The effect of second neighbour repulsion on fcc binary alloy phase diagrams: A Monte Carlo study |
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| Authors: | Rita Khanna T R Welberry |
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| Affiliation: | (1) Research School of Chemistry, The Australian National University, P.O. Box 4, 0200 Canberra, ACT, Australia |
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| Abstract: | We report the results of the Monte Carlo simulation of the phase diagram of fcc binary alloys using a 3-D Ising model with nearest and next-nearest neighbour repulsive interactions. Calculations are carried out for a ratio of second- to first-neighbour interaction energies of 0.4. The resulting phase diagram contains three superstructures A2B2, A2B and A5B, each separated by a disordered fcc phase. There was no evidence for the formation of an A3B phase. These results are in qualitative agreement with CVM results. |
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| Keywords: | Monte Carlo simulation phase diagram binary alloys |
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