Keyphrases
First-principles Calculations
100%
Diffusion Coefficient
100%
First-principles Study
100%
Alloying Elements
100%
Solute
66%
Solute Migration
66%
Vibrational Properties
66%
Hexagonal Close-packed
66%
Migration Barrier
66%
Transition Metal Atoms
33%
Temperature Effect
33%
Correlation Effects
33%
Density Functional Theory
33%
Vacancy Formation Energy
33%
Strong Interaction
33%
Tracer Diffusion
33%
Transition State Theory
33%
Minimum Energy Pathway
33%
Nudged Elastic Band Method
33%
D Electrons
33%
Energy Properties
33%
Bulk Modulus
33%
Generalized Gradient Approximation
33%
Solute Diffusion
33%
Diffusion Activation Energy
33%
PBEsol
33%
Point Configuration
33%
Climbing Image nudged Elastic Band
33%
Quasi-harmonic Debye Model
33%
Frequency Model
33%
Large Diffusion
33%
Material Science
Alloying
100%
Diffusivity
100%
Magnesium Alloys
100%
Density
25%
Transition Metal
25%
Elastic Moduli
25%
Activation Energy
25%
Engineering
Diffusion Coefficient
100%
Alloying Element
100%
Activation Energy
25%
Strong Interaction
25%
Nudged Elastic Band Method
25%
Saddle Point
25%
Generalized Gradient Approximation
25%
Bulk Modulus
25%
Formation Energy
25%
Chemical Engineering
Diffusion
100%
Alloying Element
100%
Transition Metal
25%