Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design

Murdoch, Heather A.; Schuh, Christopher A.

doi:10.1557/jmr.2013.211

Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design

Journal Article · Tue Aug 06 00:00:00 EDT 2013 · Journal of Materials Research

DOI:https://doi.org/10.1557/jmr.2013.211· OSTI ID:1386990

Murdoch, Heather A. ^[1]; Schuh, Christopher A. ^[1]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering

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. 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 ~2500 alloys and used to make predictions about nanocrystalline stability.

View Accepted Manuscript (DOE)

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0001299

OSTI ID:: 1386990

Alternate ID(s):: OSTI ID: 1160718

Journal Information:: Journal of Materials Research, Journal Name: Journal of Materials Research Journal Issue: 16 Vol. 28; ISSN 0884-2914

Publisher:: Materials Research SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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