Thermodynamic properties of metastable Ag-Cu alloys
- Department of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States)
- Department of Nuclear Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States)
The enthalpies of formation of metastable fcc Ag-Cu solid solutions, produced by ball milling of elemental powders, were determined by differential scanning calorimetry. Experimental thermodynamic data for these metastable alloys and for the equilibrium phases are compared with both calculation of phase diagrams (CALPHAD) and atomistic simulation predictions. The atomistic simulations were performed using the free-energy minimization method (FEMM). The FEMM determination of the equilibrium Ag-Cu phase diagram and the enthalpy of formation and lattice parameters of the metastable solid solutions are in good agreement with the experimental measurements. CALPHAD calculations made in the same metastable regime, however, significantly overestimate the enthalpy of formation. Thus, the FEMM is a viable alternative approach for the calculation of thermodynamic properties of equilibrium and metastable phases, provided reliable interatomic potentials are available. The FEMM is also capable of determining such properties as the lattice parameter which are not available from CALPHAD calculations.
- DOE Contract Number:
- FG02-88ER45367
- OSTI ID:
- 6303493
- Journal Information:
- Journal of Applied Physics; (United States), Vol. 74:5; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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COPPER ALLOYS
THERMODYNAMIC PROPERTIES
SILVER ALLOYS
BINARY ALLOY SYSTEMS
CALORIMETRY
COMPUTERIZED SIMULATION
FORMATION FREE ENTHALPY
LATTICE PARAMETERS
PHASE DIAGRAMS
ALLOY SYSTEMS
ALLOYS
DIAGRAMS
ENERGY
FREE ENTHALPY
PHYSICAL PROPERTIES
SIMULATION
360102* - Metals & Alloys- Structure & Phase Studies