Simulation of metals and alloys using qu
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G.D. Barrera; R.H. de Tendler
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Article
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1997
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Elsevier Science
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English
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This work describes the implementation of a new program, EAMLD, that allows the calculation of static and vibrational contributions to the free energy of metals and alloys using lattice dynamics (LD) within the quasi-harmonic (QH) approximation. Many-body interactions are taken into account by using