Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

Keyphrases

• Ab Initio Calculations 100%
• Solute 100%
• Lattice Parameter 100%
• Bcc Fe 100%
• Elastic Stiffness Coefficients 100%
• Single Crystal 16%
• Density Functional Theory 8%
• Predictive Ability 8%
• Computationally Efficient 8%
• Ductility 8%
• Young's Modulus 8%
• Misfit 8%
• Shear Modulus 8%
• Volumetric Change 8%
• Direct Calculation 8%
• Changes in Mechanical Properties 8%
• Chemical Bond 8%
• Comparison with Experimental Data 8%
• Mesoscale Models 8%
• Elastic Stiffness 8%
• Supercells 8%
• Solute Effects 8%
• Elastic Coefficient 8%
• CuMn 8%
• Stiffness Contribution 8%

Engineering

• Elastic Stiffness 100%
• Lattice Constant 100%
• Lattice Parameter 100%
• Induced Change 50%
• Polycrystalline 16%
• Mesoscale 16%
• Young's Modulus 16%
• Predictive Capability 16%
• Supercell 16%
• Elastic Coefficient 16%

Material Science

• Ab Initio Calculation 100%
• Lattice Constant 100%
• Single Crystal 50%
• Density 25%
• Young's Modulus 25%
• Chemical Bonding 25%