Atomistic modeling of the critical region of copper using a liquid-vapor coexistence curve

Abstract

Summary. A liquid – vapor coexistence curve was obtained for copper by the method of molecular dynamics modeling (MDM), and the corresponding critical parameters were determined: temperature, density, and pressure. The interaction potential of particles was of the “embedded atom” type (EAM). The critical temperature T cr was determined from the MDM results using the average cluster size method in the critical region. To clarify the critical density value, the empirical rule of rectilinear diameter was used. The results of modeling of this work were compared with the results of evaluating of the critical parameters of copper by other authors using different approaches.