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High-temperature Raman spectroscopy and quasi-harmonic lattice dynamic simulation of diopside

โœ Scribed by Varghese Swamy; Leonid S. Dubrovinsky; Masanori Matsui


Publisher
Springer-Verlag
Year
1997
Tongue
English
Weight
227 KB
Volume
24
Category
Article
ISSN
0342-1791

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Simulation of metals and alloys using qu
โœ G.D. Barrera; R.H. de Tendler ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 595 KB

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