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Collective dynamic properties in simple crystals: Influence of the structural disorder
Anento Moreno, Napoleón; Padró i Cárdenas, Joan Àngel
Universitat de Barcelona
Collective dynamic properties in Lennard-Jones crystals are investigated by molecular dynamics simulation. The study is focused on properties such as the dynamic structure factors, the longitudinal and transverse currents and the density of states. The influence on these properties of the structural disorder is analyzed by comparing the results for one-component crystals with those for liquids and supercooled liquids at analogous conditions. The effects of species-disorder on the collective properties of binary crystals are also discussed.
2010-05-04
Dinàmica molecular
Cristal·lografia
Física estadística
Termodinàmica
Mètodes de simulació
Estructura molecular
Molecular dynamics
Crystallography
Statistical physics
Thermodynamics
Simulation methods
Molecular structure
(c) The American Physical Society, 2004
Article
The American Physical Society
         

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