Atomistic investigation of phase transition in solid argon induced by shock wave transmission

• Published in: Phase transitions Vol. 86; no. 8; pp. 838 - 853
• Main Authors: Mahnama, Maryam, Naghdabadi, Reza, Movahhedy, Mohammad Reza
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis Group 01.08.2013; Taylor & Francis Ltd
• Subjects: Argon; Equations of state; Free energy; Liquids; molecular dynamics simulations; Phase diagrams; Phase transformations; phase transition; Phase transitions; shock wave transmission; Shock waves; Simulation; solid argon
• ISSN: 0141-1594; 1029-0338
• DOI: 10.1080/01411594.2012.726726

A molecular dynamics (MD) simulation is employed to study the phase transition process in argon induced by shock wave transmission. Deriving the relation between the shock and piston velocities, the theoretical equation of state for argon is presented. Also, argon equation of state is obtained by measuring the quantities directly from simulations to be able to detect the phase transitions. The phase transition is also detected by using argon phase diagram and free energy calculations. A comparison shows good agreement between the theoretical and MD results for the phase transitions. Based on these simulations, it is concluded that under a shock wave transmission with suitable energy, the solid argon experiences a phase transition from solid to liquid and another from liquid to supercritical fluid. By reflecting the shock wave back at the end of its passage, the whole argon may reach the supercritical state.