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Multiscale simulations on the grain growth process in nanostructured materials

Paper presented at the 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  • Reza Darvishi Kamachali , Jun Hua , Ingo Steinbach and Alexander Hartmaier
Published/Copyright: June 11, 2013
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International Journal of Materials Research
From the journal International Journal of Materials Research Volume 101 Issue 11

Abstract

In this work, multi-phase field and molecular dynamics simulations have been used to investigate nanoscale grain growth mechanisms. Based on experimental observations, the combination of grain boundary expansion and vacancy diffusion has been considered in the multi-phase field model. The atomistic mechanism of boundary movement and the free volume redistribution during the growth process have been investigated using molecular dynamics simulations. According to the multi-phase field results, linear grain growth in nanostructured materials at low temperature can be explained by vacancy diffusion in the stress field around the grain boundaries. Molecular dynamics simulations confirm the observation of linear grain growth for nanometresized grains. The activation energy of grain boundary motion in this regime has been determined to be of the order of onetenth of the self-diffusion activation energy, which is consistent with experimental data. Based on the simulation results, the transition from linear to normal grain growth is discussed in detail and a criterion for this transition is proposed.

Keywords: Multi-phase field; Molecular dynamics; Grain growth; Linear growth; Nanocrystalline metal

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Received: 2010-2-10
Accepted: 2010-5-7
Published Online: 2013-06-11
Published in Print: 2010-11-01

© 2010, Carl Hanser Verlag, München

Articles in the same Issue

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  2. Contents
  3. Editorial
  4. 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  5. Basic
  6. Multiscale simulations on the grain growth process in nanostructured materials
  7. Thermodynamic re-modeling of the Co–Gd system
  8. Microstructure and tribological properties of in-situ Y2O3/Ti-5Si alloy composites
  9. Phase relations in the ZrO2–Nd2O3–Y2O3 system: experimental study and CALPHAD assessment
  10. Phase transition in nanocrystalline iron: Atomistic-level simulations
  11. Thermodynamic assessment of the Cr–Al–Nb system
  12. Experimental investigation and thermodynamic modeling of the Cu–Mn–Zn system
  13. Elastic constants and thermophysical properties of Al–Mg–Si alloys from first-principles calculations
  14. Predicting microsegregation in multicomponent aluminum alloys – progress in thermodynamic consistency
  15. Phase reaction of ceria in LPS–SiC with Al2O3–Y2O3 and AlN–Y2O3 additives
  16. Applied
  17. Phase equilibria in the Fe–Ti–V system
  18. A thermodynamic description of the Ce–La–Mg system
  19. Molar volume calculation of Ga–Bi–X (X=Sn, In) liquid alloys using the general solution model
  20. Microstructural analysis in the vacuum brazing of copper to copper using a phosphor–copper brazing filler metal
  21. Microstructural development of the hot extruded magnesium alloy AZ31 under cyclic testing conditions
  22. DGM News
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https://doi.org/10.3139/146.110419
Keywords for this article
Multi-phase field; Molecular dynamics; Grain growth; Linear growth; Nanocrystalline metal

Articles in the same Issue

  1. Contents
  2. Contents
  3. Editorial
  4. 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification
  5. Basic
  6. Multiscale simulations on the grain growth process in nanostructured materials
  7. Thermodynamic re-modeling of the Co–Gd system
  8. Microstructure and tribological properties of in-situ Y2O3/Ti-5Si alloy composites
  9. Phase relations in the ZrO2–Nd2O3–Y2O3 system: experimental study and CALPHAD assessment
  10. Phase transition in nanocrystalline iron: Atomistic-level simulations
  11. Thermodynamic assessment of the Cr–Al–Nb system
  12. Experimental investigation and thermodynamic modeling of the Cu–Mn–Zn system
  13. Elastic constants and thermophysical properties of Al–Mg–Si alloys from first-principles calculations
  14. Predicting microsegregation in multicomponent aluminum alloys – progress in thermodynamic consistency
  15. Phase reaction of ceria in LPS–SiC with Al2O3–Y2O3 and AlN–Y2O3 additives
  16. Applied
  17. Phase equilibria in the Fe–Ti–V system
  18. A thermodynamic description of the Ce–La–Mg system
  19. Molar volume calculation of Ga–Bi–X (X=Sn, In) liquid alloys using the general solution model
  20. Microstructural analysis in the vacuum brazing of copper to copper using a phosphor–copper brazing filler metal
  21. Microstructural development of the hot extruded magnesium alloy AZ31 under cyclic testing conditions
  22. DGM News
  23. DGM News
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