Molecular Dynamics Simulation of Amorphous Pd<SUB>80</SUB>Si<SUB>20</SUB> Alloy
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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The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
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The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are modeled by a pairwise-additive potential, the so-called CHIK potential, that has been recently proposed by Carré et al. The experimental equation of state is well-reproduced by the CHIK model. With increasing pressure (den...
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ژورنال
عنوان ژورنال: Transactions of the Japan Institute of Metals
سال: 1987
ISSN: 0021-4434,2432-4701
DOI: 10.2320/matertrans1960.28.761