Computer simulations of the structure of amorphous systems by the Markov chain method
- 1 June 1984
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 14 (6) , 1325-1332
- https://doi.org/10.1088/0305-4608/14/6/004
Abstract
An efficient method for computer simulations of liquid and amorphous systems is described. The method is based on replacing the natural trajectory of the system in phase space generated by the Newtonian equations of motion by a Markov chain. Convergence to the Gibbs distribution is proved. The relation to the other simulation methods is discussed. The method is applied to simulation of the structure of amorphous iron. As an example of employing the method to study thermodynamic properties, the quenching of the system is investigated.Keywords
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