Dynamics Atoms 3 Calculations 3 Electronic structure 3 Finite element method 3 Lattice vibrations 3 Phonons 3 18 valance electron count rule 2 Aliovalent substitution 2 Boltzmann equation 2 Density functional theory 2 Density-functional-theory 2 Electron count 2 Electrons 2 Energy gap 2 Equations of motion 2 First principles 2 Hafnium alloys 2 Half heusler alloy 2 Half-Heusler alloys 2 L-values 2 Numerical simulation 2 Pentanary 2 Perturbation techniques 2 Phonon scattering 2 Structural health monitoring 2 Ternary alloys 2 Thermal conductivity 2 Thermoelectric transport properties 2 Titanium alloys 2