3 resultados para estimation of dynamic structural models
em Diposit Digital de la UB - Universidade de Barcelona
Resumo:
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.
Resumo:
An accurate mass formula at finite temperature has been used to obtain a more precise estimation of temperature effects on fission barriers calculated within the liquid drop model.