Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps

K. A. Darling, M. A. Tschopp, B. K. Vanleeuwen, M. A. Atwater, Zi-kui Liu

Research output: Contribution to journalArticle

54 Citations (Scopus)

Abstract

Mitigating grain growth at high temperatures in binary nanocrystalline alloys is important for processing nanocrystalline alloy systems. The objective of this research is to develop a methodical design-based approach for selecting solutes in binary nanocrystalline alloys by revisiting grain boundary thermodynamics and the internal processes of grain growth and solute segregation in a closed system. In this work, the grain boundary energy is derived and systematically studied in terms of temperature, grain size, concentration, and solute segregation for binary systems of 44 solvents and 52 solutes, using readily-available elemental data, such as moduli and liquid enthalpy of mixing. It is shown that through solute segregation, the grain boundary energies of some binary systems can be reduced, resulting in thermodynamically stable grain structures and successful prediction of solutes that inhibit grain growth in some nanocrystalline alloys. Parametric studies reveal trends between equilibrium grain size, solute distribution and temperature for various binary systems culminating in the generation of nanocrystalline thermodynamic stability maps as a tool for solute selection in binary nanocrystalline alloys.

Original languageEnglish (US)
Pages (from-to)255-266
Number of pages12
JournalComputational Materials Science
Volume84
DOIs
StatePublished - Mar 1 2014

Fingerprint

Nanocrystalline alloys
Grain Growth
Binary alloys
Grain growth
solutes
Thermodynamics
Thermodynamic stability
Binary
thermodynamics
Binary System
Grain Boundary
Segregation
Grain boundaries
Grain Size
grain boundaries
Crystal microstructure
grain size
Temperature
Enthalpy
Energy

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

Cite this

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abstract = "Mitigating grain growth at high temperatures in binary nanocrystalline alloys is important for processing nanocrystalline alloy systems. The objective of this research is to develop a methodical design-based approach for selecting solutes in binary nanocrystalline alloys by revisiting grain boundary thermodynamics and the internal processes of grain growth and solute segregation in a closed system. In this work, the grain boundary energy is derived and systematically studied in terms of temperature, grain size, concentration, and solute segregation for binary systems of 44 solvents and 52 solutes, using readily-available elemental data, such as moduli and liquid enthalpy of mixing. It is shown that through solute segregation, the grain boundary energies of some binary systems can be reduced, resulting in thermodynamically stable grain structures and successful prediction of solutes that inhibit grain growth in some nanocrystalline alloys. Parametric studies reveal trends between equilibrium grain size, solute distribution and temperature for various binary systems culminating in the generation of nanocrystalline thermodynamic stability maps as a tool for solute selection in binary nanocrystalline alloys.",
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Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps. / Darling, K. A.; Tschopp, M. A.; Vanleeuwen, B. K.; Atwater, M. A.; Liu, Zi-kui.

In: Computational Materials Science, Vol. 84, 01.03.2014, p. 255-266.

Research output: Contribution to journalArticle

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