Abstract
Molecular dynamics simulation and Hypernetted‐chain approximation of the liquids have been applied to obtained the static structure and transport properties of superionic β‐Mg3Bi2 at liquid phase near melting temperature. The potential used for the calculations has the same functional form that is originally used to investigate the fast‐ion conduction phase of α‐AgI. The system is still under investigation and should be concluded soon.
Keywords
Thermal conduction
Molecular dynamics
Materials science
Phase (matter)
Fast ion conductor
Thermodynamics
Liquid phase
Chemical physics
Ion
Melting temperature
Condensed matter physics
Physical chemistry
Computational chemistry
Electrode
Chemistry
Physics
Electrolyte
Subject Areas
Superconductivity in MgB2 and Alloys
·Condensed Matter Physics ·Physical Sciences
Rare-earth and actinide compounds
·Condensed Matter Physics ·Physical Sciences
Iron-based superconductors research
·Electronic, Optical and Magnetic Materials ·Physical Sciences