TY - JOUR
T1 - Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps
AU - Darling, K. A.
AU - Tschopp, M. A.
AU - Vanleeuwen, B. K.
AU - Atwater, M. A.
AU - Liu, Z. K.
N1 - Funding Information:
This work is supported in part by the U.S. Army Research Laboratory (ARL) under contract GS04T09DBC0017. Dr. Mark Tschopp would like to acknowledge partial support from ARL administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and ARL. Dr. Mark Tschopp would like to acknowledge continued support for this work from ARL through the High Performance Technology Group at Dynamic Research Corporation. Dr. Zi-Kui Liu would like to acknowledge support from the National Science Foundation under Grant DMR-1005677.
PY - 2014/3
Y1 - 2014/3
N2 - 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.
AB - 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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U2 - 10.1016/j.commatsci.2013.10.018
DO - 10.1016/j.commatsci.2013.10.018
M3 - Article
AN - SCOPUS:84891683091
SN - 0927-0256
VL - 84
SP - 255
EP - 266
JO - Computational Materials Science
JF - Computational Materials Science
ER -