Thermodynamics of stable nanocrystalline alloys: A Monte Carlo analysis
Name
Chookajorn-2014-Thermodynamics of stable nanocrystalline.pdf
Size
2.95 MB
Format
Adobe PDF
Checksum (MD5)
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Author(s)
Chookajorn, Tongjai
Schuh, Christopher A.
Date Issued
February 2014
Journal
Physical Review B
Publisher
American Physical Society
Citation
Chookajorn, Tongjai, and Christopher A. Schuh. "Thermodynamics of stable nanocrystalline alloys: A Monte Carlo analysis." Phys. Rev. B 89, 064102 (February 2014). © 2014 American Physical Society
Version
Final published version
Abstract
A Monte Carlo simulation method is used to study the energetics and configuration of binary alloys when grain boundary states are included as potential equilibrium features. For certain sets of alloy properties, a nanostructured grain assembly is found to be the most energetically favorable state, and is stabilized by grain boundary segregation of solute. The conditions for stability against grain coarsening and the “grain boundary energy” requirement are clarified, with emphasis on the closed system conditions that prevail in nanostructured alloys. Two thermodynamic parameters, the grain boundary area potential and the grain boundary formation energy, are quantitatively disentangled and shown to differently reflect grain stability and the energy state of interfaces. These discussions provide insights on how alloying can be used to actively manipulate nanocrystalline grain sizes.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.89.064102
