Title : Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations.

Pub. Date : 2010 Nov 3

PMID : 21403328






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1 Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations. Iron protein tyrosine phosphatase non-receptor type 6 Homo sapiens
2 By classical molecular dynamics simulations employing an embedded atom method potential, we have simulated the bcc to hcp/fcc structural transition in single-crystal iron under uniform compression. Iron protein tyrosine phosphatase non-receptor type 6 Homo sapiens
3 We have investigated the transition mechanism of iron from initial bcc to hcp/fcc and found that the transition mainly consists of compression, rotation, and shuffle. Iron protein tyrosine phosphatase non-receptor type 6 Homo sapiens