Abstracts

Configurational Entropy of Mixing of Interstitial Solid Solutions
a.41

Defect Properties via Density Functional Supercell Calculations
a.42

Density Functional Theory Calculation of Defect Energies
a.43

Donor Level of Interstitial Hydrogen in Semiconductors
a.44

First-Principles Calculations for Defects
a.45

Fokker Planck Approach for Modelling of Nano-Structural Defects
a.46

Kinetic Monte Carlo Simulation of Oxygen Vacancy Diffusion
a.47

New Mechanism for the Formation of Vacancy Voids
a.48

Numerical Analysis of Vacancy Transport by Residual Stress
a.49

HomeDefect and Diffusion ForumDefects and Diffusion, Theory & Simulation IIFirst-Principles Calculations for Defects

First-Principles Calculations for Defects

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