Fundamentals of Mechanical Behavior in Intermetallic Compounds — A Synthesis of Atomistic and Continuum Modeling

@inproceedings{Fu1992FundamentalsOM,
  title={Fundamentals of Mechanical Behavior in Intermetallic Compounds — A Synthesis of Atomistic and Continuum Modeling},
  author={C. L. Fu and Man Hyong Yoo},
  year={1992}
}
The fundamental aspects of deformation and fracture behavior of ordered intermetallics were investigated on the basis of quantum mechanical total-energy calculations and anisotropic elasticity theory for dislocations and cracks. These first-principles calculations were based on the local-density functional (LDF) theory. The LDF equations are solved either by full-potential linearized augmented plane-wave (FLAPW) method or by mixed-basis pseudopotential method. Our approach represents a major… CONTINUE READING