Energy landscape of small clusters of self-interstitial dumbbells in iron

Free energy reconstruction from steered dynamics without post-processing

(2010) Manuel Athènes et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Atomistic study of multimechanism diffusion by self-interstitial defects in α-Fe

(2010) N Anento et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Unfaulting mechanism of trapped self-interstitial atom clusters in bcc Fe: A kinetic study based on the potential energy landscape

(2010) Yue Fan et al.   PHYSICAL REVIEW B

Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission

(2010) X. M. Bai et al.   SCIENCE

Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces

(2009) E. Cancès et al.   JOURNAL OF CHEMICAL PHYSICS

Lowest energy structures of self-interstitial atom clusters in α-iron from a combination of Langevin molecular dynamics and the basin-hopping technique

(2009) Y. Abe et al.   PHILOSOPHICAL MAGAZINE

Free energy of a⟨110⟩dumbbell interstitial defect in bcc Fe: Harmonic and anharmonic contributions

(2009) S. Chiesa et al.   PHYSICAL REVIEW B

Effect of theα−γPhase Transition on the Stability of Dislocation Loops in bcc Iron

(2008) S. L. Dudarev et al.   PHYSICAL REVIEW LETTERS

Self-Trapped Interstitial-Type Defects in Iron

(2008) D. A. Terentyev et al.   PHYSICAL REVIEW LETTERS