Molecular dynamics study of hcp-fcc nucleation and growth in bcc iron driven by uniaxial strain - Condensed Matter > Materials ScienceReport as inadecuate




Molecular dynamics study of hcp-fcc nucleation and growth in bcc iron driven by uniaxial strain - Condensed Matter > Materials Science - Download this document for free, or read online. Document in PDF available to download.

Abstract: Molecular dynamics simulations are performed to investigate the structuralphase transition in body-centered cubic bcc single crystal iron under highstrain rate loading. We study the nucleation and growth of thehexagonal-close-packed hcp and face-centered-cubic fcc phases, and theircrystal orientation dependence. Results reveal that the transition pressuresare less dependent on the crystal orientations $\mathtt{\sim}$14 GPa forloading along 001, 011, and 111 directions. However, the pressureinterval of mixed phase for 011 loading is much shorter than loading alongother orientations. And the temperature increased amplitude for 001 loadingis evidently lower than other orientations. The hcp-fcc nucleation process ispresented by the topological medium-range-order analysis. For loading along001 direction, we find that the hcp structure occurs firstly and grows intolaminar morphology in the 011$ {\text{bcc}}$ planes with a little fcc atomsas intermediate structure. For loading along 011 and 111 directions, boththe hcp and fcc structures nucleation and growth along the\{110\}$ {\text{bcc}}$ planes are observed, whose morphology is also discussed.



Author: Baotian Wang, Jianli Shao, Guangcai Zhang, Weidong Li, Ping Zhang

Source: https://arxiv.org/



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