Abstract
An algorithm is developed to construct an effective pair potential that can reproduce several char� acteristics of a system during a molecular dynamics simulation. This algorithm is based on the Schommers method and the Belashchenko method of potential hybridization and is used to construct an effective pair potential for liquid iron near the melting temperature. The constructed potential well reproduces the pair cor� relation function of liquid iron in an NPT ensemble with zero pressure in a barostat and provides good agree� ment for the atomic density and the linear thermal expansion coefficient.
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