Effects of copper on BCC-FCC phase transition of tungsten under compression and shear deformation

LY Yang and L Sun and CP Liang and HR Gong, PHYSICA B-CONDENSED MATTER, 670, 415352 (2023).

DOI: 10.1016/j.physb.2023.415352

Based on our newly constructed W-Cu potential, pure W and W-Cu alloys are simulated with compression and shear deformation to reveal the fundamental mechanisms of the BCC-FCC phase transition. It is found that the BCC-FCC phase transition of W have two different mechanisms, i.e., BCC W transforms into FCC W by the Bain and Nishiyama-Wassermann (NW) paths under compression and shear deformations, respectively. Simulations also reveal that the addition of Cu promotes the BCC-FCC phase transition of W through the NW path, while it prevents the BCC-FCC phase transition through the Bain path. Moreover, the slips of 16aBCC011BCC(011)BCC and 6aBCC011BCC(011)BCC on both sides initially bring about the nucleation and growth of FCC W. The corresponding 1 topological models, volumetric strain, as well as the changes of lengths and total energies are also discussed to provide a fundamental understanding of the intrinsic mechanism of the BCC-FCC phase transition.

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