M. C. Andrade

most citedAb-initio molecular dynamics simulation of hydrogen diffusion in

α

-iron

73 citations · 74 across the 2 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

2 papers · 1 filter

cond-mat.mtrl-sci2011★ 73 cited

Ab-initio molecular dynamics simulation of hydrogen diffusion in $α$ -iron

J. Sanchez, F. Fullea, M. C. Andrade +1

First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $α$ -iron. H…

cond-mat.mtrl-sci2011★ 1 cited

Cubic to hexagonal iron phase transition promoted by interstitial hydrogen

A. Castedo, J. Sanchez, J. Fullea +2

Using ab-initio density functional theory we study the role of interstitial hydrogen on the energetics of the phase transformation of iron from bcc to hcp along Bain's pathway. The…

Ab-initio molecular dynamics simulation of hydrogen diffusion in α-iron

Cubic to hexagonal iron phase transition promoted by interstitial hydrogen

Ab-initio molecular dynamics simulation of hydrogen diffusion in $α$ -iron