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KIAM Preprint  83, Moscow, 2021
Authors: Mazhukin V.I., Koroleva O.N., Demin M.M., Aleksashkina A.A.
Atomistic modeling of the parameters of the critical region of gold using the liquid-vapor coexistence curve
The liquid-vapor coexistence curve for gold was obtained by molecular dynamics (MD) modeling and the critical parameters were determined: temperature, density and pressure. The interaction potential of particles of the embedded atom family EAM is used. The critical temperature Tcr was determined from the results of MD simulation using the method of the average cluster size in the critical region. To clarify the value of the critical density, the empirical rule of the rectilinear diameter was used. The comparison of the simulation results of this work with the results of the assessment of the critical parameters of gold by other authors using different approaches.
molecular dynamics modeling, liquid-vapor coexistence curve, critical parameters, gold
Publication language: russian,  pages: 16
Research direction:
Mathematical modelling in actual problems of science and technics
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About authors:
  • Mazhukin Vladimir Ivanovich, RAS
  • Koroleva Olga Nikolaevna, RAS
  • Demin Mikhail Mikhailovich, RAS
  • Aleksashkina Anna Andreevna, RAS