A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium

We compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom method type. The coexistence properties we focus on are the melting curve, vapor pressure, saturated liquid density, a...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry. B 2015-07, Vol.119 (29), p.8960-8968
Hauptverfasser:	Vella, Joseph R, Stillinger, Frank H, Panagiotopoulos, Athanassios Z, Debenedetti, Pablo G
Format:	Artikel
Sprache:	eng
Schlagworte:	embedded-atom method INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY lithium melting phase coexistence surface tension vapor pressure vapor-liquid equilibrium
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!