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Deformation mechanism and inverse Hall – Petch behavior in nanocrystalline materials

  • D. Wolf EMAIL logo , V. Yamakov , S. R. Phillpot and A. K. Mukherjee
Published/Copyright: February 7, 2022
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International Journal of Materials Research
From the journal International Journal of Materials Research Volume 94 Issue 10

Abstract

It is widely accepted that for the very smallest grain sizes (typically below 20 – 30 nm), dislocations play no significant role in the deformation of nanocrystalline materials. However, the grain-boundary mechanisms responsible for the reported decrease in strength with decreasing grain size in this regime (the ‘inverse Hall–Petch effect’) remain unclear. Here, we demonstrate by molecular-dynamics simulation that, in the absence of both grain growth and any dislocations, nanocrystalline fcc metals deform via a mechanism involving an intricate interplay between grain-boundary sliding and grain-boundary diffusion. By quantitatively reproducing the well-known Coble-creep formula for coarse-grained materials, we show that the ‘inverse Hall–Petch effect’ arises from sliding-accommodated grain-boundary diffusion creep. Previous, apparently contradictory, suggestions that GB sliding, on the one hand, or GB-diffusion creep, on the other, are responsible for this behavior can thus be reconciled as originating from one and the same deformation mechanism. We discuss the reasons why we believe that these simulations also capture the room-temperature deformation behavior of nanocrystalline fcc metals in the absence of dislocation nucleation and microcracking.

Dedicated to Prof. Dr. Dr. h. c. Herbert Gleiter on the occasion of his 65th birthday

Dieter Wolf Materials Science Division, Bldg. 212 Argonne National Laboratory Argonne, IL 60439, USA Tel.: +01 630 252 5205 Fax: +01 630 252 4289

  1. V.Y., D.W. and S.R.P. are supported by the US Department of Energy, BES-Materials Science under contract W-31-109-Eng-38. V.Y. is also grateful for support from the DOE/BES-MS Computational Materials Science Network (CMSN). A.K.M. acknowledges support from NSF-DMR. We are grateful for grants of computer time on the Cray-T3E at the John-von-Neumann-Institute for Computing in Jülich, Germany, and on the Chiba City Linux cluster at ANL.

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Received: 2003-05-02
Published Online: 2022-02-07

© 2003 Carl Hanser Verlag, München

Articles in the same Issue

  1. Frontmatter
  2. Articles/Aufsätze
  3. From atomistics to macro-behavior: structural superplasticity in micro- and nano-crystalline materials
  4. Interface stress in nanocrystalline materials
  5. Microstructure, frequency and localisation of pseudo-elastic fatigue strain in NiTi
  6. Intercrystalline defects and some properties of electrodeposited nanocrystalline nickel and its alloys
  7. Positrons as chemically sensitive probes in interfaces of multicomponent complex materials: Nanocrystalline Fe90Zr7B3
  8. Annealing treatments to enhance thermal and mechanical stability of ultrafine-grained metals produced by severe plastic deformation
  9. Nanoceramics by chemical vapour synthesis
  10. Deformation mechanism and inverse Hall – Petch behavior in nanocrystalline materials
  11. Simulations of the inert gas condensation processes
  12. Unconventional deformation mechanism in nanocrystalline metals?
  13. Alloying reactions in nanostructured multilayers during intense deformation
  14. Impact of grain boundary character on grain boundary kinetics
  15. Nanostructured (CoxFe1– x)3–yO4 spinel – mechanochemical synthesis
  16. Nanostructure formation and thermal stability of nanophase materials prepared by mechanical means
  17. Low-temperature plasma nitriding of AISI 304 stainless steel with nano-structured surface layer
  18. New materials from non-intuitive composite effects
  19. On the line defects associated with grain boundary junctions
  20. Young’s modulus in nanostructured metals
  21. The kinetics of phase formation in an ultra-thin nanoscale layer
  22. Notifications/Mitteilungen
  23. Personal/Personelles
  24. News
  25. DGM Events
https://doi.org/10.1515/ijmr-2003-0199

Articles in the same Issue

  1. Frontmatter
  2. Articles/Aufsätze
  3. From atomistics to macro-behavior: structural superplasticity in micro- and nano-crystalline materials
  4. Interface stress in nanocrystalline materials
  5. Microstructure, frequency and localisation of pseudo-elastic fatigue strain in NiTi
  6. Intercrystalline defects and some properties of electrodeposited nanocrystalline nickel and its alloys
  7. Positrons as chemically sensitive probes in interfaces of multicomponent complex materials: Nanocrystalline Fe90Zr7B3
  8. Annealing treatments to enhance thermal and mechanical stability of ultrafine-grained metals produced by severe plastic deformation
  9. Nanoceramics by chemical vapour synthesis
  10. Deformation mechanism and inverse Hall – Petch behavior in nanocrystalline materials
  11. Simulations of the inert gas condensation processes
  12. Unconventional deformation mechanism in nanocrystalline metals?
  13. Alloying reactions in nanostructured multilayers during intense deformation
  14. Impact of grain boundary character on grain boundary kinetics
  15. Nanostructured (CoxFe1– x)3–yO4 spinel – mechanochemical synthesis
  16. Nanostructure formation and thermal stability of nanophase materials prepared by mechanical means
  17. Low-temperature plasma nitriding of AISI 304 stainless steel with nano-structured surface layer
  18. New materials from non-intuitive composite effects
  19. On the line defects associated with grain boundary junctions
  20. Young’s modulus in nanostructured metals
  21. The kinetics of phase formation in an ultra-thin nanoscale layer
  22. Notifications/Mitteilungen
  23. Personal/Personelles
  24. News
  25. DGM Events
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