Crack Tip Deformation Mechanisms in hcp Zr with and without Dilute H Impurities

MARGARITA RUDA; GRACIELA BERTOLINO; DIANA FARKAS; ALBERTO BARUJ

Orlando

Conferencia; TMS 2012; 2012

TMS

We present a study of the atomic scale deformation mechanismsoccurring at the crack tip in hcp Zr with and without a dilute amountof H present.Mode I crack propagation was studied using EAMpotentials and atomistic simulation techniques. The results show a varietyof deformation mechanisms, including twinning and hcp to bcc phasetransformations near the crack tip. H impurities were placed at differentdistances from the crack tip significantly affecting the competition amongthe various deformation mechanisms involved in the crack propagationprocess. In particular, the presence of H modified the extent of the hcpto bcc transformation region leading to an increase in ductility in somesingle crystal configurations.