This article is cited in 4 papers

Review

Computer Simulation of Noncrystalline Systems Using Structural Diffraction Data

D. K. Belashchenko, A. S. Ginzburg

Moscow Institute of Steel and Alloys (Technological University)

Abstract: The "reverse" Monte Carlo method is used to perform computer simulation of one- and two-component noncrystalline systems. The force algorithm, the hybrid algorithm, and the delta algorithm (at absolute zero) for the construction of computer models are given, with an analysis of their structure. The problem of inference of interparticle potentials from diffraction data is treated, and examples of construction of models of liquid are given.

UDC: 541.45:541.65

Received: 02.04.2001

 English version: High Temperature, 2002, 40:1, 120–138

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