|Title||Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design|
|Publication Type||Journal Article|
|Year of Publication||2013|
|Authors||Murdoch, HA, Schuh, CA|
|Journal||Journal of Materials Research|
|Pagination||2154 - 2163|
Grain boundary segregation provides a method for stabilization of nanocrystalline metals-an alloying element that will segregate to the boundaries can lower the grain boundary energy, attenuating the driving force for grain growth. The segregation strength relative to the mixing enthalpy of a binary system determines the propensity for segregation stabilization. This relationship has been codified for the design space of positive enthalpy alloys; unfortunately, quantitative values for the grain boundary segregation enthalpy exist in only very few material systems, hampering the prospect of nanocrystalline alloy design. Here we present a Miedema-type model for estimation of grain boundary segregation enthalpy, with which potential nanocrystalline phase-forming alloys can be rapidly screened. Calculations of the necessary enthalpies are made for similar to 2500 alloys and used to make predictions about nanocrystalline stability.