Journal
PHYSICAL REVIEW B
Volume 84, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.014105
Keywords
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Funding
- AFOSR [FA9550-10-1-0185, FA9550-07-1-0125]
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Impurity-based, premelting-like, grain boundary (GB) phases (complexions) can form in alloys and influence sintering, creep, and microstructural development. Calculation of Phase Diagrams (CalPhaD) methods and Miedema-type statistical interfacial thermodynamic models are combined to forecast the formation and stability of subsolidus quasiliquid GB phases in binary alloys. This work supports a long-range scientific goal of developing GB (phase) diagrams as a new materials science tool to help controlling the materials fabrication processing and resultant materials properties. Using nickel-doped molybdenum as a model system, a type of GB diagram (called lambda diagram) is computed to represent the temperature-and composition-dependent thermodynamic tendency for general GBs to disorder. Subsequently, controlled sintering experiments are conducted to estimate the GB diffusivity as a function of temperature and overall composition, and the experimental results correlate well with the computed GB diagram. Although they are not yet rigorous GB-phase diagrams with well-defined transition lines, the predictability and usefulness of such lambda diagrams are demonstrated. Related interfacial thermodynamic models and computational approaches are discussed.
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