A prediction of the thermodynamic, thermophysical, and mechanical properties of CrTaO₄ from first principles

Chemical Compounds

• I41md 100%
• Phonon 57%
• Rutile 50%
• Refractory Alloys 45%
• Helmholtz Free Energy 41%
• Elasticity Constant 35%
• Thermodynamics 31%
• Phase Stability 30%
• Volume 29%
• Thermal Expansion 27%
• Refractory 26%
• Thermal Conductivity 24%
• Oxidation Reaction 22%
• Polycrystalline Solid 22%
• Thermodynamic Property 22%
• Velocity 21%
• Melting Point 21%
• Molecular Dynamics 18%
• Alloy 17%
• Simulation 16%
• Resistance 16%
• Density Functional Theory 15%
• Oxide 13%

Engineering & Materials Science

• Thermodynamic properties 47%
• Refractory alloys 35%
• Mechanical properties 33%
• Phonons 32%
• Temperature 20%
• High-entropy alloys 15%
• Density functional theory 15%
• Phase stability 14%
• Elastic constants 13%
• Dispersions 13%
• Oxidation resistance 12%
• Free energy 12%
• Molecular dynamics 11%
• Melting point 10%
• Thermal expansion 10%
• Thermal conductivity 9%
• Oxidation 9%
• Oxides 8%
• Computer simulation 5%
• Hot Temperature 4%