Ab initio calculation of the Pd-V fcc superstructure phase diagram with fourth nearest neighbor cluster interactions

Keyphrases

• Ab Initio Calculations 100%
• Phase Diagram 100%
• Nearest Neighbor 100%
• Neighbor Cluster 100%
• Cluster Interaction 100%
• Monte Carlo Method 33%
• Environmental Samples 33%
• Transition Temperature 33%
• Bound Form 33%
• Muffins 33%
• Tight-binding 33%
• V-system 33%
• Monte Carlo Simulation Method 33%
• Concentration-independent 33%
• Fast Monte Carlo 33%

Chemistry

• Ab Initio Calculation 100%
• Face-Centered Cubic Crystal System 100%
• Superlattice 100%
• Phase Diagrams 100%
• Ground State 33%
• Monte Carlo Method 33%
• Tin 33%