in reasonable agreement with the experimental results. However, the dislocation mobility values needed to achieve this agreement are an order of magnitude lower than expected based on previous measurements and atomistic simulations. We hypothesize that this discrepancy could be caused by drag forces from jogs and point defects produced during the plastic deformation. Cross-slip of screw dislocations is also found to be necessary to capture the experimental stress–strain behavior, especially for the [0 1 1] loading direction. Finally, this work provides an example of how direct comparisons between DDD simulations and experimental measurements can provide new insight into the fundamental mechanisms of plastic deformation.

View Accepted Manuscript (DOE)

Research Organization:: Stanford Univ., CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: SC0010412

OSTI ID:: 2420030

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 250; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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