Materials Science Forum, Vol.482, 131-134, 2005
Ductile-brittle behavior of microcracks in 3D
Results of several parallel molecular dynamics crack simulations in bcc iron crystals with up to 128 million atoms are presented. The crack (001)[010] of Griffith type is loaded in Mode I. We observe dislocation emission and twinning near the free sample surfaces and later plastically induced crack initiation.
Keywords:bcc iron;parallel molecular dynamics