Πλοήγηση ανά Θέμα "NIO(001)"
Αποτελέσματα 1-4 από 4
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A homogenous random fractal model for time series produced by constant energy molecular dynamics simulations
(2003)In the present work we present an analysis of time series of instantaneous temperature and pressure produced during microcanonical (constant energy) molecular dynamics (MD). Simulations were applied to a nickel oxide grain ... -
Molecular dynamics simulation study of Ni2+ adatom diffusion on the NiO (001) surface
(2001)Using molecular dynamics simulations we studied the cation adatom diffusion on the NiO(001) surface. We found that there are two equilibrium adatom positions: one over an oxygen ion, that is raised by as much as 30% at ... -
Noise perturbation of the thermostat in constant temperature molecular dynamics simulations
(2004)In this work we study the effects of noise applied on the thermostat in the case of the constant temperature molecular dynamics simulations. We consider the cases of additive and or multiplicative noise. We then examine ... -
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 ...