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

Abstract

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.

Authors:
 [1];  [1]
  1. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1386990
Grant/Contract Number:  
SC0001299
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Research
Additional Journal Information:
Journal Volume: 28; Journal Issue: 16; Journal ID: ISSN 0884-2914
Publisher:
Materials Research Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats

Murdoch, Heather A., and Schuh, Christopher A. Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design. United States: N. p., 2013. Web. doi:10.1557/jmr.2013.211.
Murdoch, Heather A., & Schuh, Christopher A. Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design. United States. doi:10.1557/jmr.2013.211.
Murdoch, Heather A., and Schuh, Christopher A. Tue . "Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design". United States. doi:10.1557/jmr.2013.211. https://www.osti.gov/servlets/purl/1386990.
@article{osti_1386990,
title = {Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design},
author = {Murdoch, Heather A. and Schuh, Christopher A.},
abstractNote = {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.},
doi = {10.1557/jmr.2013.211},
journal = {Journal of Materials Research},
number = 16,
volume = 28,
place = {United States},
year = {2013},
month = {8}
}

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Cited by: 76 works
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