Quantifying the anomalous self-diffusion in molybdenum with first-principles simulations

Impurity diffusion activation energies in Al from first principles

(2009) Darko Simonovic et al.   PHYSICAL REVIEW B

First-Principles Calculations of Free Energies of Unstable Phases: The Case of fcc W

(2009) V. Ozolins   PHYSICAL REVIEW LETTERS

The AM05 density functional applied to solids

(2008) Ann E. Mattsson et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles solution to the problem of Mo lattice stability

(2008) C. Asker et al.   PHYSICAL REVIEW B

Electronic Selection Rules Controlling Dislocation Glide in bcc Metals

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First-Principles Calculation of Self-Diffusion Coefficients

(2008) M. Mantina et al.   PHYSICAL REVIEW LETTERS