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Molecular dynamics simulations of stress-induced phase transformations and grain nucleation at crack tips in Fe
2003
Modelling and Simulation in Materials Science and Engineering
The molecular dynamics simulation technique is used to study a stressinduced new grain formation mechanism at the crack tip of a nanocrystalline α-iron sample at temperatures ranging from 100 to 600 K. The stress-induced formation of new bcc grains, created inside existing grains, is found to occur through a metastable bcc to fcc phase transformation at the crack tip of the sample. A Nishiyama-Wassermann orientation relationship is found between the original bcc grain and the fcc phase and a
doi:10.1088/0965-0393/11/5/303
fatcat:dkrqvs3x7ne75kmmtzd3i4hrqi