Monte Carlo calculation of the configurational entropy and combinatory factor on binary alloys |
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| Affiliation: | 1. Heisenberg-Group, Department Mechanical Engineering, University of Siegen, Paul-Bonatz-Str. 9-11, 57068 Siegen, Germany;2. Institute of Computational Physics, School of Engineering, Zurich University of Applied Sciences, Wildbachstrasse 21, 8400 Winterthur, Switzerland;3. Institute of Materials Engineering, Department Mechanical Engineering, University of Siegen, Paul-Bonatz-Str. 9-11, 57068 Siegen, Germany |
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| Abstract: | A method is presented for the calculation of free energy and entropy of regular solutions. It is based on a calculation of the configurational density of states (combinatory factor), from Monte Carlo computations. Application to the planar square lattice shows an excellent agreement with exact results. Results on a bcc lattice are presented. |
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