MONTE-CARLO SIMULATION STUDIES OF BINARY-MIXTURES - A MEASURE OF THE MIXING

Date

1994-01-01

Author

Karaaslan, Hasan
YURTSEVER, E

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A Monte Carlo algorithm tailored to fast equilibration of binary mixtures is applied to Lennard-Jones fluids and solids. In order to study phase transitions as functions of interaction parameters as well as of the temperature, a measure of the mixing is defined which is based on the normalized differences of radial distribution functions. At all temperatures sharp transitions are observed when the ratio of the interaction strengths of like and unlike particles reaches a threshold value.

Subject Keywords

Computer experiments, Liquids

URI

https://hdl.handle.net/11511/38546

Collections

Department of Computer Education and Instructional Technology, Article