Pressure–Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials

• Published in: The journal of physical chemistry. B Vol. 124; no. 28; pp. 6015 - 6023
• Main Authors: Dorrell, Jordan, Pártay, Livia B
• Format: Journal Article
• Language: English
• Published: American Chemical Society 16.07.2020
• Subjects: B: Liquids, Chemical and Dynamical Processes in Solution, Spectroscopy in Solution

In order to study the performance of interatomic potentials and their reliability at higher pressures, the phase diagrams of two different embedded-atom-type potential models (EAMs) and a modified embedded-atom model (MEAM) of lithium are compared. The calculations were performed by using the nested...