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The grain boundary mobility tensor.

Kongtao Chen1, Jian Han1,2, Xiaoqing Pan3

  • 1Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA 19104.

Proceedings of the National Academy of Sciences of the United States of America
|February 20, 2020
PubMed
Summary
This summary is machine-generated.

Grain boundary mobility is a tensor, not a scalar, with components that can increase or decrease with temperature. This tensor behavior, including shear coupling, impacts grain growth dynamics in materials.

Keywords:
grain boundarygrain growthmaterials sciencemolecular dynamicsthermodynamics

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • Grain boundary (GB) mobility traditionally relates GB velocity to driving force.
  • GB velocity can involve tangential motion, implying a vector nature.
  • GB motion can be driven by chemical potential or shear, necessitating a tensor description of mobility.

Purpose of the Study:

  • To investigate the full tensor nature of grain boundary mobility.
  • To explore the temperature dependence of all six components of the GB mobility tensor.
  • To develop a model explaining GB mobility and its impact on grain growth.

Main Methods:

  • Molecular dynamics (MD) simulations of a symmetric-tilt GB in copper.
  • Development of a disconnection dynamics-based statistical model.
  • Analysis of shear coupling effects on grain growth.

Main Results:

  • All six components of the GB mobility tensor are demonstrated to be nonzero and symmetric.
  • Some mobility components increase with temperature, while others unexpectedly decrease.
  • A model suggests Arrhenius behavior below a critical temperature and a decrease above it.

Conclusions:

  • Grain boundary mobility is fundamentally a tensor quantity, influenced by shear coupling.
  • Temperature dependence of GB mobility is complex, with components exhibiting contrasting behaviors.
  • Shear coupling during GB migration slows grain growth and reduces overall GB mobility in polycrystals.