Structural, vibrational, and thermodynamic properties of ordered and disordered Ni_1-xPt_x alloys from first-principles calculations

Keyphrases

• Disordered Alloys 100%
• Special Quasirandom Structures 33%
• Ordered Alloys 33%
• Configurational Entropy 16%
• Magnetic Moment 16%
• Vibrational Entropy 16%
• Quasi-harmonic 16%
• Expansion Prediction 16%
• Volume Variation 16%
• Elastic Stiffness Constant 16%
• Atomic Pair 16%
• Bond Length Distribution 16%
• Long Bond 16%
• Positive Deviation 16%
• Cluster Expansion 16%
• First-principles Phonon Calculations 16%
• Pt Content 16%

Material Science

• Elastic Moduli 100%
• Density 50%

Physics

• Phonon Density of State 50%
• Force Constant 50%