A Quasi-Harmonic Calculation of Lattice Dynamics for Na
โ Scribed by P. S. Ho; A. L. Ruoff
- Publisher
- John Wiley and Sons
- Year
- 1967
- Tongue
- English
- Weight
- 573 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0370-1972
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๐ SIMILAR VOLUMES
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
In this paper we extend the classical method of lattice dynamics to defective crystals with partial symmetries. We start by a nominal defect configuration and first relax it statically. Having the static equilibrium configuration, we use a quasi-harmonic lattice dynamics approach to approximate the
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