Grain boundary segregation and thermodynamically stable binary nanocrystalline alloys
Name
Trelewicz-2009-Grain boundary segre.pdf
Size
1.44 MB
Format
Adobe PDF
Checksum (MD5)
3386de42efc2e3f495431191e93b3501
Author(s)
Trelewicz, Jason R.
Schuh, Christopher A.
Date Issued
March 2009
Journal
Physical Review B
Publisher
American Physical Society
Citation
Trelewicz, Jason R., and Christopher A. Schuh. “Grain boundary segregation and thermodynamically stable binary nanocrystalline alloys.” Physical Review B 79.9 (2009): 094112. (C) 2010 The American Physical Society.
Version
Final published version
Abstract
A free-energy function for binary polycrystalline solid solutions is developed based on pairwise nearest-neighbor interactions. The model permits intergranular regions to exhibit unique energetics and compositions from grain interiors, under the assumption of random site occupation in each region. For a given composition, there is an equilibrium grain size, and the alloy configuration in equilibrium generally involves solute segregation. The present approach reduces to a standard model of grain boundary segregation in the limit of infinite grain size, but substantially generalizes prior thermodynamic models for nanoscale alloy systems. In particular, the present model allows consideration of weakly segregating systems, systems away from the dilute limit, and is derived for structures of arbitrary dimensionality. A series of solutions for the equilibrium alloy configuration and grain size are also presented as a function of simple input parameters, including temperature, alloy interaction energies, and component grain boundary energies.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
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.
Persistent DSpace Link
DOI of Published Version
http://dx.doi.org/10.1103/PhysRevB.79.094112
