Finite-temperature thermodynamic and vibrational properties of Al-Ni-Y compounds via first-principles calculations

Engineering & Materials Science

• Spin polarization 100%
• Electronic density of states 92%
• Thermodynamic properties 89%
• Lattice vibrations 88%
• Ground state 71%
• Density functional theory 71%
• Enthalpy 48%
• Temperature 38%
• Hot Temperature 22%

Chemical Compounds

• Thermodynamic Property 84%
• Spin Polarization 64%
• Pseudopotential 60%
• Density of State 51%
• Enthalpy of Formation 45%
• Ground State 37%
• Space Group 35%
• Density Functional Theory 29%
• Ambient Reaction Temperature 26%
• Energy 22%