Ab Initio Based Understanding of the Segregation and Diffusion Mechanisms of Hydrogen in Steels

Ab initiostudy of H-vacancy interactions in fcc metals: Implications for the formation of superabundant vacancies

(2014) R. Nazarov et al.   PHYSICAL REVIEW B

Interplay between hydrogen and vacancies inα-Fe

(2013) Erin Hayward et al.   PHYSICAL REVIEW B

Hydrogen-enhanced local plasticity at dilute bulk H concentrations: The role of H–H interactions and the formation of local hydrides

(2011) Johann von Pezold et al.   ACTA MATERIALIA

Advancing density functional theory to finite temperatures: methods and applications in steel design

(2011) T Hickel et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles study on the interaction of H interstitials with grain boundaries inα- andγ-Fe

(2011) Yaojun A. Du et al.   PHYSICAL REVIEW B

Ab initiostudy of the solubility and kinetics of hydrogen in austenitic high Mn steels

(2010) L. Ismer et al.   PHYSICAL REVIEW B

First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron

(2010) R. Nazarov et al.   PHYSICAL REVIEW B

Interatomic potentials for hydrogen inα–iron based on density functional theory

(2009) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B