Molecular Dynamics Simulation of Ga Penetration along Al Grain Boundaries under a Constant Strain Rate Condition
نویسندگان
چکیده
منابع مشابه
Molecular Dynamics Simulation of Potassium Chloride Melting (II. Constant Volume and Constant Pressure Simulation of Filled System)
We have used a simple ionic potential to simulate the melting of KCI pseudo-infinite crystal. Two MD simulations, one with constant Volume and the other with constant pressure condition are performed. These results are compared with the previous micro-sample simulation results. In the constant volume simulation the melting temperature increase substantially with increasing pressure. A method fo...
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Dynamics of grain boundary (GB) atoms in the bulk nanocrystalline aluminium is investigated by means of a large-scale molecular dynamics simulation. It is found that the GB atoms in the nanocrystalline aluminium display the glassy dynamics. Their dynamic features are, on one hand, similar to those in the glass systems and bicrystal GBs, in terms of the time-correlation functions of mean-square ...
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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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ژورنال
عنوان ژورنال: MATERIALS TRANSACTIONS
سال: 2014
ISSN: 1345-9678,1347-5320
DOI: 10.2320/matertrans.m2013443