Browsing by Subject "molecular dynamics calculations"
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Vibrational properties of a Sigma 5(310) 001 NiO grain boundary as a function of temperature: A molecular dynamics simulation
(2002)In this communication we present results concerning the study of the vibrational properties of a Sigma5(310)[001] NiO grain boundary by molecular dynamics simulations. The phonon density of states of the cation and anion ...