Classical and ab-initio molecular dynamic simulation of an amorphous silica surface
نویسندگان
چکیده
منابع مشابه
Amorphous Silica: A Molecular Dynamics Computer Simulation
We use molecular dynamics computer simulations to calculate the frequency dependence of the specific heat of a SiO2 melt. The ions interact with the BKS potential and the simulations are done in the NVE ensemble. We find that the frequency dependence of the specific heat shows qualitatively the same behavior as the one of structural quantities, in that at high frequencies a microscopic peak is ...
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2002
ISSN: 0010-4655
DOI: 10.1016/s0010-4655(02)00250-3